Structure of PDB 2gko Chain A Binding Site BS01

Receptor Information

>2gko Chain A (length=309) Species: 1423 (Bacillus subtilis)

AASQSTPWGIKAIYNNSNLTSTSGGAGINIAVLDTGVNTNHPDLSNNVEQ
CKDFTVGTNFTDNSCTDRQGHGTHVAGSALANGGTGSGVYGVAPEADLWA
YKVLGDDGSGYADDIAEAIRHAGDQATALNTKVVINMSLGSSGESSLITN
AVDYAYDKGVLIIAAAGNSGPKPGSIGYPGALVNAVAVAALENTIQNGTY
RVADFSSRGHKRTAGDYVIQKGDVEISAPGAAVYSTWFDGGYATISGTSM
ASPHAAGLAAKIWAQSPAASNVDVRGELQTRASVNDILSGNSAGSGDDIA
SGFGFAKVQ

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: 2gko Chain A Residue 610

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gko The crystal structures of the psychrophilic subtilisin S41 and the mesophilic subtilisin Sph reveal the same calcium-loaded state.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): N29 E49 D97
• Binding residue (residue number reindexed from 1): N29 E49 D97
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D34 H71 N168 S249
• Catalytic site (residue number reindexed from 1): D34 H71 N168 S249
• Enzyme Commision number: 3.4.21.14: Transferred entry: 3.4.21.62, 3.4.21.63, 3.4.21.64, 3.4.21.65 and 3.4.21.67.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2gko, PDBe:2gko, PDBj:2gko
• PDBsum: 2gko
• PubMed: 18655058
• UniProt: Q45681