Structure of PDB 3wiu Chain C Binding Site BS01

Receptor Information
>3wiu Chain C (length=394) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTIRVIVSVDKAKFNPHEVLGIGGHIVYQFKLIPAVVVDVPANAVGKLKK
MPGVEKVEFDHQAVLLGKPSWLGGSTQPAQTIPWGIERVKAPSVWSITDG
SVSVIQVAVLDTGVDYDHPDLAANIAWCVSTLRGKVSTKLRDCADQNGHG
THVIGTIAALNNDIGVVGVAPGVQIYSVRVLDARGSGSYSDIAIGIEQAI
LGPDGVADKDGDGIIAGDPDDDAAEVISMSLGGPADDSYLYDMIIQAYNA
GIVIVAASGNEGAPSPSYPAAYPEVIAVGAIDSNDNIASFSNRQPEVSAP
GVDILSTYPDDSYETLMGTAMATPHVSGVVALIQAAYYQKYGKIAPVGTF
DDISKNTVRGILHITADDLGPTGWDADYGYGVVRAALAVQAALG
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 chain3wiu Chain C Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wiu Requirement of the insertion sequence for activation of Tk-subtilisin
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Q84 D124 L164 N166 I168 V170
Binding residue
(residue number reindexed from 1)		Q80 D120 L160 N162 I164 V166
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D115 H153 N264 A324
Catalytic site (residue number reindexed from 1) D111 H149 N260 A320
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:3wiu, PDBe:3wiu, PDBj:3wiu
PDBsum3wiu
PubMed
UniProtP58502|TKSU_THEKO Tk-subtilisin (Gene Name=TK1675)

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