Structure of PDB 8jfs Chain A Binding Site BS01

Receptor Information
>8jfs Chain A (length=87) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLTALVSGHVQGVGYRLFVQRYARDLGLHGYAENLSDGKVEVIAEGDED
ALNRLLHWLRRGPPHARVQAVDTQYSEETGLREFHIY
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 chain8jfs Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jfs Crystal structure of phosphate bound Acyl phosphatase mini-enzyme from Deinococcus radiodurans at 1 angstrom resolution.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		V11 Q12 G13 Y16 R17 N35
Binding residue
(residue number reindexed from 1)		V11 Q12 G13 Y16 R17 N35
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.7: acylphosphatase.
Gene Ontology
Molecular Function
GO:0003998 acylphosphatase activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:8jfs, PDBe:8jfs, PDBj:8jfs
PDBsum8jfs
PubMed37302289
UniProtQ9RVU3|ACYP_DEIRA Acylphosphatase (Gene Name=acyP)

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