Structure of PDB 8cm2 Chain A Binding Site BS01

Receptor Information
>8cm2 Chain A (length=460) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGRLSVDASDIAEASRDFGGVARAEPMAVFHPRAAGDVAGLVGAAFRSAR
GFRVSARGHGHSISGQAQAAGGVVVDMSRGVARALPVHSAALGGHYVDVW
GGELWVDVLNWTLSHGGLAPRSWTDYLYLSVGGTLSNAGISGQAFHHGPQ
ISNVYELDVVTGKGEVVTCSETENPDLFFGVLGGLGQFGIITRARIALER
APKRVRWIRALYSNFSEFTADQERLISLGSGGGRRFDYVEGFVVAAEHSS
VLYCLEVTKNYDDETAGSVDQDVDTLLGELNFLPGTVFTTDLPYVDFLDR
VHKAELKLRAKGMWEVPHPWLNLFVPASRIADFDRGVFRGVLGGRTAGGP
VLIYPMNKHKWDPRSSAVTPDEEVFYLVAFLRSALPGAPESLEALARQNQ
RILDFCAGTGIGAKQYLPGHKARHEWAEHFGAARWDRFARLKAEFDPRAI
LAAGQGIFRP
Ligand information
Ligand IDV1X
InChIInChI=1S/C17H14Cl2F3N3O4/c18-8-5-12(19)10(3-4-26)13(6-8)24-16(28)25-14-7-9(29-17(20,21)22)1-2-11(14)15(23)27/h1-2,5-7,26H,3-4H2,(H2,23,27)(H2,24,25,28)
InChIKeyZBQIFPAPLDHKHL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2CCO)Cl)Cl)C(=O)N
CACTVS 3.385NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2CCO
FormulaC17 H14 Cl2 F3 N3 O4
Name2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide;
2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide
ChEMBL
DrugBank
ZINC
PDB chain8cm2 Chain A Residue 601 [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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PDB8cm2 Cytokinin oxidase/dehydrogenase inhibitors: progress toward a practice
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D170 V370 L377 W389 N391 L423 Y425 L448 L452 Y487
Binding residue
(residue number reindexed from 1)		D125 V301 L308 W320 N322 L352 Y354 L377 L381 Y416
Annotation score1
Enzymatic activity
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:8cm2, PDBe:8cm2, PDBj:8cm2
PDBsum8cm2
PubMed38776394
UniProtE3T1W8

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