MolNFT v1 · #23171 · protein

H135A mutant of toxic shock syndrome toxin-1 from S. aureus

1TS3: “H135A mutant of toxic shock syndrome toxin-1 from S. aureus”. X-ray diffraction, 7 pockets (best druggability 0.80). MolNFT v1 #23171 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1TS3
Type: protein
Length: 582 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toxic shock syndrome toxin-1
UniProt: P06886
Pockets: 7 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Toxic shock syndrome toxin-1	protein	194	16% helix, 44% strand	P06886

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1173	0.80	0.82	88	empty
2	300	0.65	0.81	33	empty
3	144	0.44	0.76	35	empty
4	72	0.39	0.78	15	empty
5	60	0.36	0.78	14	empty

Interfaces

2 interfaces between chains.

A–C · 1288 Å² buried · 27 hydrogen bonds · protein-protein
A–B · 249 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

1TS3 · H135A mutant of toxic shock syndrome toxin-1 from S. aureus · the same entry in another collection · chain A against A, TM-score 1.00
P06886 · AlphaFold monomer V2.0 prediction for toxic shock syndrome toxin-1 (P06886) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P06886
Elsewhere: RCSB PDB 1TS3 · PDBe 1TS3 · UniProt P06886

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