Structure of PDB 1rm8 Chain A Binding Site BS02

Receptor Information
>1rm8 Chain A (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQKWQHKHITYSIKNVTPKVGDPETRKAIRRAFDVWQNVTPLTFEEVPYS
ELENGKRDVDITIIFASGFHGDSSPFDGEGGFLAHAYFPGPGIGGDTHFD
SDEPWTLGNPNHDGNDLFLVAVHELGHALGLEHSNDPTAIMAPFYQYMET
DNFKLPNDDLQGIQKIYGP
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 chain1rm8 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rm8 Crystal structure of the catalytic domain of MMP-16/MT3-MMP: characterization of MT-MMP specific features.
Resolution1.8 Å
Binding residue
(original residue number in PDB)
H193 D195 H208 H221
Binding residue
(residue number reindexed from 1)
H70 D72 H85 H98
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H246 E247 H250 H256
Catalytic site (residue number reindexed from 1) H123 E124 H127 H133
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0031012 extracellular matrix

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Cellular Component
External links
PDB RCSB:1rm8, PDBe:1rm8, PDBj:1rm8
PDBsum1rm8
PubMed14741217
UniProtP51512|MMP16_HUMAN Matrix metalloproteinase-16 (Gene Name=MMP16)

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