MolNFT v1 · #48851 · protein

Full-length cholix toxin from vibrio cholerae

2Q5T: “Full-length cholix toxin from vibrio cholerae”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.75). MolNFT v1 #48851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2Q5T
Type: protein
Length: 605 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cholix toxin
UniProt: Q5EK40
Ligands: CL
Pockets: 6 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cholix toxin	protein	605	32% helix, 28% strand	Q5EK40

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 9 copies · chains A

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

Pockets

6 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	611	0.75	0.81	59	CL, EDO
2	859	0.71	0.76	86	EDO
3	154	0.60	0.83	31	empty
4	323	0.59	0.77	35	EDO
5	90	0.40	0.77	16	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2Q5T · Full-length Cholix toxin from Vibrio Cholerae · the same entry in another collection · chain A against A, TM-score 1.00
Q5EK40 · AlphaFold monomer V2.0 prediction for cholix toxin (Q5EK40) · a predicted model of the same protein · 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 Q5EK40
Elsewhere: RCSB PDB 2Q5T · PDBe 2Q5T · UniProt Q5EK40

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