Structure of PDB 1xtt Chain B Binding Site BS01

Receptor Information
>1xtt Chain B (length=208) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLYVIDKPITLHILTQLRDKYTDQINFRKNLVRLGRILGYEISNTLDYEI
VEVETPLGVKTKGVDITDLNNIVIINILRAAVPLVEGLLKAFPKARQGVI
GASRVPKDMDVYIYYKKIPDIRAKVDNVIIADPMIATASTMLKVLEEVVK
ANPKRIYIVSIISSEYGVNKILSKYPFIYLFTVAIDPELNNKGYILPGLG
DAGDRAFG
Ligand information
Ligand IDU5P
InChIInChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyDJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NameURIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL214393
DrugBankDB03685
ZINCZINC000002123545
PDB chain1xtt Chain B Residue 2250 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xtt Allosteric Regulation and Communication between Subunits in Uracil Phosphoribosyltransferase from Sulfolobus solfataricus(,)
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R80 D140 M142 A144 T145 A146 T148 Y202 I203 G208 D209 A210
Binding residue
(residue number reindexed from 1)		R79 D132 M134 A136 T137 A138 T140 Y194 I195 G200 D201 A202
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R105 D116 D209 D212
Catalytic site (residue number reindexed from 1) R104 D108 D201 D204
Enzyme Commision number 2.4.2.9: uracil phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004422 hypoxanthine phosphoribosyltransferase activity
GO:0004845 uracil phosphoribosyltransferase activity
GO:0005525 GTP binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006178 guanine salvage
GO:0006223 uracil salvage
GO:0008655 pyrimidine-containing compound salvage
GO:0032263 GMP salvage
GO:0032264 IMP salvage
GO:0044206 UMP salvage
GO:0046100 hypoxanthine metabolic process
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:1xtt, PDBe:1xtt, PDBj:1xtt
PDBsum1xtt
PubMed15654744
UniProtQ980Q4|UPP_SACS2 Uracil phosphoribosyltransferase (Gene Name=upp)

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