Structure of PDB 6czm Chain E Binding Site BS01

Receptor Information
>6czm Chain E (length=342) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGNTVSRQEIRLGLPSKGRMSSDTLDLLKDCQLSVKQVNPRQYVAQIPQI
SNLEVWFQRPKDIVRKLLSGDLDLGIVGLDVLTEFGQGNEDLIVVHEALE
YGDCRLSIAIPQYGIFENVNSLEELAKMPQWTEDKPLRVATGFTYLGPKF
MKDNGIKHVAFSTADGALEAAPAMGIADAILDLVSSGTTLKENNLKEIEG
GTVLESQAALVASRRSMIGRKGVLETTHEMLERLEAHLRAMGQFTVVANM
RGSSAEEVAERVLSQPSLAGLQGPTVSPVFCKRDGKVSADYYAIVICVPK
KALYKSIQQLRAIGGSGVLVSPLTYIFDEETPRWRQLLSKLG
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 chain6czm Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6czm Guarding the gateway to histidine biosynthesis in plants:Medicago truncatulaATP-phosphoribosyltransferase in relaxed and tense states.
Resolution2.88 Å
Binding residue
(original residue number in PDB)		C134 D212 L213 S215 S216 G217 T219
Binding residue
(residue number reindexed from 1)		C104 D182 L183 S185 S186 G187 T189
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.2.17: ATP phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0003879 ATP phosphoribosyltransferase activity
GO:0016757 glycosyltransferase 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:6czm, PDBe:6czm, PDBj:6czm
PDBsum6czm
PubMed30072492
UniProtG7JFL4

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