Structure of PDB 4arf Chain A Binding Site BS03

Receptor Information

>4arf Chain A (length=380) Species: 1498 (Hathewaya histolytica)

YCPKTYTFDDGKVIIKAGARVEEEKVKRLYWASKEVNSQFFRVYGIDKPL
EEGNPDDILTMVIYNSPEEYKLNSVLYGYDTNNGGMYIEPEGTFFTYERE
AQESTYTLEELFRHEYTHYLQGRYAVPGQWGRTKLYDNDRLTWYEEGGAE
LFAGSTRTSGILPRKSIVSNIHNTTRNNRYKLSDTVHSKYGASFEFYNYA
CMFMDYMYNKDMGILNKLNDLAKNNDVDGYDNYIRDLSSNHALNDKYQDH
MQERIDNYENLTVPFVADDYLVRHAYKNPNEIYSEISEVAKLKDAKSEVK
KSQYFSTFTLRGSYTGGVSKGKLEDQKAMNKFIDDSLKKLDTYSWSGYKT
LTAYFTNYKVDSSNKVTYDVVFHGYLPNEG

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: 4arf Chain A Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4arf Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T.
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): E430 G463 V467 P468 G469
• Binding residue (residue number reindexed from 1): E89 G122 V126 P127 G128
• 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:4arf, PDBe:4arf, PDBj:4arf
• PDBsum: 4arf
• PubMed: 23703618
• UniProt: Q46085|COLH_HATHI Collagenase ColH (Gene Name=colH)