Structure of PDB 3q2h Chain B Binding Site BS01

Receptor Information
>3q2h Chain B (length=282) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHRYVETMLVADQSMAEFHGSGLKHYLLTLFSVAARLYKHPSIRNSVSLV
VVKILVIHDEQKGPEVTSNAALTLRNFCNWQKQHNPPSDRDAEHYDTAIL
FTRQDLCGSQTCDTLGMADVGTVCDPSRSCSVIEDDGLQAAFTTAHELGH
VFNMPHDDAKQCASLNSHMMASMLNLDHSQPWSPCSAYMITSFLDNGHGE
CLMDKPQNPIQLPGDLPGTSYDANRQCQFTFGEDSKHCTCSTLWCTGTLV
CQTKHFPWADGTSCGEGKWCINGKCVNKLVPR
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 chain3q2h Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3q2h The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Resolution2.33 Å
Binding residue
(original residue number in PDB)		H149 H153 H159
Binding residue
(residue number reindexed from 1)		H146 H150 H156
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3q2h, PDBe:3q2h, PDBj:3q2h
PDBsum3q2h
PubMed21300546
UniProtQ9UHI8|ATS1_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 1 (Gene Name=ADAMTS1)

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