Structure of PDB 4oal Chain B Binding Site BS02

Receptor Information
>4oal Chain B (length=444) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGRLSVDASDIAEASRDFGGVARAEPMAVFHPRAAGDVAGLVGAAFRSAR
GFRVSARGHGHSISGQAQAAGGVVVDMSARALPVHSAALGGHYVDVWGGE
LWVDVLNWTLSHGGLAPRSWTDYLYLSVGGTLSNAGISGQAFHHGPQISN
VYELDVVTGKGEVVTCSETENPDLFFGVLGGLGQFGIITRARIALERAPK
RVRWIRALYSNFSEFTADQERLISLGRRFDYVEGFVVAAVLYCLEVTKNY
DDETAGSVDQDVDTLLGELNFLPGTVFTTDLPYVDFLDRVHKAELKLRAK
GMWEVPHPWLNLFVPASRIADFDRGVFRGVLGGPVLIYPMNKHKWDPRSS
AVTPDEEVFYLVAFLRSALPGAPESLEALARQNQRILDFCAGTGIGAKQY
LPGHKARHEWAEHFGAARWDRFARLKAEFDPRAILAAGQGIFRP
Ligand information
Ligand ID245
InChIInChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
InChIKeyGPXLRLUVLMHHIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl
CACTVS 3.341Clc1cc(NC(=O)Nc2ccccc2)ccn1
ACDLabs 10.04Clc2nccc(NC(=O)Nc1ccccc1)c2
FormulaC12 H10 Cl N3 O
Name1-(2-chloropyridin-4-yl)-3-phenylurea
ChEMBLCHEMBL1229826
DrugBank
ZINCZINC000000402792
PDB chain4oal Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4oal Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D170 V370 W389 N391 L423 L452 Y487 L488
Binding residue
(residue number reindexed from 1)		D122 V290 W309 N311 L336 L365 Y400 L401
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H100 D170 E285
Catalytic site (residue number reindexed from 1) H61 D122 E233
Enzyme Commision number 1.5.99.12: cytokinin dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4oal, PDBe:4oal, PDBj:4oal
PDBsum4oal
PubMed26519657
UniProtE3T1W8

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