Structure of PDB 1o5o Chain C Binding Site BS01

Receptor Information
>1o5o Chain C (length=210) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKNLVVVDHPLIKHKLTIMRDKNTGPKEFRELLREITLLLAYEATRHLK
CEEVEVETPITKTIGYRINDKDIVVVPILRAGLVMADGILELLPNASVGH
IGIYRDPETLQAVEYYAKLPPLNDDKEVFLLDPMLATGVSSIKAIEILKE
NGAKKITLVALIAAPEGVEAVEKKYEDVKIYVAALDERLNDHGYIIPGLG
DAGDRLFRTK
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 chain1o5o Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1o5o Crystal structure of Uracil phosphoribosyltransferase (TM0721) from Thermotoga maritima at 2.30 A resolution
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R104 M133 A135 T136 G137 S139 Y193 I194 G199
Binding residue
(residue number reindexed from 1)		R105 M134 A136 T137 G138 S140 Y194 I195 G200
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R104 T108 D200 D203
Catalytic site (residue number reindexed from 1) R105 T109 D201 D204
Enzyme Commision number 2.4.2.9: uracil phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004845 uracil phosphoribosyltransferase activity
GO:0005525 GTP binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006223 uracil salvage
GO:0008655 pyrimidine-containing compound salvage
GO:0044206 UMP salvage
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1o5o, PDBe:1o5o, PDBj:1o5o
PDBsum1o5o
PubMed
UniProtQ9WZI0|UPP_THEMA Uracil phosphoribosyltransferase (Gene Name=upp)

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