Structure of PDB 1cse Chain E Binding Site BS01

Receptor Information

>1cse Chain E (length=274) Species: 1423 (Bacillus subtilis)

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: 1cse Chain E Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1cse The high-resolution X-ray crystal structure of the complex formed between subtilisin Carlsberg and eglin c, an elastase inhibitor from the leech Hirudo medicinalis. Structural analysis, subtilisin structure and interface geometry.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): A169 K170 Y171 V174 A176
• Binding residue (residue number reindexed from 1): A168 K169 Y170 V173 A175
• 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:1cse, PDBe:1cse, PDBj:1cse
• PDBsum: 1cse
• PubMed: 3301348
• UniProt: B0FXJ2