Structure of PDB 3t4o Chain A Binding Site BS01

Receptor Information

>3t4o 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

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 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	3t4o Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	L251 D262 F281 L284 V292 T294
Binding residue (residue number reindexed from 1)	L126 D137 F156 L159 V167 T169
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)

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