Structure of PDB 3t4j Chain B Binding Site BS01

Receptor Information
>3t4j Chain B (length=262) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DANKIRREEVLVSMCDQRARMLQDQFSVSVNHVHALAILVSTFHYHKNPS
AIDQETFAEYTARTAFERPLLSGVAYAEKVVNFEREMFERQHNWVIKTMD
RGEPSPVRDEYAPVIFSQDSVSYLESLDMMSGEEDRENILRARETGKAVL
TSPFRLLETHHLGVVLTFPVYKSSLPENPTVEERIAATAGYLGGAFDVES
LVENLLGQLAGNQAIVVHVYDITNASDPLVMYGNQDESLSHESKLDFGDP
FRKHKMICRYHQ
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 chain3t4j Chain B Residue 400 [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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PDB3t4j Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		A202 M226 L251 M256 D262 F281 L284 V292 G320
Binding residue
(residue number reindexed from 1)		A75 M99 L124 M129 D135 F154 L157 V165 G193
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
3.1.3.16: protein-serine/threonine phosphatase.
External links
PDB RCSB:3t4j, PDBe:3t4j, PDBj:3t4j
PDBsum3t4j
PubMed21964459
UniProtQ9C5U0|AHK4_ARATH Histidine kinase 4 (Gene Name=AHK4)

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