Structure of PDB 2jxy Chain A Binding Site BS01

Receptor Information
>2jxy Chain A (length=194) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEPALCDPNLSFDAVTTVGNKIFFFKDRFFWLKVSERPKTSVNLISSLWP
TLPSGIEAAYEIEARNQVFLFKDDKYWLISNLRPEPNYPKSIHSFGFPNF
VKKIDAAVFNPRFYRTYFFVDNQYWRYDERRQMMDPGYPKLITKNFQGIG
PKIDAVFYSKNKYYYFFQGSNQFEYDFLLQRITKTLKSNSWFGC
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 chain2jxy Chain A Residue 471 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2jxy Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12
ResolutionN/A
Binding residue
(original residue number in PDB)		D289 A290 E333 D381 A382 D430
Binding residue
(residue number reindexed from 1)		D13 A14 E57 D105 A106 D154
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.65: macrophage elastase.
External links
PDB RCSB:2jxy, PDBe:2jxy, PDBj:2jxy
PDBsum2jxy
PubMed18465858
UniProtP39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)

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