MolNFT v1 · #112883 · protein

Crystal structure of an exotoxin 6 (SAV0422) from staphylococcus aureus subsp. aureus MU50 at 2.25 a resolution

4ZYS: “Crystal structure of an exotoxin 6 (SAV0422) from staphylococcus aureus subsp. aureus MU50 at 2.25 a…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.64). MolNFT v1 #112883 on GenesisL1: 3D structure, binding…

PDB: 4ZYS
Type: protein
Length: 386 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Exotoxin 6
UniProt: K0L291
Ligands: CL
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Exotoxin 6	protein	195	17% helix, 43% strand	K0L291
B	Exotoxin 6	protein	191	19% helix, 43% strand	K0L291

Ligands and binding sites

CL · Chloride ion · ion · 5 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	194	0.64	0.84	22	empty
2	55	0.31	0.76	12	empty
3	51	0.28	0.75	12	empty

Interfaces

1 interface between chains.

A–B · 602 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

4ZYS · Crystal structure of an exotoxin 6 (SAV0422) from Staphylococcus aureus subsp. aureus… · 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 K0L291
Elsewhere: RCSB PDB 4ZYS · PDBe 4ZYS · UniProt K0L291

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