Structure of PDB 1w1r Chain A Binding Site BS02

Receptor Information
>1w1r Chain A (length=479) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTGDLVALLSAAN
STPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPRINVSADG
RYVDAGGEQVWIDVLRASLARGVAPRSWTDYLYLTVGGTLSNAGISGQAF
RHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQFGVITRAR
IAVEPAPARARWVRFVYTDFAAFSADQERLTAPRSFGPMSYVEGSVFVNQ
SLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYAAVDQELAS
VLGTLSYVEGFAFQRDVAYAAFLDRVHGEEVALNKLGLWRVPHPWLNMFV
PRSRIADFDRGVFKGILQGTDIVGPLIVYPLNKSMWDDGMSAATPSEDVF
YAVSLLFSSNDLARLQEQNRRILRFCDLAGIQYKTYLARHTDRSDWVRHF
GAAKWNRFVEMKNKYDPKRLLSPGQDIFN
Ligand information
Ligand IDZEA
InChIInChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
InChIKeyUZKQTCBAMSWPJD-FARCUNLSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5CC(=CCNc1c2c([nH]cn2)ncn1)CO
OpenEye OEToolkits 1.7.5C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO
CACTVS 3.385CC(/CO)=C\CNc1ncnc2[nH]cnc12
CACTVS 3.385CC(CO)=CCNc1ncnc2[nH]cnc12
ACDLabs 10.04n2c1c(ncn1)c(nc2)NC\C=C(/C)CO
FormulaC10 H13 N5 O
Name(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
TRANS-ZEATIN
ChEMBLCHEMBL525239
DrugBankDB11337
ZINCZINC000004492895
PDB chain1w1r Chain A Residue 1536 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w1r Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D169 V378 W397 I429 S456 L458
Binding residue
(residue number reindexed from 1)		D130 V326 W345 I377 S404 L406
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H105 D169 E288
Catalytic site (residue number reindexed from 1) H66 D130 E243
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1w1r, PDBe:1w1r, PDBj:1w1r
PDBsum1w1r
PubMed15321719
UniProtQ9T0N8|CKX1_MAIZE Cytokinin dehydrogenase 1 (Gene Name=CKX1)

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