Structure of PDB 1h3d Chain A Binding Site BS01

Receptor Information
>1h3d Chain A (length=288) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLRIAMQKSGRLSDDSRELLARCGIKINLHTQRLIAMAENMPIDILRVR
DDDIPGLVMDGVVDLGIIGENVLEEELLNRRAQGEDPRYFTLRRLDFGGC
RLSLATPVDEAWDGPLSLNGKRIATSYPHLLKRYLDQKGISFKSCLLNGS
VEVAPRAGLADAICDLVSTGATLEANGLREVEVIYRSKACLIQRDGEMEE
SKQQLIDKLLTRIQGVIQARESKYIMMHAPTERLDEVIALLPGAERPTIL
PLAMHMVSSETLFWETMEKLKALGASSILVLPIEKMME
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 chain1h3d Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h3d The Structure of Escherichia Coli ATP-Phosphoribosyltransferase: Identification of Substrate Binding Sites and Mode of AMP Inhibition
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R16 E156 D169 L170 S172 T173 G174 A175 T176
Binding residue
(residue number reindexed from 1)		R12 E152 D165 L166 S168 T169 G170 A171 T172
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
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1h3d, PDBe:1h3d, PDBj:1h3d
PDBsum1h3d
PubMed14741209
UniProtP60757|HIS1_ECOLI ATP phosphoribosyltransferase (Gene Name=hisG)

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