Structure of PDB 4jhh Chain A Binding Site BS01

Receptor Information
>4jhh Chain A (length=163) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDPFTMGVITSESEYVSSLSAEKLYRGIVEDGNIIYPKALPRFIEKAETL
EGDGGPGTIKKLTFVGDFGSTKQHIDMVDRENCAYTYSVYEGIALSDQPL
EKIVFEFKLVPTPEEGCIVKSTTKYYTKGDDIELSKDYLEAGIERFEGFT
KAVESFLLANPDY
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 chain4jhh Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jhh The landscape of cytokinin binding by a plant nodulin.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T66 Y82 I98 F100 G137 R140 F144
Binding residue
(residue number reindexed from 1)		T71 Y87 I103 F105 G142 R145 F149
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004864 protein phosphatase inhibitor activity
GO:0010427 abscisic acid binding
GO:0038023 signaling receptor activity
Biological Process
GO:0006952 defense response
GO:0009736 cytokinin-activated signaling pathway
GO:0009738 abscisic acid-activated signaling pathway
GO:0009877 nodulation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4jhh, PDBe:4jhh, PDBj:4jhh
PDBsum4jhh
PubMed24311578
UniProtP93330|NOD13_MEDTR Nodulin-13 (Gene Name=N13)

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