Structure of PDB 4trb Chain B Binding Site BS01

Receptor Information
>4trb Chain B (length=209) Species: 273057 (Saccharolobus solfataricus P2) [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 chain4trb Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4trb 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)		A39 R40 K62
Binding residue
(residue number reindexed from 1)		A38 R39 K61
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:4trb, PDBe:4trb, PDBj:4trb
PDBsum4trb
PubMed25790177
UniProtQ97W95

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