Structure of PDB 5iao Chain A Binding Site BS01

Receptor Information
>5iao Chain A (length=171) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESRELMSAADVGRTISRIAHQIIEKTALDDPVGPDAPRVVLLGIPTRGVT
LANRLAGNITEYSGIHVGHGALDITLYRDSTSIPAGGIDDALVILVDDVL
YSGRSVRSALDALRDVGRPRAVQLAVLVDRGHRELPLRADYVGKNVPTSR
SESVHVRLREHDGRDGVVISR
Ligand information
Ligand IDURF
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyGHASVSINZRGABV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)F
ACDLabs 10.04
CACTVS 3.341		FC1=CNC(=O)NC1=O
FormulaC4 H3 F N2 O2
Name5-FLUOROURACIL
ChEMBLCHEMBL185
DrugBankDB00544
ZINCZINC000038212689
PDB chain5iao Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iao Structure and mapping of spontaneous mutational sites of PyrR from Mycobacterium tuberculosis
Resolution2.598 Å
Binding residue
(original residue number in PDB)		R58 H177 R179
Binding residue
(residue number reindexed from 1)		R47 H155 R157
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.9: uracil phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0004845 uracil phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5iao, PDBe:5iao, PDBj:5iao
PDBsum5iao
PubMed26902118
UniProtP9WHK3|PYRR_MYCTU Bifunctional protein PyrR (Gene Name=pyrR)

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