Structure of PDB 3bx1 Chain B Binding Site BS01

Receptor Information

>3bx1 Chain B (length=269) Species: 1467 (Lederbergia lenta)

AQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFV
PGEPSTQDGNGHGTHVAGTIAALNNSIGVLGVAPSAELYAVKVLGASGSG
SVSSIAQGLEWAGNNGMHVANLSLGSPSPSATLEQAVNSATSRGVLVVAA
SGNSGAGSISYPARYANAMAVGATDQNNNRASFSQYGAGLDIVAPGVNVQ
STYPGSTYASLNGTSMATPHVAGAAALVKQKNPSWSNVQIRNHLKNTATS
LGSTNLYGSGLVNAEAATR

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: 3bx1 Chain B Residue 276

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3bx1 Structural and Mutational Analyses of the Interaction between the Barley alpha-Amylase/Subtilisin Inhibitor and the Subtilisin Savinase Reveal a Novel Mode of Inhibition
• Resolution: 1.85 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:3bx1, PDBe:3bx1, PDBj:3bx1
• PDBsum: 3bx1
• PubMed: 18556023
• UniProt: P29600|SUBS_LEDLE Subtilisin Savinase