Structure of PDB 2z2y Chain C Binding Site BS01

Receptor Information

>2z2y Chain C (length=318) Species: 69014 (Thermococcus kodakarensis KOD1)

QPAQTIPWGIERVKAPSVWSITDGSVSVIQVAVLDTGVDYDHPDLAANIA
WCVSTLRGKVSTKLRDCADQNGHGTHVIGTIAALNNDIGVVGVAPGVQIY
SVRVLDARGSGSYSDIAIGIEQAILGPDGVADKDGDGIIAGDPDDDAAEV
ISMSLGGPADDSYLYDMIIQAYNAGIVIVAASGNEGAPSPSYPAAYPEVI
AVGAIDSNDNIASFSNRQPEVSAPGVDILSTYPDDSYETLMGTCMATPHV
SGVVALIQAAYYQKYGKILPVGTFDDISKNTVRGILHITADDLGPTGWDA
DYGYGVVRAALAVQAALG

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: 2z2y Chain C Residue 1008

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2z2y Four new crystal structures of Tk-subtilisin in unautoprocessed, autoprocessed and mature forms: insight into structural changes during maturation
• Resolution: 1.89 Å
• Binding residue (original residue number in PDB): Q84 D124 L164 N166 I168 V170
• Binding residue (residue number reindexed from 1): Q4 D44 L84 N86 I88 V90
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D115 H153 N264 C324
• Catalytic site (residue number reindexed from 1): D35 H73 N184 C244
• 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:2z2y, PDBe:2z2y, PDBj:2z2y
• PDBsum: 2z2y
• PubMed: 17706669
• UniProt: P58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)