Structure of PDB 5ffn Chain A Binding Site BS02

Receptor Information

>5ffn Chain A (length=311) Species: 1409 (Bacillus sp. (in: firmicutes))

AVPSTQTPWGIKSIYNDQSITKTTGGSGIKVAVLDTGVYTSHLDLAGSAE
QCKDFTQSNPLVDGSCTDRQGHGTHVAGTVLAHGGSNGQGVYGVAPQAKL
WAYKVLGDNGSGYSDDIAAAIRHVADEASRTGSKVVINMSLGSSAKDSLI
ASAVDYAYGKGVLIVAAAGNSGSGSNTIGFPGGLVNAVAVAALENVQQNG
TYRVADFSSRGNPATAGDYIIQERDIEVSAPGASVESTWYTGGYNTISGT
SMATPHVAGLAAKIWSANTSLSHSQLRTELQNRAKVYDIKGGIGAGTGDD
YASGFGYPRVK

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: 5ffn Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ffn Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D288 I289 G296 G298 D300
• Binding residue (residue number reindexed from 1): D288 I289 G296 G298 D300
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D35 H72 N170 S251
• Catalytic site (residue number reindexed from 1): D35 H72 N170 S251
• Enzyme Commision number: 3.4.21.14: Transferred entry: 3.4.21.62, 3.4.21.63, 3.4.21.64, 3.4.21.65 and 3.4.21.67.

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

External links

• PDB: RCSB:5ffn, PDBe:5ffn, PDBj:5ffn
• PDBsum: 5ffn
• UniProt: A0A182DWC8