Structure of PDB 4psb Chain A Binding Site BS01

Receptor Information
>4psb Chain A (length=152) Species: 157791 (Vigna radiata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKEFNTQTELSVRLEALWAVLSKDFITVVPKVLPHIVKDVQLIEGDGGV
GTILIFNFLPEVSPSYQREEITEFDESSHEIGLQVIEGGYLSQGLSYYKT
TFKLSEIEEDKTLVNVKISYDHDSDIEEKVTPTKTSQSTLMYLRRLERYL
SN
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 chain4psb 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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PDB4psb Specific binding of gibberellic acid by Cytokinin-Specific Binding Proteins: a new aspect of plant hormone-binding proteins with the PR-10 fold.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		V30 F56 Q67 E69 L83 T139 Y142
Binding residue
(residue number reindexed from 1)		V30 F56 Q67 E69 L83 T139 Y142
Annotation score4
Binding affinityMOAD: Kd=23uM
PDBbind-CN: -logKd/Ki=4.64,Kd=23uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004864 protein phosphatase inhibitor activity
GO:0010331 gibberellin binding
GO:0010427 abscisic acid binding
GO:0038023 signaling receptor activity
GO:0044373 cytokinin binding
Biological Process
GO:0006952 defense response
GO:0009738 abscisic acid-activated 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:4psb, PDBe:4psb, PDBj:4psb
PDBsum4psb
PubMed25004979
UniProtA0A1S3THR8|PHBP_VIGRR Phytohormone-binding protein CSBP (Gene Name=CSBP)

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