Structure of PDB 4m6r Chain A Binding Site BS01

Receptor Information
>4m6r Chain A (length=224) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDKEHPRYLIPELCKQFYHLGWVTGTGGGISLKHGDEIYIAPSGVQKERI
QPEDMFVCDINEKDISGPSPSKKLKKSQCTPLFMNAYTMRGAGAVIHTHS
KAAVMATLLFPGREFKITHQEMIKGIKKCTSGGYYRYDDMLVVPIIENTP
EEKDLKDRMAHAMNEYPDSCAVLVRRHGVYVWGETWEKAKTMCECYDYLF
DIAVSMKKVGLDPSQLPVGENGIV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4m6r Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m6r Structural and biochemical basis for the inhibition of cell death by APIP, a methionine salvage enzyme.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H115 H117 H195
Binding residue
(residue number reindexed from 1)		H97 H99 H177
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.109: methylthioribulose 1-phosphate dehydratase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0042802 identical protein binding
GO:0046570 methylthioribulose 1-phosphate dehydratase activity
GO:0046872 metal ion binding
Biological Process
GO:0006915 apoptotic process
GO:0009086 methionine biosynthetic process
GO:0019284 L-methionine salvage from S-adenosylmethionine
GO:0019509 L-methionine salvage from methylthioadenosine
GO:0043066 negative regulation of apoptotic process
GO:0051289 protein homotetramerization
GO:0070269 pyroptotic inflammatory response
GO:0070372 regulation of ERK1 and ERK2 cascade
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4m6r, PDBe:4m6r, PDBj:4m6r
PDBsum4m6r
PubMed24367089
UniProtQ96GX9|MTNB_HUMAN Methylthioribulose-1-phosphate dehydratase (Gene Name=APIP)

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