MolNFT v1 · #48780 · protein

Ensemble refinement of the protein crystal structure of AT1G76680 from arabidopsis thaliana

2Q3R · 12-oxophytodienoate reductase 1: “Ensemble refinement of the protein crystal structure of AT1G76680 from arabidopsis thaliana”. X-ray diffraction, 1 ligand (FMN), 2 pockets (best druggability 0.64). MolNFT v1 #48780 on GenesisL1: 3D…

PDB: 2Q3R
Type: protein
Length: 351 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 12-oxophytodienoate reductase 1
EC: 1.3.1.42
UniProt: Q8LAH7
Ligands: FMN
Pockets: 2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	12-oxophytodienoate reductase 1 (EC 1.3.1.42)	protein	351	34% helix, 15% strand	Q8LAH7

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	387	0.64	0.78	35	FMN
2	75	0.33	0.75	15	empty

Compared structures

2Q3R · Ensemble refinement of the protein crystal structure of At1g76680 from Arabidopsis… · the same entry in another collection · chain A against A, TM-score 1.00
Q8LAH7 · AlphaFold monomer V2.0 prediction for 12-oxophytodienoate reductase 1 (Q8LAH7) · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8LAH7
Elsewhere: RCSB PDB 2Q3R · PDBe 2Q3R · UniProt Q8LAH7

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