Structure of PDB 2zwp Chain A Binding Site BS04

Receptor Information

>2zwp Chain A (length=389) Species: 311400 (Thermococcus kodakarensis)

TIRVIVSVDKAKFNPHEVLGIGGHIVYQFKLIPAVVVDVPANAVGKLKKM
PGVEKVEFDHQAVLLGKPSWLQPAQTIPWGIERVKAPSVWSITDGSVSVI
QVAVLDTGVDYDHPDLAANIAWCVSTLRGKVSTKLRDCADQNGHGTHVIG
TIAALNNDIGVVGVAPGVQIYSVRVLDARGSGSYSDIAIGIEQAILGPDG
VADKDGDGIIAGDPDADAAEVISMSLGGPADDSYLYDMIIQAYNAGIVIV
AASGNEGAPSPSYPAAYPEVIAVGAIDSNDNIASFSNRQPEVSAPGVDIL
STYPDDSYETLMGTAMATPHVSGVVALIQAAYYQKYGKILPVGTFDDISK
NTVRGILHITADDLGPTGWDADYGYGVVRAALAVQAALG

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: 2zwp Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2zwp Requirement of a unique Ca(2+)-binding loop for folding of Tk-subtilisin from a hyperthermophilic archaeon.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): L205 D208 V210 D226
• Binding residue (residue number reindexed from 1): L196 D199 V201 D217
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D115 H153 N264 A324
• Catalytic site (residue number reindexed from 1): D106 H144 N255 A315
• 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:2zwp, PDBe:2zwp, PDBj:2zwp
• PDBsum: 2zwp
• PubMed: 19813760
• UniProt: P58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)