Structure of PDB 1pex Chain A Binding Site BS03

Receptor Information
>1pex Chain A (length=192) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPE
LPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEV
KKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGD
KVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
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 chain1pex Chain A Residue 503 [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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PDB1pex The helping hand of collagenase-3 (MMP-13): 2.7 A crystal structure of its C-terminal haemopexin-like domain.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I287 A331 A380 V429
Binding residue
(residue number reindexed from 1)		I14 A58 A106 V155
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
External links
PDB RCSB:1pex, PDBe:1pex, PDBj:1pex
PDBsum1pex
PubMed8969305
UniProtP45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)

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