Structure of PDB 4dd8 Chain A Binding Site BS02

Receptor Information
>4dd8 Chain A (length=201) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RETRYVELYVVVDNAEFQMLGSEAAVRHRVLEVVNHVDKLYQKLNFRVVL
VGLEIWNSQDRFHVSPDPSVTLENLLTWQARRHLHDNVQLITGVDFTGTT
VGFARVSAMCSHSSGAVNQDHSKNPVGVACTMAHEMGHNLGMDHDENVQG
CRCQERFEAGRCIMAGSIGSSFPRMFSDCSQAYLESFLERPQSVCLANAP
D
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4dd8 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dd8 Structure of human ADAM-8 catalytic domain complexed with batimastat.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E203 D286 C395 N398
Binding residue
(residue number reindexed from 1)		E7 D86 C195 N198
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:4dd8, PDBe:4dd8, PDBj:4dd8
PDBsum4dd8
PubMed22684055
UniProtP78325|ADAM8_HUMAN Disintegrin and metalloproteinase domain-containing protein 8 (Gene Name=ADAM8)

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