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Crystal structure of tomato OPR1 in complex with phb

Analyse Crystal structure of tomato OPR1 in complex with phb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3HGR
Type
protein
Length
707 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
12-oxophytodienoate reductase 1
EC
1.3.1.42
UniProt
Q9XG54
Ligands
FMN, PHB
Pockets
2 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A12-oxophytodienoate reductase 1 (EC 1.3.1.42)protein35335% helix, 15% strandQ9XG54
B12-oxophytodienoate reductase 1 (EC 1.3.1.42)protein35436% helix, 15% strandQ9XG54

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
  • PHB · P-hydroxybenzoic acid · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15700.710.7955FMN, PHB
25530.690.7852FMN, PHB

Compared structures

  • 3HGR · Crystal structure of tomato OPR1 in complex with pHB · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9XG54 · AlphaFold monomer V2.0 prediction for 12-oxophytodienoate reductase 1 (Q9XG54) · a predicted model of the same protein · chain A against A, TM-score 1.00

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