Structure of PDB 4ar1 Chain A Binding Site BS02

Receptor Information

>4ar1 Chain A (length=381) Species: 1498 (Hathewaya histolytica)

KYCPKTYTFDDGKVIIKAGARVEEEKVKRLYWASKEVNSQFFRVYGIDKP
LEEGNPDDILTMVIYNSPEEYKLNSVLYGYDTNNGGMYIEPEGTFFTYER
EAQESTYTLEELFRHEYTHYLQGRYAVPGQWGRTKLYDNDRLTWYEEGGA
ELFAGSTRTSGILPRKSIVSNIHNTTRNNRYKLSDTVHSKYGASFEFYNY
ACMFMDYMYNKDMGILNKLNDLAKNNDVDGYDNYIRDLSSNHALNDKYQD
HMQERIDNYENLTVPFVADDYLVRHAYKNPNEIYSEISEVAKLKDAKSEV
KKSQYFSTFTLRGSYTGGVSKGKLEDQKAMNKFIDDSLKKLDTYSWSGYK
TLTAYFTNYKVDSSNKVTYDVVFHGYLPNEG

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: 4ar1 Chain A Residue 1723

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ar1 Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): E430 G463 V467 G469
• Binding residue (residue number reindexed from 1): E90 G123 V127 G129
• 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:4ar1, PDBe:4ar1, PDBj:4ar1
• PDBsum: 4ar1
• PubMed: 23703618
• UniProt: Q46085|COLH_HATHI Collagenase ColH (Gene Name=colH)