Structure of PDB 7dah Chain C Binding Site BS03

Receptor Information
>7dah Chain C (length=288) Species: 579112 (Vibrio cholerae M66-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQRLRIAIQKKGRLSQECQELLKKCGVKFNIMGERLVVHSLNMPIDLLLV
RDDDIPGLIMDGVVDLGFVGENVLEETRLDRLALNQRNEFTTLRRMDFGG
CRLSIAIEKDAEYRGPQDLNGKRIATTYPQLLKAYMDRQGVDFSTCMLTG
SVEVAPRAGLADAIADLVSTGATLEANGLKEVEVIFESKATLIQRPGAFA
ADKAALIDKLLTRMHGVQQAKESKYIMLHAPVEKLAQIKTLLPGAEDPTV
PLAVHMVSSENLFWETMEQLKALGASSILVLPIEKMME
Ligand information
Ligand IDPRP
InChIInChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKeyPQGCEDQWHSBAJP-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(=O)O[P](O)(O)=O
FormulaC5 H13 O14 P3
Name1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose;
ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID;
1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;
1-O-pyrophosphono-5-O-phosphono-D-ribose;
1-O-pyrophosphono-5-O-phosphono-ribose
ChEMBL
DrugBankDB01632
ZINCZINC000008215630
PDB chain7dah Chain C Residue 403 [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]
PDB7dah Adenosine triphosphate phosphoribosyltransferase from Vibrio cholerae in complex with ATP and PRPP
Resolution2.92 Å
Binding residue
(original residue number in PDB)		G158 S159 E161 L175 S177 T178 G179 A180 T181
Binding residue
(residue number reindexed from 1)		G150 S151 E153 L167 S169 T170 G171 A172 T173
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.17: ATP phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003879 ATP phosphoribosyltransferase activity
GO:0005524 ATP binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7dah, PDBe:7dah, PDBj:7dah
PDBsum7dah
PubMed
UniProtQ9KSX4|HIS1_VIBCH ATP phosphoribosyltransferase (Gene Name=hisG)

[Back to BioLiP]