Structure of PDB 7dah Chain F Binding Site BS03

Receptor Information
>7dah Chain F (length=287) Species: 579112 (Vibrio cholerae M66-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTQRLRIAIQKKGRLSQECQELLKKCGVKFNIMGERLVVHSLNMPIDLLL
VRDDDIPGLIMDGVVDLGFVGENVLEETRLDRLALNQRNEFTTLRRMDFG
GCRLSIAIEKDAEYRGPQDLNGKRIATTYPQLLKAYMDRQGVDFSTCMLT
GSVEVAPRAGLADAIADLVSTGATLEANGLKEVEVIFESKATLIQRPGAF
AADKAALIDKLLTRMHGVQQAKESKYIMLHAPVEKLAQIKTLLPGAEDPT
VAVHMVSSENLFWETMEQLKALGASSILVLPIEKMME
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7dah Chain F Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dah Adenosine triphosphate phosphoribosyltransferase from Vibrio cholerae in complex with ATP and PRPP
Resolution2.92 Å
Binding residue
(original residue number in PDB)		Q17 R21 R59 D60 D61 N80 G107 G108 C109 L175
Binding residue
(residue number reindexed from 1)		Q10 R14 R52 D53 D54 N73 G100 G101 C102 L168
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

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

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