Structure of PDB 1brw Chain A Binding Site BS01

Receptor Information
>1brw Chain A (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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1brw Chain A Residue 2001 [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]
PDB1brw The crystal structure of pyrimidine nucleoside phosphorylase in a closed conformation.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K81 H82 S83 T92 K108
Binding residue
(residue number reindexed from 1)		K81 H82 S83 T92 K108
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H82 D161 R168 S183 K187
Catalytic site (residue number reindexed from 1) H82 D161 R168 S183 K187
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1brw, PDBe:1brw, PDBj:1brw
PDBsum1brw
PubMed9817849
UniProtP77836|PDP_GEOSE Pyrimidine-nucleoside phosphorylase (Gene Name=pdp)

[Back to BioLiP]