Structure of PDB 1l6j Chain A Binding Site BS03

Receptor Information
>1l6j Chain A (length=405) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLFPGDLRTNLTDRQLAEEYLYRYGYTLGPALLLLQKQLSLPETGELDSA
TLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDD
AFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLA
HAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGR
SYSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTRDGNADGKPCQ
FPFIFQGQSYSACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMG
GNSAGELCVFPFTFLGKEYSTCTSEGRGDGRLWCATTSNFDSDKKWGFCP
DQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGI
RHLYG
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 chain1l6j Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l6j Structure of the C-terminally truncated human ProMMP9, a gelatin-binding matrix metalloproteinase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D182 G183 D185 G186 L187 D205 E208
Binding residue
(residue number reindexed from 1)		D143 G144 D146 G147 L148 D166 E169
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H401 E402 H405 H411
Catalytic site (residue number reindexed from 1) H362 E363 H366 H372
Enzyme Commision number 3.4.24.35: gelatinase B.
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1l6j, PDBe:1l6j, PDBj:1l6j
PDBsum1l6j
PubMed12077439
UniProtP14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)

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