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Pseudomonas aeruginosa exotoxin a, wild type

Analyse Pseudomonas aeruginosa exotoxin a, wild type in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1IKQ
Type: protein
Length: 599 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Exotoxin a
EC: 2.4.2.-
UniProt: P11439
Ligands: NA, CL
Pockets: 7 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Exotoxin a (EC 2.4.2.-)	protein	599	31% helix, 26% strand	P11439

Ligands and binding sites

NA · Sodium ion · metal · 2 copies · chains A
CL · Chloride ion · ion · 2 copies · chains A

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

Pockets

7 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	573	0.75	0.82	57	empty
2	410	0.67	0.80	41	empty
3	362	0.65	0.80	44	empty
4	93	0.59	0.87	27	empty
5	133	0.47	0.78	34	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1IKQ · Pseudomonas Aeruginosa Exotoxin A, wild type · the same entry in another collection · chain A against A, TM-score 1.00
P11439 · AlphaFold monomer V2.0 prediction for exotoxin a (P11439) · 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 P11439
Elsewhere: RCSB PDB 1IKQ · PDBe 1IKQ · UniProt P11439

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