Structure of PDB 1tm3 Chain E Binding Site BS01

Receptor Information

>1tm3 Chain E (length=281) Species: 1390 (Bacillus amyloliquefaciens)

AQSVPYGVSQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLKVAGGASM
VPSETNPFQDNNSHGTHVAGTVAALNNSIGVLGVAPSASLYAVKVLGADG
SGQYSWIINGIEWAIANNMDVINMSLGGPSGSAALKAAVDKAVASGVVVV
AAAGNEGTSGSSSTVGYPGKYPSVIAVGAVDSSNQRASFSSVGPELDVMA
PGVSIQSTLPGNKYGAYNGTSMASPHVAGAAALILSKHPNWTNTQVRSSL
ENTTTKLGDSFYYGKGLINVQAAAQHHHHHH

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: 1tm3 Chain E Residue 450

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tm3 Binding, Proteolytic, and Crystallographic Analyses of Mutations at the Protease-Inhibitor Interface of the Subtilisin BPN'/Chymotrypsin Inhibitor 2 Complex(,).
• Resolution: 1.57 Å
• Binding residue (original residue number in PDB): Q2 D41 L75 N77 I79 V81
• Binding residue (residue number reindexed from 1): Q2 D41 L75 N77 I79 V81
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): S221
• Catalytic site (residue number reindexed from 1): S221
• 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:1tm3, PDBe:1tm3, PDBj:1tm3
• PDBsum: 1tm3
• PubMed: 15504027
• UniProt: P00782|SUBT_BACAM Subtilisin BPN' (Gene Name=apr)