Structure of PDB 7bgn Chain E Binding Site BS04

Receptor Information
>7bgn Chain E (length=202) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAVDSLLDSVKWDNKGLAVAIAQNVDTGAILMQGFANREAVATTISSRKA
TFYSRSRSSLWTKGETSNNFINVHDVFLDCDRDSIIYLGKPDGPTCHTGA
ETCYYTPVFDNKLALTSLYALESTISQRKAEVSWTKRLLLNDKLLCSKIR
EEANELCETLENNEDKSRTASEMADVLYHAMVLLALKDVKVEEVLQVLRQ
RF
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 chain7bgn Chain E Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bgn Structural and mechanistic insights into the bifunctional HISN2 enzyme catalyzing the second and third steps of histidine biosynthesis in plants.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W107 K109 T112 S113 H143
Binding residue
(residue number reindexed from 1)		W61 K63 T66 S67 H97
Annotation score3
Enzymatic activity
Enzyme Commision number 3.-.-.-
3.5.4.19: phosphoribosyl-AMP cyclohydrolase.
3.6.1.31: phosphoribosyl-ATP diphosphatase.
Gene Ontology
Molecular Function
GO:0004635 phosphoribosyl-AMP cyclohydrolase activity
GO:0004636 phosphoribosyl-ATP diphosphatase activity
Biological Process
GO:0000105 L-histidine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7bgn, PDBe:7bgn, PDBj:7bgn
PDBsum7bgn
PubMed33958623
UniProtA0A072U2X9

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