Structure of PDB 1vst Chain A Binding Site BS01

Receptor Information
>1vst 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 IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain1vst Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vst Structural and kinetic studies of the allosteric transition in Sulfolobus solfataricus uracil phosphoribosyltransferase: Permanent activation by engineering of the C-terminus
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K30 R34
Binding residue
(residue number reindexed from 1)		K29 R33
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:1vst, PDBe:1vst, PDBj:1vst
PDBsum1vst
PubMed19683539
UniProtQ980Q4|UPP_SACS2 Uracil phosphoribosyltransferase (Gene Name=upp)

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