Structure of PDB 7zoc Chain A Binding Site BS01

Receptor Information

>7zoc Chain A (length=378) Species: 1498 (Hathewaya histolytica)

YCPKTYTFDDGKVIIKAGARVEEEKVKRLYWASKEVNSQFFRVYGIDKPL
EEGNPDDILTMVIYNSPEEYKLNSVLYGYDTNNGGMYIEPEGTFFTYERE
AQESTYTLEELFRHEYTHYLQGRYAVPGQWGRTKLYDNDRLTWYEEGGAE
LFAGSTRTSGILPRKSIVSNIHNTTRNNRYKLSDTVHSKYGASFEFYNYA
CMFMDYMYNKDMGILNKLNDLAKNNDVDGYDNYIRDLSSNHALNDKYQDH
MQERIDNYENLTVPFVADDYLVRHAYKNPNEIYSEISEVAKLKDAKSEVK
KSQYFSTFTLRGSYTGGVSKGKLEDQKAMNKFIDDSLKKLDTYSWSGYKT
LTAYFTNYKVDSSNKVTYDVVFHGYLPN

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 7zoc Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zoc N-aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of P. aeruginosa virulence factor LasB and C. histolyticum virulence factor ColH
• Resolution: 1.91 Å
• Binding residue (original residue number in PDB): H455 H459 E487
• Binding residue (residue number reindexed from 1): H114 H118 E146
• 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:7zoc, PDBe:7zoc, PDBj:7zoc
• PDBsum: 7zoc
• UniProt: Q46085|COLH_HATHI Collagenase ColH (Gene Name=colH)