Structure of PDB 2ze5 Chain A Binding Site BS01

Receptor Information
>2ze5 Chain A (length=227) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLLHLIYGPTCSGKTDMAIQIAQETGWPVVALDRVQCCPQIATGSGRPLE
SELQSTRRIYLDSRPLTEGILDAESAHRRLIFEVDWRKSEEGLILEGGSI
SLLNCMAKSPFWRSGFQWHVKRLRLGDSDAFLTRAKQRVAEMFAIREDRP
SLLEELAELWNYPAARPILEDIDGYRCAIRFARKHDLAISQLPNIDAGRH
VELIEAIANEYLEHALSQERDFPQWPE
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 chain2ze5 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2ze5 Structural insight into the reaction mechanism and evolution of cytokinin biosynthesis.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		D33 R34 V35 S45 S99 I100 S101 D171 I172 D173 H214
Binding residue
(residue number reindexed from 1)		D33 R34 V35 S45 S99 I100 S101 D171 I172 D173 H214
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.27: adenylate dimethylallyltransferase (AMP-dependent).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009824 AMP dimethylallyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0009691 cytokinin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2ze5, PDBe:2ze5, PDBj:2ze5
PDBsum2ze5
PubMed18258747
UniProtP58758|IPTZ_AGRFC Adenylate dimethylallyltransferase (Gene Name=tzs)

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