Structure of PDB 1uf9 Chain B Binding Site BS01

Receptor Information
>1uf9 Chain B (length=191) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHPIIIGITGNIGSGKSTVAALLRSWGYPVLDLDALAARARENKEEELKR
LFPEAVVGGRLDRRALARLVFSDPERLKALEAVVHPEVRRLLMEELSRLE
APLVFLEIPLLFEKGWEGRLHGTLLVAAPLEERVRRVMARSGLSREEVLA
RERAQMPEEEKRKRATWVLENTGSLEDLERALKAVLAELTG
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1uf9 Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uf9 ATP-induced structural change of dephosphocoenzyme A kinase from Thermus thermophilus HB8
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G20 S22
Binding residue
(residue number reindexed from 1)		G15 S17
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.24: dephospho-CoA kinase.
Gene Ontology
Molecular Function
GO:0004140 dephospho-CoA kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0015937 coenzyme A biosynthetic process
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uf9, PDBe:1uf9, PDBj:1uf9
PDBsum1uf9
PubMed15526298
UniProtQ56416|COAE_THET8 Dephospho-CoA kinase (Gene Name=coaE)

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