Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T36741 Target Info
Target Name p53-binding protein Mdm4 (MDM4)
Synonyms Protein Mdmx; Mdm2-like p53-binding protein; Double minute 4 protein
Target Type Clinical trial Target
Gene Name MDM4
Biochemical Class MDM2/MDM4 family
UniProt ID
MDM4_HUMAN
Ligand General Information  Top
Ligand Name nutlin-3A Ligand Info
Canonical SMILES CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI 1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
InChIKey BDUHCSBCVGXTJM-WUFINQPMSA-N
PubChem Compound ID 11433190
Drug Binding Sites of Target  Top
PDB ID: 7C3Y      Crystal structure of the N-terminal domain of human MdmX protein in complex with Nutlin3a
Method X-ray diffraction Resolution 1.63 Å Mutation No [1]
PDB Sequence
DLENLYFQGS
21
QINQVRPKLP
31
LLKILHAAGA
41
QGEMFTVKEV
51
MHYLGQYIMV
61

KQLYDQQEQH
71
MVYCGGDLLG
81
ELLGRQSFSV
91
KDPSPLYDML
101
RKNLVT
Residue
Distance (Å)
MET52
2.283
HIS53
4.780
LEU55
2.630
GLY56
2.683
GLN57
4.994
ILE59
2.272
MET60
2.529
TYR65
2.952
GLN70
2.638
HIS71
2.429
Residue
Distance (Å)
MET72
4.619
VAL73
2.480
LEU80
4.357
PHE89
3.105
VAL91
2.033
LYS92
4.061
PRO94
2.479
LEU97
2.762
TYR98
3.277
PDB ID: 7C44      Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
Method X-ray diffraction Resolution 1.65 Å Mutation No [2]
PDB Sequence
DLENLYFQGS
21
QINQVRPKLP
31
LLKILHAAGA
41
QGEMFTVKEV
51
MHYLGQYIMV
61

KQLYDQQEQH
71
MVYCGGDLLG
81
ELLGRQSFSV
91
KDPSPLYDML
101
RKNLVT
Residue
Distance (Å)
MET52
2.361
HIS53
4.741
LEU55
2.644
GLY56
2.679
GLN57
4.985
ILE59
2.282
MET60
2.744
TYR65
2.615
GLN70
2.700
HIS71
2.456
Residue
Distance (Å)
MET72
4.687
VAL73
2.680
LEU80
4.385
PHE89
3.090
VAL91
2.020
LYS92
4.476
PRO94
2.460
LEU97
2.807
TYR98
3.233
PDB ID: 7C3Q      Human MdmX protein in complex with Nutlin3a
Method X-ray diffraction Resolution 1.80 Å Mutation No [3]
PDB Sequence
DLENLYFQGS
21
QINQVRPKLP
31
LLKILHAAGA
41
QGEMFTVKEV
51
MHYLGQYIMV
61

KQLYDQQEQH
71
MVYCGGDLLG
81
ELLGRQSFSV
91
KDPSPLYDML
101
RKNLVT
Residue
Distance (Å)
MET52
2.344
HIS53
4.804
LEU55
2.702
GLY56
2.707
GLN57
4.978
ILE59
2.462
MET60
3.105
TYR65
3.072
GLN70
2.364
Residue
Distance (Å)
HIS71
2.113
MET72
4.731
VAL73
2.477
LEU80
4.351
PHE89
2.957
VAL91
2.158
PRO94
2.489
LEU97
2.926
TYR98
3.329
References  Top
REF 1 Crystal structure of the N-terminal domain of human MdmX protein in complex with Nutlin3a
REF 2 Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
REF 3 Human MdmX protein in complex with Nutlin3a

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