Structure of PDB 2sec Chain E Binding Site BS02

Receptor Information

>2sec Chain E (length=274) Species: 1402 (Bacillus licheniformis)

AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASF
VAGEAYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGS
GSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVA
AAGNSGNSGSTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAP
GAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNLSASQVRNRLS
STATYLGSSFYYGKGLINVEAAAQ

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: 2sec Chain E Residue 277

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2sec Structural comparison of two serine proteinase-protein inhibitor complexes: eglin-c-subtilisin Carlsberg and CI-2-subtilisin Novo.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): A169 K170 Y171 V174
• Binding residue (residue number reindexed from 1): A168 K169 Y170 V173
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): S221
• Catalytic site (residue number reindexed from 1): S220
• Enzyme Commision number: 3.4.21.62: subtilisin.

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:2sec, PDBe:2sec, PDBj:2sec
• PDBsum: 2sec
• PubMed: 3064813
• UniProt: P00780|SUBC_BACLI Subtilisin Carlsberg (Gene Name=subC)