Structure of PDB 1c9j Chain A Binding Site BS01

Receptor Information

>1c9j Chain A (length=269) Species: 1467 (Lederbergia lenta)

AQSVPWGISRVQAPAAHNRGLTGSGVRVAVLDTGISTHPDLNIRGGASFV
PGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGASGSG
SYSSIAQGLEWAGNNGMHVASLSLGSPSPSATLEQAVNSATSRGVLVVAA
SGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQ
STYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATS
LGSTNLYGSGLVNAEAAAR

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: 1c9j Chain A Residue 277

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1c9j Engineered Bacillus lentus subtilisins having altered flexibility.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): Q2 D41 L75 N77 I79 V81
• Binding residue (residue number reindexed from 1): Q2 D40 L73 N75 I77 V79
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D32 H64 N155 S221
• Catalytic site (residue number reindexed from 1): D32 H62 N153 S215
• Enzyme Commision number: 3.4.21.62: subtilisin.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0030435 sporulation resulting in formation of a cellular spore

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1c9j, PDBe:1c9j, PDBj:1c9j
• PDBsum: 1c9j
• PubMed: 10493860
• UniProt: P29600|SUBS_LEDLE Subtilisin Savinase