Structure of PDB 1bd4 Chain C Binding Site BS03
Receptor Information
>1bd4 Chain C (length=224) Species:
5811
(Toxoplasma gondii) [
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QEESILQDIITRFPNVVLMKQTAQLRAMMTIIRDKETPKEEFVFYADRLI
RLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESG
LRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATA
GSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVD
ICLNSRYYIVPGIGDFGDRYFGTM
Ligand information
Ligand ID
URA
InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey
ISAKRJDGNUQOIC-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
O=C1NC=CC(=O)N1
ACDLabs 10.04
O=C1C=CNC(=O)N1
OpenEye OEToolkits 1.5.0
C1=CNC(=O)NC1=O
Formula
C4 H4 N2 O2
Name
URACIL
ChEMBL
CHEMBL566
DrugBank
DB03419
ZINC
ZINC000000895045
PDB chain
1bd4 Chain C Residue 999 [
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Receptor-Ligand Complex Structure
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PDB
1bd4
Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
M166 Y228 G234 D235
Binding residue
(residue number reindexed from 1)
M146 Y208 G214 D215
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
R137 T141 D235 D238
Catalytic site (residue number reindexed from 1)
R117 T121 D215 D218
Enzyme Commision number
2.4.2.9
: uracil phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0004845
uracil phosphoribosyltransferase activity
GO:0005525
GTP binding
GO:0016757
glycosyltransferase activity
Biological Process
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:1bd4
,
PDBe:1bd4
,
PDBj:1bd4
PDBsum
1bd4
PubMed
9628859
UniProt
Q26998
|UPP_TOXGO Uracil phosphoribosyltransferase (Gene Name=uprt)
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