Structure of PDB 4ts5 Chain B Binding Site BS02

Receptor Information
>4ts5 Chain B (length=209) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKIPVKVVTWDEIVSLSTKLAEKIKADEYNVNVIVAIARGGLVPARLVAD
VLGVFDILSIKIEHWIETASHTPEAKVKYPFKVDLSDKNVLIIDDITDTG
DSIELARKYVMENFRPTEVKTATLQYIKPAAKIIPDYYAEEIVSWAWFMY
PWNYWEDEINLVNKILIERKTKDIDINELKRNFVESYGIENPPISLDKIL
TEMKRRKIV
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 chain4ts5 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ts5 Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R40 K62 H65
Binding residue
(residue number reindexed from 1)		R39 K61 H64
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D95 D96 D99
Catalytic site (residue number reindexed from 1) D94 D95 D98
Enzyme Commision number 2.4.2.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4ts5, PDBe:4ts5, PDBj:4ts5
PDBsum4ts5
PubMed25790177
UniProtQ97W95

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