Structure of PDB 5ubh Chain A Binding Site BS03

Receptor Information
>5ubh Chain A (length=217) Species: 195099 (Campylobacter jejuni RM1221) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTRLRIAIQKSGRLSKESIELLSECGVKMHIHEQSLIAFSTNLPIDILRV
RDDDIPGLIFDGVVDLGIIGENVLEENELERQSLGENPSYKLLKKLDFGY
CRLSLALPQENKFQNLKDFEGLRIATSYPQLLKRFMKENGINYKNCTLTG
SVEVAPRANLADAICDLVSSGATLQANNLKEVKVIYESRACLIQKENALS
KEKQALVDKIMLRVAGV
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 chain5ubh Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ubh A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q12 G15 R16 L17 R54 D55 N75 Y103 C104 S172
Binding residue
(residue number reindexed from 1)		Q9 G12 R13 L14 R51 D52 N72 Y100 C101 S169
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.17: ATP phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0003879 ATP phosphoribosyltransferase activity
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:5ubh, PDBe:5ubh, PDBj:5ubh
PDBsum5ubh
PubMed29208762
UniProtQ5HSJ4|HIS1_CAMJR ATP phosphoribosyltransferase (Gene Name=hisG)

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