Structure of PDB 3t4t Chain A Binding Site BS01

Receptor Information

>3t4t Chain A (length=268) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MDDANKIRREEVLVSMCDQRARMLQDQFSVSVNHVHALAILVSTFHYHKN
PSAIDQETFAEYTARTAFERPLLSGVAYAEKVVNFEREMFERQHNWVIKT
MDRGEPSPVRDEYAPVIFSQDSVSYLESLDMMSGEEDRENILRARETGKA
VLTSPFRLLETHHLGVVLTFPVYKSSLPENPTVEERIAATAGYLGGAFDV
ESLVENLLGQLAGNQAIVVHVYDITNASDPLVMYGNQDEEADRSLSHESK
LDFGDPFRKHKMICRYHQ

Ligand information

Ligand ID

WA1

InChI

InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)

InChIKey

HFCYZXMHUIHAQI-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc(cc1)NC(=O)Nc2cnns2
CACTVS 3.370	O=C(Nc1snnc1)Nc2ccccc2
ACDLabs 12.01	O=C(Nc1ccccc1)Nc2snnc2

Formula

C9 H8 N4 O S

Name

1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea;
THIDIAZURON

PDB chain

3t4t Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3t4t Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	A202 L251 M256 D262 L284 V292 G320
Binding residue (residue number reindexed from 1)	A77 L126 M131 D137 L159 V167 G195
Annotation score	1
Binding affinity	BindingDB: EC50=1000nM

Enzymatic activity

Enzyme Commision number

2.7.13.3: histidine kinase.
3.1.3.16: protein-serine/threonine phosphatase.

External links

PDB	RCSB:3t4t, PDBe:3t4t, PDBj:3t4t
PDBsum	3t4t
PubMed	21964459
UniProt	Q9C5U0\|AHK4_ARATH Histidine kinase 4 (Gene Name=AHK4)

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