Structure of PDB 4q0k Chain A Binding Site BS01

Receptor Information
>4q0k Chain A (length=154) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKEFNTQTTLNVGLEALWAAQSKDITLVVPKVLPNIVKDVQVIEGDGGV
GTKLIFNFLPGIAPVNYQREVITEYDELSHTIGLQVVEGGYLNQGLSYYK
TTFQFSAISENKTLVNVKISYDHESELIEEKVKPTKTSESTLFYLGQLEK
FLLN
Ligand information
Ligand IDGA3
InChIInChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
InChIKeyIXORZMNAPKEEDV-OBDJNFEBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O
OpenEye OEToolkits 1.5.0CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
OpenEye OEToolkits 1.5.0C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
CACTVS 3.341C[C]12[CH](O)C=C[C]3(OC1=O)[CH]4CC[C]5(O)C[C]4(CC5=C)[CH]([CH]23)C(O)=O
ACDLabs 10.04O=C(O)C5C21CC(O)(\C(=C)C1)CCC2C34OC(=O)C(C)(C(O)C=C3)C45
FormulaC19 H22 O6
NameGIBBERELLIN A3;
(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epo xymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
ChEMBLCHEMBL1232952
DrugBankDB07814
ZINCZINC000003860467
PDB chain4q0k 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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PDB4q0k Specific binding of gibberellic acid by Cytokinin-Specific Binding Proteins: a new aspect of plant hormone-binding proteins with the PR-10 fold.
Resolution1.34 Å
Binding residue
(original residue number in PDB)		L34 F56 Q68 F103 S140 T141
Binding residue
(residue number reindexed from 1)		L34 F56 Q68 F103 S140 T141
Annotation score4
Binding affinityMOAD: Kd=13.4uM
PDBbind-CN: -logKd/Ki=4.87,Kd=13.4uM
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:0009738 abscisic acid-activated signaling pathway
GO:0009740 gibberellic acid mediated signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4q0k, PDBe:4q0k, PDBj:4q0k
PDBsum4q0k
PubMed25004979
UniProtG7J032|PHBP_MEDTR Phytohormone-binding protein (Gene Name=MTR_3g055120)

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