Structure of PDB 3wiv Chain B Binding Site BS01

Receptor Information
>3wiv Chain B (length=389) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTIRVIVSVDKAKFNPHEVLGIGGHIVYQFKLIPAVVVDVPANAVGKLKK
MPGVEKVEFDHQAVLLGKPSWQPAQTIPWGIERVKAPSVWSITDGSVSVI
QVAVLDTGVDYDHPDLAANIAWCVSTLRGKVSTKLRDCADQNGHGTHVIG
TIAALNNDIGVVGVAPGVQIYSVRVLDARGSGSYSDIAIGIEQAILGPDG
VADKDGDGIIAGDPDDDAAEVISMSLGGPADDSYLYDMIIQAYNAGIVIV
AASGNEGAPSPSYPAAYPEVIAVGAIDSNDNIASFSNRQPEVSAPGVDIL
STYPDDSYETLMGTAMATPHVSGVVALIQAAYYQKYGKILPVGTFDAISK
NTVRGILHITADDLGPTGWDADYGYGVVRAALAVQAALG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3wiv Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wiv Requirement of the insertion sequence for activation of Tk-subtilisin
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q84 D124 L164 N166 I168 V170
Binding residue
(residue number reindexed from 1)		Q75 D115 L155 N157 I159 V161
Annotation score4
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3wiv, PDBe:3wiv, PDBj:3wiv
PDBsum3wiv
PubMed
UniProtP58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)

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