MolNFT v1 · #85716 · protein

Structure of the heterodimeric complex exou-spcu from the type III secretion system (T3SS) of pseudomonas aeruginosa

4AKX: “Structure of the heterodimeric complex exou-spcu from the type III secretion system (T3SS) of pseudomonas…”. X-ray diffraction, 10 pockets (best druggability 0.78). MolNFT v1 #85716 on GenesisL1: 3D structure, binding sites and…

PDB: 4AKX
Type: protein
Length: 655 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Spcu; Exou
UniProt: Q02IF2, Q02IF1
Pockets: 10 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Spcu	protein	121	31% helix, 28% strand	Q02IF2
B	Exou	protein	534	50% helix, 13% strand	Q02IF1

Pockets

10 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	1064	0.78	0.80	103	empty
2	255	0.69	0.84	37	empty
3	204	0.64	0.84	35	empty
4	318	0.53	0.74	34	empty
5	134	0.44	0.77	21	empty

Interfaces

1 interface between chains.

A–B · 1473 Å² buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

4AKX · Structure of the heterodimeric complex ExoU-SpcU from the type III secretion system… · 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 Q02IF2
Every structure of UniProt Q02IF1
Elsewhere: RCSB PDB 4AKX · PDBe 4AKX · UniProt Q02IF2 · UniProt Q02IF1

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