Structure of PDB 8ckq Chain A Binding Site BS02

Receptor Information

>8ckq Chain A (length=456) Species: 4577 (Zea mays)

GGRLSVDASDIAEASRDFGGVARAEPMAVFHPRAAGDVAGLVGAAFRSAR
GFRVSARGHGHSISGQAQAAGGVVVDMSRVARALPVHSAALGGHYVDVWG
GELWVDVLNWTLSHGGLAPRSWTDYLYLSVGGTLSNAGISGQAFHHGPQI
SNVYELDVVTGKGEVVTCSETENPDLFFGVLGGLGQFGIITRARIALERA
PKRVRWIRALYSNFSEFTADQERLISLGSGGGRRFDYVEGFVVAAEGSVL
YCLEVTKNYDDETAGSVDQDVDTLLGELNFLPGTVFTTDLPYVDFLDRVH
KAELKLRAKGMWEVPHPWLNLFVPASRIADFDRGVFRGVLGGAGAGGPVL
IYPMNKHKWDPRSSAVTPDEEVFYLVAFLRSALPGAPESLEALARQNQRI
LDFCAGTGIGAKQYLPGHKARHEWAEHFGAARWDRFARLKAEFDPRAILA
AGQGIF

Ligand information

• Ligand ID: UZX
• InChI: InChI=1S/C14H11Cl2N3O2/c15-8-5-9(16)7-10(6-8)18-14(21)19-12-4-2-1-3-11(12)13(17)20/h1-7H,(H2,17,20)(H2,18,19,21)
• InChIKey: CKNONNNNSSNDHJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: NC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2
  OpenEye OEToolkits 2.0.7: c1ccc(c(c1)C(=O)N)NC(=O)Nc2cc(cc(c2)Cl)Cl
• Formula: C14 H11 Cl2 N3 O2
• Name: 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide
• PDB chain: 8ckq Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ckq Cytokinin oxidase/dehydrogenase inhibitors: progress toward a practice
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D170 I185 V370 W389 N391 L448 L452 Y487
• Binding residue (residue number reindexed from 1): D124 I139 V299 W318 N320 L375 L379 Y414
• Annotation score: 1

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

External links

• PDB: RCSB:8ckq, PDBe:8ckq, PDBj:8ckq
• PDBsum: 8ckq
• PubMed: 38776394
• UniProt: E3T1W8