Structure of PDB 2z30 Chain A Binding Site BS05

Receptor Information

>2z30 Chain A (length=320) Species: 69014 (Thermococcus kodakarensis KOD1)

STQPAQTIPWGIERVKAPSVWSITDGSVSVIQVAVLDTGVDYDHPDLAAN
IAWCVSTLRGKVSTKLRDCADQNGHGTHVIGTIAALNNDIGVVGVAPGVQ
IYSVRVLDARGSGSYSDIAIGIEQAILGPDGVADKDGDGIIAGDPDDDAA
EVISMSLGGPADDSYLYDMIIQAYNAGIVIVAASGNEGAPSPSYPAAYPE
VIAVGAIDSNDNIASFSNRQPEVSAPGVDILSTYPDDSYETLMGTAMATP
HVSGVVALIQAAYYQKYGKILPVGTFDDISKNTVRGILHITADDLGPTGW
DADYGYGVVRAALAVQAALG

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: 2z30 Chain A Residue 1005

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2z30 Four new crystal structures of Tk-subtilisin in unautoprocessed, autoprocessed and mature forms: insight into structural changes during maturation
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): Q84 D124 L164 N166 I168 V170
• Binding residue (residue number reindexed from 1): Q6 D46 L86 N88 I90 V92
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D115 H153 N264 A324
• Catalytic site (residue number reindexed from 1): D37 H75 N186 A246
• 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:2z30, PDBe:2z30, PDBj:2z30
• PDBsum: 2z30
• PubMed: 17706669
• UniProt: P58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)