Structure of PDB 1l6j Chain A Binding Site BS05

Receptor Information

>1l6j Chain A (length=405) Species: 9606 (Homo sapiens)

VLFPGDLRTNLTDRQLAEEYLYRYGYTLGPALLLLQKQLSLPETGELDSA
TLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDD
AFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLA
HAFPPGPGIQGDAHFDDDELWSLGKGVVVPTRFGNADGAACHFPFIFEGR
SYSACTTDGRSDGLPWCSTTANYDTDDRFGFCPSERLYTRDGNADGKPCQ
FPFIFQGQSYSACTTDGRSDGYRWCATTANYDRDKLFGFCPTRADSTVMG
GNSAGELCVFPFTFLGKEYSTCTSEGRGDGRLWCATTSNFDSDKKWGFCP
DQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGI
RHLYG

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 1l6j Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1l6j Structure of the C-terminally truncated human ProMMP9, a gelatin-binding matrix metalloproteinase.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D165 G197 D201
• Binding residue (residue number reindexed from 1): D126 G158 D162
• Annotation score: 4

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

External links

• PDB: RCSB:1l6j, PDBe:1l6j, PDBj:1l6j
• PDBsum: 1l6j
• PubMed: 12077439
• UniProt: P14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)