Structure of PDB 1c9n Chain A Binding Site BS02

Receptor Information

>1c9n 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: 1c9n Chain A Residue 278

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1c9n Engineered Bacillus lentus subtilisins having altered flexibility.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): A169 Y171 A174 G195
• Binding residue (residue number reindexed from 1): A163 Y165 A168 G189
• 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:1c9n, PDBe:1c9n, PDBj:1c9n
• PDBsum: 1c9n
• PubMed: 10493860
• UniProt: P29600|SUBS_LEDLE Subtilisin Savinase