MolNFT v1 · #52150 · protein

Structure and mode of action of a mosquitocidal holotoxin

2VSE · Mosquitocidal toxin: “Structure and mode of action of a mosquitocidal holotoxin”. X-ray diffraction, 17 pockets (best druggability 0.83). MolNFT v1 #52150 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2VSE
Type: protein
Length: 1,645 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mosquitocidal toxin
UniProt: Q03988
Pockets: 17 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mosquitocidal toxin	protein	823	12% helix, 39% strand	Q03988
B	Mosquitocidal toxin	protein	822	12% helix, 39% strand	Q03988

Ligands and binding sites

MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Pockets

17 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	1093	0.83	0.84	109	GOL
2	1061	0.83	0.84	109	empty
3	223	0.79	0.93	36	empty
4	211	0.79	0.93	31	empty
5	207	0.49	0.76	25	empty

Interfaces

1 interface between chains.

A–B · 133 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2VSE · Structure and mode of action of a mosquitocidal holotoxin · 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 Q03988
Elsewhere: RCSB PDB 2VSE · PDBe 2VSE · UniProt Q03988

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