Structure of PDB 2z56 Chain A Binding Site BS01

Receptor Information

>2z56 Chain A (length=318) Species: 69014 (Thermococcus kodakarensis KOD1)

QPAQTIPWGIERVKAPSVWSITDGSVSVIQVAVLDTGVDYDHPDLAANIA
WCVSTLRGKVSTKLRDCADQNGHGTHVIGTIAALNNDIGVVGVAPGVQIY
SVRVLDARGSGSYSDIAIGIEQAILGPDGVADKDGDGIIAGDPDDDAAEV
ISMSLGGPADDSYLYDMIIQAYNAGIVIVAASGNEGAPSPSYPAAYPEVI
AVGAIDSNDNIASFSNRQPEVSAPGVDILSTYPDDSYETLMGTAMATPHV
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: 2z56 Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2z56 Requirement of left-handed glycine residue for high stability of the Tk-subtilisin propeptide as revealed by mutational and crystallographic analyses
• Resolution: 1.9 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 A324
• Catalytic site (residue number reindexed from 1): D35 H73 N184 A244
• 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:2z56, PDBe:2z56, PDBj:2z56
• PDBsum: 2z56
• PubMed: 17988685
• UniProt: P58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)