Structure of PDB 3a3n Chain A Binding Site BS07

Receptor Information

>3a3n Chain A (length=319) Species: 311400 (Thermococcus kodakarensis)

TQPAQTIPWGIERVKAPSVWSITDGSVSVIQVAVLDTGVDYDHPDLAANI
AWCVSTLRGKVSTKLRDCADQNGHGTHVIGTIAALNNDIGVVGVAPGVQI
YSVRVLDARGSGSYSDIAIGIEQAILGPDGVADKDGDGIIAGDPDDDAAE
VISMSLGGPADDSYLYDMIIQAYNAGIVIVAASGNEGAPSPSYPAAYPEV
IAVGAIDSNDNIASFSNRQPEVSAPGVDILSTYPDDSYETLMGTAMATPH
VSGVVALIQAAYYQKYGKILPVGTFDDISKNTVRGILHITADDLGPTGWD
ADYGYGVVRAALAVQAALG

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: 3a3n Chain A Residue 6

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3a3n Identification of the interactions critical for propeptide-catalyzed folding of Tk-subtilisin
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D372 L373 G374 P375 G377 D379
• Binding residue (residue number reindexed from 1): D293 L294 G295 P296 G298 D300
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D115 H153 N264 A324
• Catalytic site (residue number reindexed from 1): D36 H74 N185 A245
• 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:3a3n, PDBe:3a3n, PDBj:3a3n
• PDBsum: 3a3n
• PubMed: 19766655
• UniProt: P58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)