Structure of PDB 1sto Chain A Binding Site BS01

Receptor Information
>1sto Chain A (length=208) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLG
RFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRK
AAGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLD
RQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVR
AYREEFGV
Ligand information
Ligand IDOMP
InChIInChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
InChIKeyKYOBSHFOBAOFBF-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O
OpenEye OEToolkits 1.7.5C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O
ACDLabs 10.04O=C(O)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
FormulaC10 H13 N2 O11 P
NameOROTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL1207358
DrugBankDB02957
ZINCZINC000004095542
PDB chain1sto Chain A Residue 216 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sto Crystal structure of orotate phosphoribosyltransferase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L25 K26 F34 F35 V126 I127 T128 A129 T131 R156
Binding residue
(residue number reindexed from 1)		L25 K26 F34 F35 V121 I122 T123 A124 T126 R151
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.2.10: orotate phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004588 orotate phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0044205 'de novo' UMP biosynthetic process
GO:0046132 pyrimidine ribonucleoside biosynthetic process
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0072528 pyrimidine-containing compound biosynthetic process
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:1sto, PDBe:1sto, PDBj:1sto
PDBsum1sto
PubMed8312245
UniProtP08870|PYRE_SALTY Orotate phosphoribosyltransferase (Gene Name=pyrE)

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