Structure of PDB 5zbl Chain C Binding Site BS01

Receptor Information
>5zbl Chain C (length=176) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLQRVTVFTGSALGSSSLYTQAAQTLAKTAVDRGIDLVYGGGKVGLMGIV
ADAFLESGGEAFGVITESGHEKLTELEIVPDMHIRKRRMAELGDGFIAMP
GGAGTLEELFEVWTWQQLGIHQKPVALYDVDGFWQPLLEMLEQMTQRGFI
KRDFFECLIVESDPHALLKAMQTWTP
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 chain5zbl Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zbl Structural insight into molecular mechanism of cytokinin activating protein from Pseudomonas aeruginosa PAO1.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G18 S19 R99 K100 G116 G118 T119 E121 E122
Binding residue
(residue number reindexed from 1)		G10 S11 R85 K86 G102 G104 T105 E107 E108
Annotation score3
Enzymatic activity
Enzyme Commision number 3.2.2.n1: cytokinin riboside 5'-monophosphate phosphoribohydrolase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:5zbl, PDBe:5zbl, PDBj:5zbl
PDBsum5zbl
PubMed29901273
UniProtQ8NN34

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