Structure of PDB 1xtu Chain A Binding Site BS02

Receptor Information
>1xtu Chain A (length=215) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLYVIDKPITLHILTQLRDKYTDQINFRKNLVRLGRILGYEISNTLDYEI
VEVETPLGVKTKGVDITDLNNIVIINILRAAVPLVEGLLKAFPKARQGVI
GASRVEVDGKEVPKDMDVYIYYKKIPDIRAKVDNVIIADPMIATASTMLK
VLEEVVKANPKRIYIVSIISSEYGVNKILSKYPFIYLFTVAIDPELNNKG
YILPGLGDAGDRAFG
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain1xtu Chain A Residue 1260 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xtu Allosteric Regulation and Communication between Subunits in Uracil Phosphoribosyltransferase from Sulfolobus solfataricus(,)
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R29 K30 R37
Binding residue
(residue number reindexed from 1)		R28 K29 R36
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R105 D116 D209 D212
Catalytic site (residue number reindexed from 1) R104 D115 D208 D211
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xtu, PDBe:1xtu, PDBj:1xtu
PDBsum1xtu
PubMed15654744
UniProtQ980Q4|UPP_SACS2 Uracil phosphoribosyltransferase (Gene Name=upp)

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