Structure of PDB 1brw Chain B Binding Site BS03

Receptor Information
>1brw Chain B (length=433) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRMVDLIAKKRDGKALTKEEIEWIVRGYTNGDIPDYQMSALAMAIYFRGM
TEEETAALTMAMVQSGEMLDLSSIRGVKVDKHSTGGVGDTTTLVLGPLVA
SVGVPVAKMSGRGLGHTGGTIDKLESVPGFHVEISKDEFIRLVNENGIAI
IGQTGDLTPADKKLYALRDVTATVNSIPLIASSIMSKKIAAGADAIVLDV
KTGAGAFMKKLDEARRLARVMVDIGKRVGRRTMAVISDMSQPLGYAVGNA
LEVKEAIETLKGNGPHDLTELCLTLGSHMVYLAEKAPSLDEARRLLEEAI
RSGAAIAAFKTFLAAQGGDASVVDDLDKLPKAAYTSTVTAAADGYVAEMA
ADDIGTAAMWLGAGRAKKEDVIDLAVGIVLHKKIGDRVQKGEALATIHSN
RPDVLDVKEKIEAAIRLSPQPVARPPLIYETIV
Ligand information
Ligand IDURA
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyISAKRJDGNUQOIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC=CC(=O)N1
ACDLabs 10.04O=C1C=CNC(=O)N1
OpenEye OEToolkits 1.5.0C1=CNC(=O)NC1=O
FormulaC4 H4 N2 O2
NameURACIL
ChEMBLCHEMBL566
DrugBankDB03419
ZINCZINC000000895045
PDB chain1brw Chain B Residue 5001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1brw The crystal structure of pyrimidine nucleoside phosphorylase in a closed conformation.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H1082 T1084 L1114 Y1165 I1180 S1183 I1184
Binding residue
(residue number reindexed from 1)		H82 T84 L114 Y165 I180 S183 I184
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D1080 K1081 H1082 S1083 T1120 D1161 R1168 S1183 K1187 K1188
Catalytic site (residue number reindexed from 1) D80 K81 H82 S83 T120 D161 R168 S183 K187 K188
Enzyme Commision number 2.4.2.2: pyrimidine-nucleoside phosphorylase.
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0004850 uridine phosphorylase activity
GO:0009032 thymidine phosphorylase activity
GO:0016154 pyrimidine-nucleoside phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0046872 metal ion binding
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0006206 pyrimidine nucleobase metabolic process
GO:0006213 pyrimidine nucleoside metabolic process
Cellular Component
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:1brw, PDBe:1brw, PDBj:1brw
PDBsum1brw
PubMed9817849
UniProtP77836|PDP_GEOSE Pyrimidine-nucleoside phosphorylase (Gene Name=pdp)

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