MolNFT v1 · #159904 · protein

Salmonella typhi pltb homopentamer T65I mutant

6P4S · Putative pertussis-like toxin subunit: “Salmonella typhi pltb homopentamer T65I mutant”. X-ray diffraction, 1 pocket (best druggability 0.70). MolNFT v1 #159904 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6P4S
Type: protein
Length: 571 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative pertussis-like toxin subunit
UniProt: Q8Z6A3
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D, E	Putative pertussis-like toxin subunit	protein	114	20% helix, 40% strand	Q8Z6A3
B	Putative pertussis-like toxin subunit	protein	115	20% helix, 43% strand	Q8Z6A3

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	832	0.70	0.76	32	empty

Interfaces

5 interfaces between chains.

D–E · 1074 Å² buried · 30 hydrogen bonds · protein-protein
A–C · 1057 Å² buried · 30 hydrogen bonds · protein-protein
C–D · 1049 Å² buried · 24 hydrogen bonds · protein-protein
B–E · 1038 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 1029 Å² buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

6P4S · Salmonella typhi PltB Homopentamer T65I Mutant · 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 Q8Z6A3
Elsewhere: RCSB PDB 6P4S · PDBe 6P4S · UniProt Q8Z6A3

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