Structure of PDB 4yb6 Chain E Binding Site BS02

Receptor Information
>4yb6 Chain E (length=293) Species: 195099 (Campylobacter jejuni RM1221) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTRLRIAIQKSGRLSKESIELLSECGVKMHISLIAFSTNLPIDILRVRDD
DIPGLIFDGVVDLGIIGENVLEENELERQSLGENPSYKLLKKLDFGYCRL
SLALPQENKFQNLKDFEGLRIATSYPQLLKRFMKENGINYKNCTLTGSVE
VAPRANLADAICDLVSSGATLQANNLKEVKVIYESRACLIQKENALSKEK
QALVDKIMLRVAGVMQARESKYIMLHAPKEKLDKIQALLPGVERPTILPL
AHDEKNVALHMVSKENLFWETMEALKEEGASSILVLPIEKMLK
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4yb6 Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yb6 Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		L170 S172 S173 G174 T176
Binding residue
(residue number reindexed from 1)		L164 S166 S167 G168 T170
Annotation score4
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:4yb6, PDBe:4yb6, PDBj:4yb6
PDBsum4yb6
PubMed27191057
UniProtQ5HSJ4|HIS1_CAMJR ATP phosphoribosyltransferase (Gene Name=hisG)

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