Structure of PDB 2zwo Chain A Binding Site BS04

Receptor Information

>2zwo Chain A (length=395) Species: 311400 (Thermococcus kodakarensis)

NTIRVIVSVDKAKFNPHEVLGIGGHIVYQFKLIPAVVVDVPANAVGKLKK
MPGVEKVEFDHQAVLLGKPSWLGGGSTQPAQTIPWGIERVKAPSVWSITD
GSVSVIQVAVLDTGVDYDHPDLAANIAWCVSTLRGKVSTKLRDCADQNGH
GTHVIGTIAALNNDIGVVGVAPGVQIYSVRVLDARGSGSYSDIAIGIEQA
ILGPDGVADKDGDGIIAGDPDDAAAEVISMSLGGPADDSYLYDMIIQAYN
AGIVIVAASGNEGAPSPSYPAAYPEVIAVGAIDSNDNIASFSNRQPEVSA
PGVDILSTYPDDSYETLMGTAMATPHVSGVVALIQAAYYQKYGKILPVGT
FDDISKNTVRGILHITADDLGPTGWDADYGYGVVRAALAVQAALG

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: 2zwo Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2zwo Requirement of a unique Ca(2+)-binding loop for folding of Tk-subtilisin from a hyperthermophilic archaeon.
• Resolution: 2.07 Å
• Binding residue (original residue number in PDB): V108 Q110 A227 E229
• Binding residue (residue number reindexed from 1): V105 Q107 A224 E226
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D115 H153 N264 A324
• Catalytic site (residue number reindexed from 1): D112 H150 N261 A321
• Enzyme Commision number: 3.4.21.-

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2zwo, PDBe:2zwo, PDBj:2zwo
• PDBsum: 2zwo
• PubMed: 19813760
• UniProt: P58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)