Structure of PDB 7zbv Chain A Binding Site BS03

Receptor Information

>7zbv Chain A (length=390) Species: 1498 (Hathewaya histolytica)

DKFLDDAEKHYLPKTYTFDNGTFIIRAGDKVSEEKIKRLYWASREVKSQF
HRVVGNDKALEVGNADDVLTMKIFNSPEEYKFNTNINGVSTDNGGLYIEP
RGTFYTYERTPQQSIFSLEELFRHEYTHYLQARYLVDGLWGQGPFYEKNR
LTWFDEGTAEFFAGSTRTSGVLPRKLILGYLAKDKVDHRYSLKKTLNSGY
DDSDWMFYNYGFAVAHYLYEKDMPTFIKMNKAILNTDVKSYDEIIKKLSD
DANKNTEYQNHIQELVDKYQGAGIPLVSDDYLKDHGYKKASEVYSEISKA
ASLTNTSVTAEKSQYFNTFTLRGTYTGETSKGEFKDWDEMSKKLDGTLES
LAKNSWSGYKTLTAYFTNYRVTSDNKVQYDVVFHGVLTDN

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: 7zbv Chain A Residue 805

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zbv Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): E498 A531 V535 G537
• Binding residue (residue number reindexed from 1): E99 A132 V136 G138
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.24.3: microbial collagenase.

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:7zbv, PDBe:7zbv, PDBj:7zbv
• PDBsum: 7zbv
• PubMed: 36154055
• UniProt: Q9X721|COLG_HATHI Collagenase ColG (Gene Name=colG)