MolNFT v1 · #127770 · protein

Nera from agrobacterium radiobacter in complex with 2-phenylacrylic acid

5N6G · Gtn reductase: “Nera from agrobacterium radiobacter in complex with 2-phenylacrylic acid”. X-ray diffraction, 2 ligands (FMN, 8OZ), 2 pockets (best druggability 0.67). MolNFT v1 #127770 on GenesisL1: 3D structure, binding sites and…

PDB: 5N6G
Type: protein
Length: 369 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gtn reductase
UniProt: O31246
Ligands: FMN, 8OZ
Pockets: 2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gtn reductase	protein	369	35% helix, 17% strand	O31246

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · chains A
8OZ · 2-Phenylacrylic acid · ligand · chains A
ACT · Acetate ion · additive · 4 copies · chains A
GOL · Glycerol · additive · 3 copies · 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	401	0.67	0.80	45	FMN, 8OZ, ACT
2	62	0.33	0.76	16	empty

Compared structures

5N6G · NerA from Agrobacterium radiobacter in complex with 2-phenylacrylic acid · the same entry in another collection · chain A against A, TM-score 1.00

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 O31246
Elsewhere: RCSB PDB 5N6G · PDBe 5N6G · UniProt O31246

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