Structure of PDB 1ibs Chain A Binding Site BS01

Receptor Information
>1ibs Chain A (length=297) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLKIFSLNSNPELAKEIADIVGVQLGKCSVTRFSDGEVQINIEESIRGCD
CYIIQSTSDPVNEHIMELLIMVDALKRASAKTINIVIPYYGYARQDRKSR
EPITAKLFANLLETAGATRVIALDLHAPQIQGFFDIPIDHLMGVPILGEY
FEGKNLEDIVIVSPDHGGVTRARKLADRLKAPIAIIDKRMNIVGNIEGKT
AILIDDIIDTAGTITLAANALVENGAKEVYACCTHPVLSGPAVERINNST
IKELVVTNSIKLPEEKKIERFKQLSVGPLLAEAIIRVHEQQSVSYLF
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1ibs Chain A Residue 1002 [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]
PDB1ibs Binding of cations in Bacillus subtilis phosphoribosyldiphosphate synthetase and their role in catalysis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D227 T228 A229 T231
Binding residue
(residue number reindexed from 1)		D209 T210 A211 T213
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.6.1: ribose-phosphate diphosphokinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004749 ribose phosphate diphosphokinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006015 5-phosphoribose 1-diphosphate biosynthetic process
GO:0006164 purine nucleotide biosynthetic process
GO:0009156 ribonucleoside monophosphate biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0016310 phosphorylation
GO:0044249 cellular biosynthetic process
Cellular Component
GO:0002189 ribose phosphate diphosphokinase complex
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ibs, PDBe:1ibs, PDBj:1ibs
PDBsum1ibs
PubMed11790837
UniProtP14193|KPRS_BACSU Ribose-phosphate pyrophosphokinase (Gene Name=prs)

[Back to BioLiP]