Structure of PDB 3s1f Chain A Binding Site BS02

Receptor Information
>3s1f Chain A (length=498) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTADLV
ALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPR
INVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWTEYLYLTVGGTLSNA
GISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQF
GVITRARIAVEPAPARARWVRLVYTDFAAFSADQERLTAPRPASFGPMSY
VEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNY
DNATAAAAAVDQELASVLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALN
KLGLWRVPHPWLNMFVPRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKS
MWDDGMSAATPSEDVFYAVSLLFSSVAPNDLARLQEQNRRILRFCDLAGI
QYKTYLARHTDRSDWVRHFGAAKWNRFVEMKNKYDPKRLLSPGQDIFN
Ligand information
Ligand IDZIP
InChIInChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyHYVABZIGRDEKCD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n2c1c(ncn1)c(nc2)NC\C=C(/C)C
OpenEye OEToolkits 1.5.0CC(=CCNc1c2c([nH]cn2)ncn1)C
CACTVS 3.341CC(C)=CCNc1ncnc2[nH]cnc12
FormulaC10 H13 N5
NameN-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE;
ISOPENTENYLADENINE
ChEMBLCHEMBL476189
DrugBankDB08768
ZINCZINC000000032351
PDB chain3s1f Chain A Residue 536 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3s1f Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E169 V378 E381 W397 L458
Binding residue
(residue number reindexed from 1)		E137 V342 E345 W361 L422
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H105 E169 E288
Catalytic site (residue number reindexed from 1) H73 E137 E252
Enzyme Commision number 1.5.99.12: cytokinin dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0019139 cytokinin dehydrogenase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0009690 cytokinin metabolic process
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3s1f, PDBe:3s1f, PDBj:3s1f
PDBsum3s1f
PubMed26519657
UniProtQ9T0N8|CKX1_MAIZE Cytokinin dehydrogenase 1 (Gene Name=CKX1)

[Back to BioLiP]