Structure of PDB 4wn3 Chain A Binding Site BS01

Receptor Information
>4wn3 Chain A (length=220) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IMLEDYQKNFLELAIECQALRFGSFKLKSGRESPYFFNLGLFNTGKLLSN
LATAYAIAIIQSDLKFDVIFGPAYKGIPLAAIVCVKLAEIGGSKFQNIQY
AFNRKEAKDGGIIVGSALENKRILIIDDVMTAGTAINEAFEIISNAKGQV
VGSIIALDRQEVVSTDDKEGLSATQTVSKKYGIPVLSIVSLIHIITYLEG
RITAEEKSKIEQYLQTYGAS
Ligand information
Ligand ID3R3
InChIInChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKeyFCRMTSGXHCKCEX-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C1C(C(C(O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.385O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
FormulaC5 H14 N O13 P3
Name[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
ChEMBL
DrugBank
ZINCZINC000301054532
PDB chain4wn3 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4wn3 Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(NH)P
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y75 K76 D131 D132 V133 M134 T135 A136 G137 T138 A139
Binding residue
(residue number reindexed from 1)		Y74 K75 D127 D128 V129 M130 T131 A132 G133 T134 A135
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K109
Catalytic site (residue number reindexed from 1) K108
Enzyme Commision number 2.4.2.10: orotate phosphoribosyltransferase.
Gene Ontology
Molecular Function
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:0005634 nucleus
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4wn3, PDBe:4wn3, PDBj:4wn3
PDBsum4wn3
PubMed
UniProtP13298|PYRE_YEAST Orotate phosphoribosyltransferase 1 (Gene Name=URA5)

[Back to BioLiP]