MolNFT v1 · #66885 · protein

Crystal structure of beta toxin from staphylococcus aureus F277A, P278A mutant

3I41 · Beta-hemolysin: “Crystal structure of beta toxin from staphylococcus aureus F277A, P278A mutant”. X-ray diffraction, 6 pockets (best druggability 0.67). MolNFT v1 #66885 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3I41
Type: protein
Length: 580 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-hemolysin
UniProt: A7LAI8
Pockets: 6 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-hemolysin	protein	290	20% helix, 32% strand	A7LAI8

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	390	0.67	0.80	31	empty
2	243	0.65	0.83	33	empty
3	394	0.64	0.78	31	empty
4	115	0.40	0.75	26	empty
5	72	0.33	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 605 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3I41 · Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A 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 A7LAI8
Elsewhere: RCSB PDB 3I41 · PDBe 3I41 · UniProt A7LAI8

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.