Structure of PDB 5cup Chain A Binding Site BS04

Receptor Information
>5cup Chain A (length=189) Species: 316056 (Rhodopseudomonas palustris BisB18) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPFQVAVGVSNRHIHLSRTDMDTLFGPGAELQRKKAMKQPGQFAAEETVT
LKGPKGSLSKVRVLGPLRRETQVEVSVADGFALGITPPLRQSGQLDDTPG
LTIIGPQGSVTKDHGVIVAQRHIHMHPSTAAKLGLRNGDEVDVEAGGERG
GVMHRVLIRVAEASADEMHIDVEEANALCLKNDDVVRIC
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 chain5cup Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cup The Structural Basis of Coenzyme A Recycling in a Bacterial Organelle.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S52 T54 D55
Binding residue
(residue number reindexed from 1)		S17 T19 D20
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.222: phosphate propanoyltransferase.
Gene Ontology
Molecular Function
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:5cup, PDBe:5cup, PDBj:5cup
PDBsum5cup
PubMed26959993
UniProtQ21A54|PDUL_RHOPB Phosphate propanoyltransferase (Gene Name=pduL)

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