Structure of PDB 5zbk Chain A Binding Site BS01

Receptor Information
>5zbk Chain A (length=182) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLRSVCVFCGASPGASPVYQEAAVALGRHLAERGLTLVYGGGAVGLMGTV
ADAALAAGGEVIGIIPQSLQEAEIGHKGLTRLEVVDGMHARKARMAELAD
AFIALPGGLGTLEALFEVWTWGQLGYHAKPLGLLEVNGFYDPLLTFLDHL
VDERFVRAEHRGMLQRGASPEALLDALAAWTP
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 chain5zbk Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zbk Structural insight into molecular mechanism of cytokinin activating protein from Pseudomonas aeruginosa PAO1.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A12 E74 M89 R92 K93 G109 G111 T112
Binding residue
(residue number reindexed from 1)		A11 E73 M88 R91 K92 G108 G110 T111
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.2.4: AMP nucleosidase.
3.2.2.n1: cytokinin riboside 5'-monophosphate phosphoribohydrolase.
Gene Ontology
Molecular Function
GO:0008714 AMP nucleosidase activity
GO:0016787 hydrolase activity
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0102682 cytokinin riboside 5'-monophosphate phosphoribohydrolase activity
Biological Process
GO:0009691 cytokinin biosynthetic process
Cellular Component
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:5zbk, PDBe:5zbk, PDBj:5zbk
PDBsum5zbk
PubMed29901273
UniProtP48636|LOGH_PSEAE Cytokinin riboside 5'-monophosphate phosphoribohydrolase (Gene Name=PA4923)

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