Structure of PDB 3t4t Chain B Binding Site BS01

Receptor Information

>3t4t Chain B (length=263) 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
SLVENLLGQLAGNQAIVVHVYDITNASDPLVMYGNQDESLSHESKLDFGD
PFRKHKMICRYHQ

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 B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

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 L283 L284 V292 G320
Binding residue (residue number reindexed from 1)	A76 L125 M130 D136 L157 L158 V166 G194
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)

[Back to BioLiP]