Molecule Information

General Information of the Molecule (ID: Mol00092)
Name
Isocitrate dehydrogenase NADP 2 (IDH2) ,Homo sapiens
Synonyms
IDH; ICD-M; IDP; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase
    Click to Show/Hide
Molecule Type
Protein
Gene Name
IDH2
Gene ID
3418
Location
chr15:90083045-90102477[-]
Sequence
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTR
IIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDE
ARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYK
ATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAI
QKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKS
SGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQK
GRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIH
GLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
    Click to Show/Hide
Function
Plays a role in intermediary metabolism and energy production. It may tightly associate or interact with the pyruvate dehydrogenase complex.
    Click to Show/Hide
Uniprot ID
IDHP_HUMAN
Ensembl ID
ENSG00000182054
HGNC ID
HGNC:5383
        Click to Show/Hide the Complete Species Lineage
Kingdom: Metazoa
Phylum: Chordata
Class: Mammalia
Order: Primates
Family: Hominidae
Genus: Homo
Species: Homo sapiens
Type(s) of Resistant Mechanism of This Molecule with Structure Alteration
  ADTT: Aberration of the Drug's Therapeutic Target
  EADR: Epigenetic Alteration of DNA, RNA or Protein
Drug Resistance Data Categorized by Drug
Clinical Trial Drug(s)
1 drug(s) in total
Click to Show/Hide the Full List of Drugs
Enasidenib
Click to Show/Hide
Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
  Aberration of the Drug's Therapeutic Target (ADTT) Click to Show/Hide
Disease Class: Hematologic Cancer [ICD-11: MG24.Y] [1]
Sensitive Disease Hematologic Cancer [ICD-11: MG24.Y]
 Disease Info 
Sensitive Drug Enasidenib
 Drug Info 
Molecule Alteration Missense mutation
p.R172K (c.515G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 1.93  Å
PDB: 5GIS
Mutant Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
   Download The Information of Sequence       Download The Structure File   
RMSD: 1.13
TM score: 0.29352
Amino acid change:
R172K
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
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Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
Disease Class: Acute myeloid leukemia [ICD-11: 2A60.0] [2]
Sensitive Disease Acute myeloid leukemia [ICD-11: 2A60.0]
 Disease Info 
Sensitive Drug Enasidenib
 Drug Info 
Molecule Alteration Missense mutation
p.R172K (c.515G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 1.93  Å
PDB: 5GIS
Mutant Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
   Download The Information of Sequence       Download The Structure File   
RMSD: 1.13
TM score: 0.29352
Amino acid change:
R172K
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
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Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
In Vitro Model U87MG cells Brain Homo sapiens (Human) CVCL_GP63
TF-1 cells Bone marrow Homo sapiens (Human) CVCL_0559
In Vivo Model Acute myeloid leukemia xenograft mouse model Mus musculus
Experiment for
Drug Resistance		 IC50 assay
Disease Class: Acute myeloid leukemia [ICD-11: 2A60.0] [2]
Sensitive Disease Acute myeloid leukemia [ICD-11: 2A60.0]
 Disease Info 
Sensitive Drug Enasidenib
 Drug Info 
Molecule Alteration Missense mutation
p.R140Q (c.419G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
Mutant Type Structure Method: X-ray diffraction Resolution: 1.54  Å
PDB: 5I95
   Download The Information of Sequence       Download The Structure File   
RMSD: 0.33
TM score: 0.99798
Amino acid change:
R140Q
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
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G
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F
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R
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E
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R
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Y
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K
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A
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D
G
G
S
S
G
G
V
V
K
K
E
E
W
W
E
E
V
V
210
|
Y
Y
N
N
F
F
P
P
A
A
G
G
G
G
V
V
G
G
M
M
220
|
G
G
M
M
Y
Y
N
N
T
T
D
D
E
E
S
S
I
I
S
S
230
|
G
G
F
F
A
A
H
H
S
S
C
C
F
F
Q
Q
Y
Y
A
A
240
|
I
I
Q
Q
K
K
K
K
W
W
P
P
L
L
Y
Y
M
M
S
S
250
|
T
T
K
K
N
N
T
T
I
I
L
L
K
K
A
A
Y
Y
D
D
260
|
G
G
R
R
F
F
K
K
D
D
I
I
F
F
Q
Q
E
E
I
I
270
|
F
F
D
D
K
K
H
H
Y
Y
K
K
T
T
D
D
F
F
D
D
280
|
K
K
N
N
K
K
I
I
W
W
Y
Y
E
E
H
H
R
R
L
L
290
|
I
I
D
D
D
D
M
M
V
V
A
A
Q
Q
V
V
L
L
K
K
300
|
S
S
S
S
G
G
G
G
F
F
V
V
W
W
A
A
C
C
K
K
310
|
N
N
Y
Y
D
D
G
G
D
D
V
V
Q
Q
S
S
D
D
I
I
320
|
L
L
A
A
Q
Q
G
G
F
F
G
G
S
S
L
L
G
G
L
L
330
|
M
M
T
T
S
S
V
V
L
L
V
V
C
C
P
P
D
D
G
G
340
|
K
K
T
T
I
I
E
E
A
A
E
E
A
A
A
A
H
H
G
G
350
|
T
T
V
V
T
T
R
R
H
H
Y
Y
R
R
E
E
H
H
Q
Q
360
|
K
K
G
G
R
R
P
P
T
T
S
S
T
T
N
N
P
P
I
I
370
|
A
A
S
S
I
I
F
F
A
A
W
W
T
T
R
R
G
G
L
L
380
|
E
E
H
H
R
R
G
G
K
K
L
L
D
D
G
G
N
N
Q
Q
390
|
D
D
L
L
I
I
R
R
F
F
A
A
Q
Q
M
M
L
L
E
E
400
|
K
K
V
V
C
C
V
V
E
E
T
T
V
V
E
E
S
S
G
G
410
|
A
A
M
M
T
T
K
K
D
D
L
L
A
A
G
G
C
C
I
I
420
|
H
H
G
G
L
L
S
S
N
N
V
V
K
K
L
L
N
N
E
E
430
|
H
H
F
F
L
L
N
N
T
T
T
T
D
D
F
F
L
L
D
D
440
|
T
T
I
I
K
K
S
S
N
N
L
L
D
D
R
R
A
A
L
L
450
|
G
G
R
R
Q
Q
S
L
L
E
E
H
H
H
H
H
H
H
H
H
460
|
H
H
H
H
H
H
H
-
Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
In Vitro Model U87MG cells Brain Homo sapiens (Human) CVCL_GP63
TF-1 cells Bone marrow Homo sapiens (Human) CVCL_0559
In Vivo Model Acute myeloid leukemia xenograft mouse model Mus musculus
Experiment for
Drug Resistance		 IC50 assay
  Epigenetic Alteration of DNA, RNA or Protein (EADR) Click to Show/Hide
Disease Class: FGFR-tacc positive glioblastoma [ICD-11: 2A00.01] [3]
Sensitive Disease FGFR-tacc positive glioblastoma [ICD-11: 2A00.01]
 Disease Info 
Sensitive Drug Enasidenib
 Drug Info 
Molecule Alteration Missense mutation
p.R172K (c.515G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 1.93  Å
PDB: 5GIS
Mutant Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
   Download The Information of Sequence       Download The Structure File   
RMSD: 1.13
TM score: 0.29352
Amino acid change:
R172K
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
-
40
|
-
A
-
D
-
K
-
R
-
I
-
K
-
V
-
A
-
K
-
P
50
|
-
V
-
V
-
E
-
M
-
D
-
G
-
D
-
E
-
M
-
T
60
|
-
R
-
I
-
I
-
W
-
Q
-
F
-
I
-
K
-
E
-
K
70
|
-
L
-
I
-
L
-
P
-
H
-
V
-
D
-
I
-
Q
-
L
80
|
-
K
-
Y
-
F
-
D
-
L
-
G
-
L
-
P
-
N
-
R
90
|
-
D
-
Q
-
T
-
D
-
D
-
Q
-
V
-
T
-
I
-
D
100
|
-
S
-
A
-
L
-
A
-
T
-
Q
-
K
-
Y
-
S
-
V
110
|
-
A
-
V
-
K
-
C
-
A
-
T
-
I
-
T
-
P
-
D
120
|
-
E
-
A
-
R
-
V
-
E
-
E
-
F
-
K
-
L
-
K
130
|
-
K
-
M
-
W
-
K
-
S
-
P
-
N
-
G
-
T
-
I
140
|
-
R
-
N
-
I
-
L
-
G
-
G
-
T
-
V
-
F
-
R
150
|
-
E
-
P
-
I
-
I
-
C
-
K
-
N
-
I
-
P
-
R
160
|
-
L
-
V
-
P
-
G
-
W
T
T
K
K
P
P
I
I
T
T
170
|
I
I
G
G
S
K
H
H
A
A
H
H
G
G
D
D
Q
Q
Y
Y
180
|
K
K
-
A
-
T
-
D
-
F
-
V
-
A
-
D
-
R
-
A
190
|
-
G
-
T
-
F
-
K
-
M
-
V
-
F
-
T
-
P
-
K
200
|
-
D
-
G
-
S
-
G
-
V
-
K
-
E
-
W
-
E
-
V
210
|
-
Y
-
N
-
F
-
P
-
A
-
G
-
G
-
V
-
G
-
M
220
|
-
G
-
M
-
Y
-
N
-
T
-
D
-
E
-
S
-
I
-
S
230
|
-
G
-
F
-
A
-
H
-
S
-
C
-
F
-
Q
-
Y
-
A
240
|
-
I
-
Q
-
K
-
K
-
W
-
P
-
L
-
Y
-
M
-
S
250
|
-
T
-
K
-
N
-
T
-
I
-
L
-
K
-
A
-
Y
-
D
260
|
-
G
-
R
-
F
-
K
-
D
-
I
-
F
-
Q
-
E
-
I
270
|
-
F
-
D
-
K
-
H
-
Y
-
K
-
T
-
D
-
F
-
D
280
|
-
K
-
N
-
K
-
I
-
W
-
Y
-
E
-
H
-
R
-
L
290
|
-
I
-
D
-
D
-
M
-
V
-
A
-
Q
-
V
-
L
-
K
300
|
-
S
-
S
-
G
-
G
-
F
-
V
-
W
-
A
-
C
-
K
310
|
-
N
-
Y
-
D
-
G
-
D
-
V
-
Q
-
S
-
D
-
I
320
|
-
L
-
A
-
Q
-
G
-
F
-
G
-
S
-
L
-
G
-
L
330
|
-
M
-
T
-
S
-
V
-
L
-
V
-
C
-
P
-
D
-
G
340
|
-
K
-
T
-
I
-
E
-
A
-
E
-
A
-
A
-
H
-
G
350
|
-
T
-
V
-
T
-
R
-
H
-
Y
-
R
-
E
-
H
-
Q
360
|
-
K
-
G
-
R
-
P
-
T
-
S
-
T
-
N
-
P
-
I
370
|
-
A
-
S
-
I
-
F
-
A
-
W
-
T
-
R
-
G
-
L
380
|
-
E
-
H
-
R
-
G
-
K
-
L
-
D
-
G
-
N
-
Q
390
|
-
D
-
L
-
I
-
R
-
F
-
A
-
Q
-
M
-
L
-
E
400
|
-
K
-
V
-
C
-
V
-
E
-
T
-
V
-
E
-
S
-
G
410
|
-
A
-
M
-
T
-
K
-
D
-
L
-
A
-
G
-
C
-
I
420
|
-
H
-
G
-
L
-
S
-
N
-
V
-
K
-
L
-
N
-
E
430
|
-
H
-
F
-
L
-
N
-
T
-
T
-
D
-
F
-
L
-
D
440
|
-
T
-
I
-
K
-
S
-
N
-
L
-
D
-
R
-
A
-
L
450
|
-
G
-
R
-
Q
-
S
-
L
-
E
-
H
-
H
-
H
-
H
460
|
-
H
-
H
-
H
-
H
Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
In Vitro Model U87MG cells Brain Homo sapiens (Human) CVCL_GP63
TF-1 cells Bone marrow Homo sapiens (Human) CVCL_0559
TF-1a cells Bone marrow Homo sapiens (Human) CVCL_3608
IDH2 cells Ovary Homo sapiens (Human) CVCL_D3DY
In Vivo Model NSG mouse PDX model Mus musculus
Mechanism Description Somatic gain-of-function mutations in isocitrate dehydrogenases (IDH) 1 and 2 are found in multiple hematologic and solid tumors, leading to accumulation of the oncometabolite (R)-2-hydroxyglutarate (2HG). 2HG competitively inhibits alpha-ketoglutarate-dependent dioxygenases, including histone demethylases and methylcytosine dioxygenases of the TET family, causing epigenetic dysregulation and a block in cellular differentiation.
Disease Class: Colorectal cancer [ICD-11: 2B91.1] [3]
Sensitive Disease Colorectal cancer [ICD-11: 2B91.1]
 Disease Info 
Sensitive Drug Enasidenib
 Drug Info 
Molecule Alteration Missense mutation
p.R172K (c.515G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 1.93  Å
PDB: 5GIS
Mutant Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
   Download The Information of Sequence       Download The Structure File   
RMSD: 1.13
TM score: 0.29352
Amino acid change:
R172K
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
-
40
|
-
A
-
D
-
K
-
R
-
I
-
K
-
V
-
A
-
K
-
P
50
|
-
V
-
V
-
E
-
M
-
D
-
G
-
D
-
E
-
M
-
T
60
|
-
R
-
I
-
I
-
W
-
Q
-
F
-
I
-
K
-
E
-
K
70
|
-
L
-
I
-
L
-
P
-
H
-
V
-
D
-
I
-
Q
-
L
80
|
-
K
-
Y
-
F
-
D
-
L
-
G
-
L
-
P
-
N
-
R
90
|
-
D
-
Q
-
T
-
D
-
D
-
Q
-
V
-
T
-
I
-
D
100
|
-
S
-
A
-
L
-
A
-
T
-
Q
-
K
-
Y
-
S
-
V
110
|
-
A
-
V
-
K
-
C
-
A
-
T
-
I
-
T
-
P
-
D
120
|
-
E
-
A
-
R
-
V
-
E
-
E
-
F
-
K
-
L
-
K
130
|
-
K
-
M
-
W
-
K
-
S
-
P
-
N
-
G
-
T
-
I
140
|
-
R
-
N
-
I
-
L
-
G
-
G
-
T
-
V
-
F
-
R
150
|
-
E
-
P
-
I
-
I
-
C
-
K
-
N
-
I
-
P
-
R
160
|
-
L
-
V
-
P
-
G
-
W
T
T
K
K
P
P
I
I
T
T
170
|
I
I
G
G
S
K
H
H
A
A
H
H
G
G
D
D
Q
Q
Y
Y
180
|
K
K
-
A
-
T
-
D
-
F
-
V
-
A
-
D
-
R
-
A
190
|
-
G
-
T
-
F
-
K
-
M
-
V
-
F
-
T
-
P
-
K
200
|
-
D
-
G
-
S
-
G
-
V
-
K
-
E
-
W
-
E
-
V
210
|
-
Y
-
N
-
F
-
P
-
A
-
G
-
G
-
V
-
G
-
M
220
|
-
G
-
M
-
Y
-
N
-
T
-
D
-
E
-
S
-
I
-
S
230
|
-
G
-
F
-
A
-
H
-
S
-
C
-
F
-
Q
-
Y
-
A
240
|
-
I
-
Q
-
K
-
K
-
W
-
P
-
L
-
Y
-
M
-
S
250
|
-
T
-
K
-
N
-
T
-
I
-
L
-
K
-
A
-
Y
-
D
260
|
-
G
-
R
-
F
-
K
-
D
-
I
-
F
-
Q
-
E
-
I
270
|
-
F
-
D
-
K
-
H
-
Y
-
K
-
T
-
D
-
F
-
D
280
|
-
K
-
N
-
K
-
I
-
W
-
Y
-
E
-
H
-
R
-
L
290
|
-
I
-
D
-
D
-
M
-
V
-
A
-
Q
-
V
-
L
-
K
300
|
-
S
-
S
-
G
-
G
-
F
-
V
-
W
-
A
-
C
-
K
310
|
-
N
-
Y
-
D
-
G
-
D
-
V
-
Q
-
S
-
D
-
I
320
|
-
L
-
A
-
Q
-
G
-
F
-
G
-
S
-
L
-
G
-
L
330
|
-
M
-
T
-
S
-
V
-
L
-
V
-
C
-
P
-
D
-
G
340
|
-
K
-
T
-
I
-
E
-
A
-
E
-
A
-
A
-
H
-
G
350
|
-
T
-
V
-
T
-
R
-
H
-
Y
-
R
-
E
-
H
-
Q
360
|
-
K
-
G
-
R
-
P
-
T
-
S
-
T
-
N
-
P
-
I
370
|
-
A
-
S
-
I
-
F
-
A
-
W
-
T
-
R
-
G
-
L
380
|
-
E
-
H
-
R
-
G
-
K
-
L
-
D
-
G
-
N
-
Q
390
|
-
D
-
L
-
I
-
R
-
F
-
A
-
Q
-
M
-
L
-
E
400
|
-
K
-
V
-
C
-
V
-
E
-
T
-
V
-
E
-
S
-
G
410
|
-
A
-
M
-
T
-
K
-
D
-
L
-
A
-
G
-
C
-
I
420
|
-
H
-
G
-
L
-
S
-
N
-
V
-
K
-
L
-
N
-
E
430
|
-
H
-
F
-
L
-
N
-
T
-
T
-
D
-
F
-
L
-
D
440
|
-
T
-
I
-
K
-
S
-
N
-
L
-
D
-
R
-
A
-
L
450
|
-
G
-
R
-
Q
-
S
-
L
-
E
-
H
-
H
-
H
-
H
460
|
-
H
-
H
-
H
-
H
Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
In Vitro Model U87MG cells Brain Homo sapiens (Human) CVCL_GP63
TF-1 cells Bone marrow Homo sapiens (Human) CVCL_0559
TF-1a cells Bone marrow Homo sapiens (Human) CVCL_3608
IDH2 cells Ovary Homo sapiens (Human) CVCL_D3DY
In Vivo Model NSG mouse PDX model Mus musculus
Mechanism Description Somatic gain-of-function mutations in isocitrate dehydrogenases (IDH) 1 and 2 are found in multiple hematologic and solid tumors, leading to accumulation of the oncometabolite (R)-2-hydroxyglutarate (2HG). 2HG competitively inhibits alpha-ketoglutarate-dependent dioxygenases, including histone demethylases and methylcytosine dioxygenases of the TET family, causing epigenetic dysregulation and a block in cellular differentiation.
Disease Class: FGFR-tacc positive glioblastoma [ICD-11: 2A00.01] [3]
Sensitive Disease FGFR-tacc positive glioblastoma [ICD-11: 2A00.01]
 Disease Info 
Sensitive Drug Enasidenib
 Drug Info 
Molecule Alteration Missense mutation
p.R140Q (c.419G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
Mutant Type Structure Method: X-ray diffraction Resolution: 1.54  Å
PDB: 5I95
   Download The Information of Sequence       Download The Structure File   
RMSD: 0.33
TM score: 0.99798
Amino acid change:
R140Q
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
-
-
M
40
|
A
A
D
D
K
K
R
R
I
I
K
K
V
V
A
A
K
K
P
P
50
|
V
V
V
V
E
E
M
M
D
D
G
G
D
D
E
E
M
M
T
T
60
|
R
R
I
I
I
I
W
W
Q
Q
F
F
I
I
K
K
E
E
K
K
70
|
L
L
I
I
L
L
P
P
H
H
V
V
D
D
I
I
Q
Q
L
L
80
|
K
K
Y
Y
F
F
D
D
L
L
G
G
L
L
P
P
N
N
R
R
90
|
D
D
Q
Q
T
T
D
D
D
D
Q
Q
V
V
T
T
I
I
D
D
100
|
S
S
A
A
L
L
A
A
T
T
Q
Q
K
K
Y
Y
S
S
V
V
110
|
A
A
V
V
K
K
C
C
A
A
T
T
I
I
T
T
P
P
D
D
120
|
E
E
A
A
R
R
V
V
E
E
E
E
F
F
K
K
L
L
K
K
130
|
K
K
M
M
W
W
K
K
S
S
P
P
N
N
G
G
T
T
I
I
140
|
R
Q
N
N
I
I
L
L
G
G
G
G
T
T
V
V
F
F
R
R
150
|
E
E
P
P
I
I
I
I
C
C
K
K
N
N
I
I
P
P
R
R
160
|
L
L
V
V
P
P
G
G
W
W
T
T
K
K
P
P
I
I
T
T
170
|
I
I
G
G
K
R
H
H
A
A
H
H
G
G
D
D
Q
Q
Y
Y
180
|
K
K
A
A
T
T
D
D
F
F
V
V
A
A
D
D
R
R
A
A
190
|
G
G
T
T
F
F
K
K
M
M
V
V
F
F
T
T
P
P
K
K
200
|
D
D
G
G
S
S
G
G
V
V
K
K
E
E
W
W
E
E
V
V
210
|
Y
Y
N
N
F
F
P
P
A
A
G
G
G
G
V
V
G
G
M
M
220
|
G
G
M
M
Y
Y
N
N
T
T
D
D
E
E
S
S
I
I
S
S
230
|
G
G
F
F
A
A
H
H
S
S
C
C
F
F
Q
Q
Y
Y
A
A
240
|
I
I
Q
Q
K
K
K
K
W
W
P
P
L
L
Y
Y
M
M
S
S
250
|
T
T
K
K
N
N
T
T
I
I
L
L
K
K
A
A
Y
Y
D
D
260
|
G
G
R
R
F
F
K
K
D
D
I
I
F
F
Q
Q
E
E
I
I
270
|
F
F
D
D
K
K
H
H
Y
Y
K
K
T
T
D
D
F
F
D
D
280
|
K
K
N
N
K
K
I
I
W
W
Y
Y
E
E
H
H
R
R
L
L
290
|
I
I
D
D
D
D
M
M
V
V
A
A
Q
Q
V
V
L
L
K
K
300
|
S
S
S
S
G
G
G
G
F
F
V
V
W
W
A
A
C
C
K
K
310
|
N
N
Y
Y
D
D
G
G
D
D
V
V
Q
Q
S
S
D
D
I
I
320
|
L
L
A
A
Q
Q
G
G
F
F
G
G
S
S
L
L
G
G
L
L
330
|
M
M
T
T
S
S
V
V
L
L
V
V
C
C
P
P
D
D
G
G
340
|
K
K
T
T
I
I
E
E
A
A
E
E
A
A
A
A
H
H
G
G
350
|
T
T
V
V
T
T
R
R
H
H
Y
Y
R
R
E
E
H
H
Q
Q
360
|
K
K
G
G
R
R
P
P
T
T
S
S
T
T
N
N
P
P
I
I
370
|
A
A
S
S
I
I
F
F
A
A
W
W
T
T
R
R
G
G
L
L
380
|
E
E
H
H
R
R
G
G
K
K
L
L
D
D
G
G
N
N
Q
Q
390
|
D
D
L
L
I
I
R
R
F
F
A
A
Q
Q
M
M
L
L
E
E
400
|
K
K
V
V
C
C
V
V
E
E
T
T
V
V
E
E
S
S
G
G
410
|
A
A
M
M
T
T
K
K
D
D
L
L
A
A
G
G
C
C
I
I
420
|
H
H
G
G
L
L
S
S
N
N
V
V
K
K
L
L
N
N
E
E
430
|
H
H
F
F
L
L
N
N
T
T
T
T
D
D
F
F
L
L
D
D
440
|
T
T
I
I
K
K
S
S
N
N
L
L
D
D
R
R
A
A
L
L
450
|
G
G
R
R
Q
Q
S
L
L
E
E
H
H
H
H
H
H
H
H
H
460
|
H
H
H
H
H
H
H
-
Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
In Vitro Model U87MG cells Brain Homo sapiens (Human) CVCL_GP63
TF-1 cells Bone marrow Homo sapiens (Human) CVCL_0559
TF-1a cells Bone marrow Homo sapiens (Human) CVCL_3608
IDH2 cells Ovary Homo sapiens (Human) CVCL_D3DY
In Vivo Model NSG mouse PDX model Mus musculus
Mechanism Description Somatic gain-of-function mutations in isocitrate dehydrogenases (IDH) 1 and 2 are found in multiple hematologic and solid tumors, leading to accumulation of the oncometabolite (R)-2-hydroxyglutarate (2HG). 2HG competitively inhibits alpha-ketoglutarate-dependent dioxygenases, including histone demethylases and methylcytosine dioxygenases of the TET family, causing epigenetic dysregulation and a block in cellular differentiation.
Preclinical Drug(s)
1 drug(s) in total
Click to Show/Hide the Full List of Drugs
AGI-6780
Click to Show/Hide
Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
  Aberration of the Drug's Therapeutic Target (ADTT) Click to Show/Hide
Disease Class: Acute myeloid leukemia [ICD-11: 2A60.0] [4]
Sensitive Disease Acute myeloid leukemia [ICD-11: 2A60.0]
 Disease Info 
Sensitive Drug AGI-6780
 Drug Info 
Molecule Alteration Missense mutation
p.R140Q (c.419G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
Mutant Type Structure Method: X-ray diffraction Resolution: 1.54  Å
PDB: 5I95
   Download The Information of Sequence       Download The Structure File   
RMSD: 0.33
TM score: 0.99798
Amino acid change:
R140Q
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
-
-
M
40
|
A
A
D
D
K
K
R
R
I
I
K
K
V
V
A
A
K
K
P
P
50
|
V
V
V
V
E
E
M
M
D
D
G
G
D
D
E
E
M
M
T
T
60
|
R
R
I
I
I
I
W
W
Q
Q
F
F
I
I
K
K
E
E
K
K
70
|
L
L
I
I
L
L
P
P
H
H
V
V
D
D
I
I
Q
Q
L
L
80
|
K
K
Y
Y
F
F
D
D
L
L
G
G
L
L
P
P
N
N
R
R
90
|
D
D
Q
Q
T
T
D
D
D
D
Q
Q
V
V
T
T
I
I
D
D
100
|
S
S
A
A
L
L
A
A
T
T
Q
Q
K
K
Y
Y
S
S
V
V
110
|
A
A
V
V
K
K
C
C
A
A
T
T
I
I
T
T
P
P
D
D
120
|
E
E
A
A
R
R
V
V
E
E
E
E
F
F
K
K
L
L
K
K
130
|
K
K
M
M
W
W
K
K
S
S
P
P
N
N
G
G
T
T
I
I
140
|
R
Q
N
N
I
I
L
L
G
G
G
G
T
T
V
V
F
F
R
R
150
|
E
E
P
P
I
I
I
I
C
C
K
K
N
N
I
I
P
P
R
R
160
|
L
L
V
V
P
P
G
G
W
W
T
T
K
K
P
P
I
I
T
T
170
|
I
I
G
G
K
R
H
H
A
A
H
H
G
G
D
D
Q
Q
Y
Y
180
|
K
K
A
A
T
T
D
D
F
F
V
V
A
A
D
D
R
R
A
A
190
|
G
G
T
T
F
F
K
K
M
M
V
V
F
F
T
T
P
P
K
K
200
|
D
D
G
G
S
S
G
G
V
V
K
K
E
E
W
W
E
E
V
V
210
|
Y
Y
N
N
F
F
P
P
A
A
G
G
G
G
V
V
G
G
M
M
220
|
G
G
M
M
Y
Y
N
N
T
T
D
D
E
E
S
S
I
I
S
S
230
|
G
G
F
F
A
A
H
H
S
S
C
C
F
F
Q
Q
Y
Y
A
A
240
|
I
I
Q
Q
K
K
K
K
W
W
P
P
L
L
Y
Y
M
M
S
S
250
|
T
T
K
K
N
N
T
T
I
I
L
L
K
K
A
A
Y
Y
D
D
260
|
G
G
R
R
F
F
K
K
D
D
I
I
F
F
Q
Q
E
E
I
I
270
|
F
F
D
D
K
K
H
H
Y
Y
K
K
T
T
D
D
F
F
D
D
280
|
K
K
N
N
K
K
I
I
W
W
Y
Y
E
E
H
H
R
R
L
L
290
|
I
I
D
D
D
D
M
M
V
V
A
A
Q
Q
V
V
L
L
K
K
300
|
S
S
S
S
G
G
G
G
F
F
V
V
W
W
A
A
C
C
K
K
310
|
N
N
Y
Y
D
D
G
G
D
D
V
V
Q
Q
S
S
D
D
I
I
320
|
L
L
A
A
Q
Q
G
G
F
F
G
G
S
S
L
L
G
G
L
L
330
|
M
M
T
T
S
S
V
V
L
L
V
V
C
C
P
P
D
D
G
G
340
|
K
K
T
T
I
I
E
E
A
A
E
E
A
A
A
A
H
H
G
G
350
|
T
T
V
V
T
T
R
R
H
H
Y
Y
R
R
E
E
H
H
Q
Q
360
|
K
K
G
G
R
R
P
P
T
T
S
S
T
T
N
N
P
P
I
I
370
|
A
A
S
S
I
I
F
F
A
A
W
W
T
T
R
R
G
G
L
L
380
|
E
E
H
H
R
R
G
G
K
K
L
L
D
D
G
G
N
N
Q
Q
390
|
D
D
L
L
I
I
R
R
F
F
A
A
Q
Q
M
M
L
L
E
E
400
|
K
K
V
V
C
C
V
V
E
E
T
T
V
V
E
E
S
S
G
G
410
|
A
A
M
M
T
T
K
K
D
D
L
L
A
A
G
G
C
C
I
I
420
|
H
H
G
G
L
L
S
S
N
N
V
V
K
K
L
L
N
N
E
E
430
|
H
H
F
F
L
L
N
N
T
T
T
T
D
D
F
F
L
L
D
D
440
|
T
T
I
I
K
K
S
S
N
N
L
L
D
D
R
R
A
A
L
L
450
|
G
G
R
R
Q
Q
S
L
L
E
E
H
H
H
H
H
H
H
H
H
460
|
H
H
H
H
H
H
H
-
Click to Show/Hide the Structure
Experimental Note Revealed Based on the Cell Line Data
In Vitro Model Blood N.A.
Mechanism Description The missense mutation p.R140Q (c.419G>A) in gene IDH2 cause the sensitivity of AGI-6780 by aberration of the drug's therapeutic target
Investigative Drug(s)
1 drug(s) in total
Click to Show/Hide the Full List of Drugs
IDH2 inhibitors
Click to Show/Hide
Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
  Aberration of the Drug's Therapeutic Target (ADTT) Click to Show/Hide
Disease Class: Acute myeloid leukemia [ICD-11: 2A60.0] [1]
Sensitive Disease Acute myeloid leukemia [ICD-11: 2A60.0]
 Disease Info 
Sensitive Drug IDH2 inhibitors
 Drug Info 
Molecule Alteration Missense mutation
p.R172K (c.515G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 1.93  Å
PDB: 5GIS
Mutant Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
   Download The Information of Sequence       Download The Structure File   
RMSD: 1.13
TM score: 0.29352
Amino acid change:
R172K
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
-
40
|
-
A
-
D
-
K
-
R
-
I
-
K
-
V
-
A
-
K
-
P
50
|
-
V
-
V
-
E
-
M
-
D
-
G
-
D
-
E
-
M
-
T
60
|
-
R
-
I
-
I
-
W
-
Q
-
F
-
I
-
K
-
E
-
K
70
|
-
L
-
I
-
L
-
P
-
H
-
V
-
D
-
I
-
Q
-
L
80
|
-
K
-
Y
-
F
-
D
-
L
-
G
-
L
-
P
-
N
-
R
90
|
-
D
-
Q
-
T
-
D
-
D
-
Q
-
V
-
T
-
I
-
D
100
|
-
S
-
A
-
L
-
A
-
T
-
Q
-
K
-
Y
-
S
-
V
110
|
-
A
-
V
-
K
-
C
-
A
-
T
-
I
-
T
-
P
-
D
120
|
-
E
-
A
-
R
-
V
-
E
-
E
-
F
-
K
-
L
-
K
130
|
-
K
-
M
-
W
-
K
-
S
-
P
-
N
-
G
-
T
-
I
140
|
-
R
-
N
-
I
-
L
-
G
-
G
-
T
-
V
-
F
-
R
150
|
-
E
-
P
-
I
-
I
-
C
-
K
-
N
-
I
-
P
-
R
160
|
-
L
-
V
-
P
-
G
-
W
T
T
K
K
P
P
I
I
T
T
170
|
I
I
G
G
S
K
H
H
A
A
H
H
G
G
D
D
Q
Q
Y
Y
180
|
K
K
-
A
-
T
-
D
-
F
-
V
-
A
-
D
-
R
-
A
190
|
-
G
-
T
-
F
-
K
-
M
-
V
-
F
-
T
-
P
-
K
200
|
-
D
-
G
-
S
-
G
-
V
-
K
-
E
-
W
-
E
-
V
210
|
-
Y
-
N
-
F
-
P
-
A
-
G
-
G
-
V
-
G
-
M
220
|
-
G
-
M
-
Y
-
N
-
T
-
D
-
E
-
S
-
I
-
S
230
|
-
G
-
F
-
A
-
H
-
S
-
C
-
F
-
Q
-
Y
-
A
240
|
-
I
-
Q
-
K
-
K
-
W
-
P
-
L
-
Y
-
M
-
S
250
|
-
T
-
K
-
N
-
T
-
I
-
L
-
K
-
A
-
Y
-
D
260
|
-
G
-
R
-
F
-
K
-
D
-
I
-
F
-
Q
-
E
-
I
270
|
-
F
-
D
-
K
-
H
-
Y
-
K
-
T
-
D
-
F
-
D
280
|
-
K
-
N
-
K
-
I
-
W
-
Y
-
E
-
H
-
R
-
L
290
|
-
I
-
D
-
D
-
M
-
V
-
A
-
Q
-
V
-
L
-
K
300
|
-
S
-
S
-
G
-
G
-
F
-
V
-
W
-
A
-
C
-
K
310
|
-
N
-
Y
-
D
-
G
-
D
-
V
-
Q
-
S
-
D
-
I
320
|
-
L
-
A
-
Q
-
G
-
F
-
G
-
S
-
L
-
G
-
L
330
|
-
M
-
T
-
S
-
V
-
L
-
V
-
C
-
P
-
D
-
G
340
|
-
K
-
T
-
I
-
E
-
A
-
E
-
A
-
A
-
H
-
G
350
|
-
T
-
V
-
T
-
R
-
H
-
Y
-
R
-
E
-
H
-
Q
360
|
-
K
-
G
-
R
-
P
-
T
-
S
-
T
-
N
-
P
-
I
370
|
-
A
-
S
-
I
-
F
-
A
-
W
-
T
-
R
-
G
-
L
380
|
-
E
-
H
-
R
-
G
-
K
-
L
-
D
-
G
-
N
-
Q
390
|
-
D
-
L
-
I
-
R
-
F
-
A
-
Q
-
M
-
L
-
E
400
|
-
K
-
V
-
C
-
V
-
E
-
T
-
V
-
E
-
S
-
G
410
|
-
A
-
M
-
T
-
K
-
D
-
L
-
A
-
G
-
C
-
I
420
|
-
H
-
G
-
L
-
S
-
N
-
V
-
K
-
L
-
N
-
E
430
|
-
H
-
F
-
L
-
N
-
T
-
T
-
D
-
F
-
L
-
D
440
|
-
T
-
I
-
K
-
S
-
N
-
L
-
D
-
R
-
A
-
L
450
|
-
G
-
R
-
Q
-
S
-
L
-
E
-
H
-
H
-
H
-
H
460
|
-
H
-
H
-
H
-
H
Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
Disease Class: Acute myeloid leukemia [ICD-11: 2A60.0] [1]
Sensitive Disease Acute myeloid leukemia [ICD-11: 2A60.0]
 Disease Info 
Sensitive Drug IDH2 inhibitors
 Drug Info 
Molecule Alteration Missense mutation
p.R140Q (c.419G>A)
Wild Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 5SVN
Mutant Type Structure Method: X-ray diffraction Resolution: 1.54  Å
PDB: 5I95
   Download The Information of Sequence       Download The Structure File   
RMSD: 0.33
TM score: 0.99798
Amino acid change:
R140Q
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
-
-
M
40
|
A
A
D
D
K
K
R
R
I
I
K
K
V
V
A
A
K
K
P
P
50
|
V
V
V
V
E
E
M
M
D
D
G
G
D
D
E
E
M
M
T
T
60
|
R
R
I
I
I
I
W
W
Q
Q
F
F
I
I
K
K
E
E
K
K
70
|
L
L
I
I
L
L
P
P
H
H
V
V
D
D
I
I
Q
Q
L
L
80
|
K
K
Y
Y
F
F
D
D
L
L
G
G
L
L
P
P
N
N
R
R
90
|
D
D
Q
Q
T
T
D
D
D
D
Q
Q
V
V
T
T
I
I
D
D
100
|
S
S
A
A
L
L
A
A
T
T
Q
Q
K
K
Y
Y
S
S
V
V
110
|
A
A
V
V
K
K
C
C
A
A
T
T
I
I
T
T
P
P
D
D
120
|
E
E
A
A
R
R
V
V
E
E
E
E
F
F
K
K
L
L
K
K
130
|
K
K
M
M
W
W
K
K
S
S
P
P
N
N
G
G
T
T
I
I
140
|
R
Q
N
N
I
I
L
L
G
G
G
G
T
T
V
V
F
F
R
R
150
|
E
E
P
P
I
I
I
I
C
C
K
K
N
N
I
I
P
P
R
R
160
|
L
L
V
V
P
P
G
G
W
W
T
T
K
K
P
P
I
I
T
T
170
|
I
I
G
G
K
R
H
H
A
A
H
H
G
G
D
D
Q
Q
Y
Y
180
|
K
K
A
A
T
T
D
D
F
F
V
V
A
A
D
D
R
R
A
A
190
|
G
G
T
T
F
F
K
K
M
M
V
V
F
F
T
T
P
P
K
K
200
|
D
D
G
G
S
S
G
G
V
V
K
K
E
E
W
W
E
E
V
V
210
|
Y
Y
N
N
F
F
P
P
A
A
G
G
G
G
V
V
G
G
M
M
220
|
G
G
M
M
Y
Y
N
N
T
T
D
D
E
E
S
S
I
I
S
S
230
|
G
G
F
F
A
A
H
H
S
S
C
C
F
F
Q
Q
Y
Y
A
A
240
|
I
I
Q
Q
K
K
K
K
W
W
P
P
L
L
Y
Y
M
M
S
S
250
|
T
T
K
K
N
N
T
T
I
I
L
L
K
K
A
A
Y
Y
D
D
260
|
G
G
R
R
F
F
K
K
D
D
I
I
F
F
Q
Q
E
E
I
I
270
|
F
F
D
D
K
K
H
H
Y
Y
K
K
T
T
D
D
F
F
D
D
280
|
K
K
N
N
K
K
I
I
W
W
Y
Y
E
E
H
H
R
R
L
L
290
|
I
I
D
D
D
D
M
M
V
V
A
A
Q
Q
V
V
L
L
K
K
300
|
S
S
S
S
G
G
G
G
F
F
V
V
W
W
A
A
C
C
K
K
310
|
N
N
Y
Y
D
D
G
G
D
D
V
V
Q
Q
S
S
D
D
I
I
320
|
L
L
A
A
Q
Q
G
G
F
F
G
G
S
S
L
L
G
G
L
L
330
|
M
M
T
T
S
S
V
V
L
L
V
V
C
C
P
P
D
D
G
G
340
|
K
K
T
T
I
I
E
E
A
A
E
E
A
A
A
A
H
H
G
G
350
|
T
T
V
V
T
T
R
R
H
H
Y
Y
R
R
E
E
H
H
Q
Q
360
|
K
K
G
G
R
R
P
P
T
T
S
S
T
T
N
N
P
P
I
I
370
|
A
A
S
S
I
I
F
F
A
A
W
W
T
T
R
R
G
G
L
L
380
|
E
E
H
H
R
R
G
G
K
K
L
L
D
D
G
G
N
N
Q
Q
390
|
D
D
L
L
I
I
R
R
F
F
A
A
Q
Q
M
M
L
L
E
E
400
|
K
K
V
V
C
C
V
V
E
E
T
T
V
V
E
E
S
S
G
G
410
|
A
A
M
M
T
T
K
K
D
D
L
L
A
A
G
G
C
C
I
I
420
|
H
H
G
G
L
L
S
S
N
N
V
V
K
K
L
L
N
N
E
E
430
|
H
H
F
F
L
L
N
N
T
T
T
T
D
D
F
F
L
L
D
D
440
|
T
T
I
I
K
K
S
S
N
N
L
L
D
D
R
R
A
A
L
L
450
|
G
G
R
R
Q
Q
S
L
L
E
E
H
H
H
H
H
H
H
H
H
460
|
H
H
H
H
H
H
H
-
Click to Show/Hide the Structure
Experimental Note Identified from the Human Clinical Data
References
Ref 1 Abstract CT103: Clinical safety and efficacy of pembrolizumab (MK-3475) in patients with malignant pleural mesothelioma: Preliminary results from KEYNOTE-0280.
Ref 2 Enasidenib in mutant IDH2 relapsed or refractory acute myeloid leukemiaBlood. 2017 Aug 10;130(6):722-731. doi: 10.1182/blood-2017-04-779405. Epub 2017 Jun 6.
Ref 3 AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 MutationsCancer Discov. 2017 May;7(5):478-493. doi: 10.1158/2159-8290.CD-16-1034. Epub 2017 Feb 13.
Ref 4 Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiationScience. 2013 May 3;340(6132):622-6. doi: 10.1126/science.1234769. Epub 2013 Apr 4.

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