MolNFT v1 · #61959 · protein

Crystal structure of NAD-binding protein from listeria innocua

3E18 · Oxidoreductase: “Crystal structure of NAD-binding protein from listeria innocua”. X-ray diffraction, 3 ligands (NAD, MG, CL), 15 pockets (best druggability 0.70). MolNFT v1 #61959 on GenesisL1: 3D structure, binding sites and…

PDB: 3E18
Type: protein
Length: 685 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxidoreductase
UniProt: Q929L3
Ligands: NAD, MG, CL
Pockets: 15 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxidoreductase	protein	348	35% helix, 25% strand	Q929L3
B	Oxidoreductase	protein	337	35% helix, 24% strand	Q929L3

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · chains A, B
GOL · Glycerol · additive · 10 copies · chains A, B

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

Pockets

15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	259	0.70	0.85	43	empty
2	362	0.68	0.81	37	NAD
3	350	0.65	0.80	56	GOL
4	179	0.51	0.77	35	NAD, GOL
5	184	0.48	0.76	30	GOL

Interfaces

1 interface between chains.

A–B · 2356 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

3E18 · CRYSTAL STRUCTURE OF NAD-BINDING PROTEIN FROM Listeria innocua · 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 Q929L3
Elsewhere: RCSB PDB 3E18 · PDBe 3E18 · UniProt Q929L3

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.