Structure of PDB 1dbi Chain A Binding Site BS01

Receptor Information

>1dbi Chain A (length=271) Species: 268807 (Bacillus sp. Ak1)

WTPNDTYYQGYQYGPQNTYTDYAWDVTKGSSGQEIAVIDTGVDYTHPDLD
GKVIKGYDFVDNDYDPMDLNNHGTHVAGIAAAETNNATGIAGMAPNTRIL
AVRALDRNGSGTLSDIADAIIYAADSGAEVINLSLGCDCHTTTLENAVNY
AWNKGSVVVAAAGNNSYENVIAVGAVDQYDRLASFSNYGTWVDVVAPGVD
IVSTITGNRYAYMSGTSMASPHVAGLAALLASQGRNNIEIRQAIEQTADK
ISGTGTYFKYGRINSYNAVTY

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: 1dbi Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1dbi Calcium-mediated thermostability in the subtilisin superfamily: the crystal structure of Bacillus Ak.1 protease at 1.8 A resolution.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D5 D48 E83 N86 T88 I90
• Binding residue (residue number reindexed from 1): D5 D48 E83 N86 T88 I90
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D39 H72 N164 S226
• Catalytic site (residue number reindexed from 1): D39 H72 N164 S217
• Enzyme Commision number: 3.4.21.-

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:1dbi, PDBe:1dbi, PDBj:1dbi
• PDBsum: 1dbi
• PubMed: 10588904
• UniProt: Q45670|THES_BACSJ Thermophilic serine proteinase