Structure of PDB 2jih Chain B Binding Site BS03

Receptor Information
>2jih Chain B (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHRYVETMLVADQSMAEFHGSGLKHYLLTLFSVAARLYKHPSIRNSVSLV
VVKILVIHDEQKGPEVTSNAALTLRNFCNWQKQHNPPSDRDAEHYDTAIL
FTRQDLCGSQTCDTLGMADVGTVCDPSRSCSVIEDDGLQAAFTTAHELGH
VFNMPHDDAKQCASLNQDSHMMASMLSNLDHSQPWSPCSAYMITSFLDNG
HGECLMDKPQNPIQLPGDLPGTSYDANRQCQFTFGEDSKHCPTCSTLWCT
GTLVCQTKHFPWADGTSCGEGKWCINGKCVNKLVPR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2jih Chain B Residue 1560 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jih Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H439 D530 N542
Binding residue
(residue number reindexed from 1)		H181 D264 N276
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:2jih, PDBe:2jih, PDBj:2jih
PDBsum2jih
PubMed17897672
UniProtQ9UHI8|ATS1_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 1 (Gene Name=ADAMTS1)

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