Structure of PDB 3t4o Chain B Binding Site BS01

Receptor Information

>3t4o 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

WA2

InChI

InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1

InChIKey

XXFACTAYGKKOQB-SSDOTTSWSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.2	CC(CCNc1c2c(nc[nH]2)ncn1)CO
OpenEye OEToolkits 1.7.2	C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO
CACTVS 3.370	C[CH](CO)CCNc1ncnc2nc[nH]c12
CACTVS 3.370	C[C@@H](CO)CCNc1ncnc2nc[nH]c12
ACDLabs 12.01	n1c(c2c(nc1)ncn2)NCCC(C)CO

Formula

C10 H15 N5 O

Name

(2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol

PDB chain

3t4o 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	3t4o Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	L251 M256 D262 F281 L284 V292 T294 G320
Binding residue (residue number reindexed from 1)	L125 M130 D136 F155 L158 V166 T168 G194
Annotation score	1

Enzymatic activity

Enzyme Commision number

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

External links

PDB	RCSB:3t4o, PDBe:3t4o, PDBj:3t4o
PDBsum	3t4o
PubMed	21964459
UniProt	Q9C5U0\|AHK4_ARATH Histidine kinase 4 (Gene Name=AHK4)

[Back to BioLiP]