Structure of PDB 3t4s Chain A Binding Site BS01

Receptor Information
>3t4s Chain A (length=267) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDANKIRREEVLVSMCDQRARMLQDQFSVSVNHVHALAILVSTFHYHKNP
SAIDQETFAEYTARTAFERPLLSGVAYAEKVVNFEREMFERQHNWVIKTM
DRGEPSPVRDEYAPVIFSQDSVSYLESLDMMSGEEDRENILRARETGKAV
LTSPFRLLETHHLGVVLTFPVYKSSLPENPTVEERIAATAGYLGGAFDVE
SLVENLLGQLAGNQAIVVHVYDITNASDPLVMYGNQDEEADRSLSHESKL
DFGDPFRKHKMICRYHQ
Ligand information
Ligand IDH35
InChIInChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKeyQANMHLXAZMSUEX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C(Nc1ncnc2nc[nH]c12)c3occc3
ACDLabs 10.04n2c(NCc1occc1)c3ncnc3nc2
OpenEye OEToolkits 1.5.0c1cc(oc1)CNc2c3c(nc[nH]3)ncn2
FormulaC10 H9 N5 O
NameN-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE
ChEMBLCHEMBL228792
DrugBankDB11336
ZINCZINC000000001601
PDB chain3t4s Chain A 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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PDB3t4s Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L251 M256 D262 F281 L284 V292 G320
Binding residue
(residue number reindexed from 1)		L125 M130 D136 F155 L158 V166 G194
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:3t4s, PDBe:3t4s, PDBj:3t4s
PDBsum3t4s
PubMed21964459
UniProtQ9C5U0|AHK4_ARATH Histidine kinase 4 (Gene Name=AHK4)

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