Structure of PDB 1lh0 Chain B Binding Site BS01

Receptor Information
>1lh0 Chain B (length=206) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLG
RFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRK
EGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQ
ERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAY
REEFGV
Ligand information
Ligand IDPRP
InChIInChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKeyPQGCEDQWHSBAJP-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(=O)O[P](O)(O)=O
FormulaC5 H13 O14 P3
Name1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose;
ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID;
1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;
1-O-pyrophosphono-5-O-phosphono-D-ribose;
1-O-pyrophosphono-5-O-phosphono-ribose
ChEMBL
DrugBankDB01632
ZINCZINC000008215630
PDB chain1lh0 Chain B Residue 5002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lh0 Structure of Salmonella typhimurium OMP Synthase in a Complete Substrate Complex.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K2026 Y2072 K2073 K2100 D2124 D2125 V2126 T2128 A2129 G2130 T2131 A2132
Binding residue
(residue number reindexed from 1)		K26 Y72 K73 K100 D117 D118 V119 T121 A122 G123 T124 A125
Annotation score5
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:1lh0, PDBe:1lh0, PDBj:1lh0
PDBsum1lh0
PubMed22531064
UniProtP08870|PYRE_SALTY Orotate phosphoribosyltransferase (Gene Name=pyrE)

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