Structure of PDB 7ekd Chain A Binding Site BS02

Receptor Information
>7ekd Chain A (length=343) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CFDFRAARRVPETHAWPGLDDHPVVDGGGGGGEDAVPVVDVGAGDAAARV
ARAAEQWGAFLLVGHGVPAALLSRVEERVARVFSLPASEKMRAVRGPGEP
CGYGSPPISSFFSKLMWSEGYTFSPSSLRSELRRLWPKSGDDYLLFCDVM
EEFHKEMRRLADELLRLFLRALGLTGEEVAGVEAERRIGERMTATVHLNW
YPRCPEPRRALGLIAHTDSGFFTFVLQSLVPGLQLFRRGPDRWVAVPAVA
GAFVVNVGDLFHILTNGRFHSVYHRAVVNRDRDRVSLGYFLGPPPDAEVA
PLPEAVPAGRSPAYRAVTWPEYMAVRKKAFATGGSALKMVSTD
Ligand information
Ligand IDJ5X
InChIInChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
InChIKeyMHVYWTXXZIFXDT-YGNOGLJPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C]12CCC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O
OpenEye OEToolkits 2.0.7C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O
CACTVS 3.385C[C@]12CCC[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O
OpenEye OEToolkits 2.0.7CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O
FormulaC19 H24 O4
NameGibberellin A9
ChEMBL
DrugBank
ZINC
PDB chain7ekd Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ekd Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Resolution1.899 Å
Binding residue
(original residue number in PDB)		P117 P118 I119 T206 D229 S230
Binding residue
(residue number reindexed from 1)		P106 P107 I108 T195 D218 S219
Annotation score3
Enzymatic activity
Enzyme Commision number 1.14.11.15: gibberellin 3beta-dioxygenase.
Gene Ontology
Molecular Function
GO:0016707 gibberellin 3-beta-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009416 response to light stimulus
GO:0009685 gibberellin metabolic process
GO:0009686 gibberellin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ekd, PDBe:7ekd, PDBj:7ekd
PDBsum7ekd
PubMed35046494
UniProtQ9FU53|G3OX2_ORYSJ Gibberellin 3-beta-dioxygenase 2 (Gene Name=GA3OX2)

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