MolNFT v1 · #22187 · protein

Staphylococcal enterotoxin type a (sea) co-crystallised with zinc

1SXT: “Staphylococcal enterotoxin type a (sea) co-crystallised with zinc”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.66). MolNFT v1 #22187 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1SXT
Type: protein
Length: 444 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Staphylococcal enterotoxin type a
UniProt: P0A0L2
Ligands: ZN
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Staphylococcal enterotoxin type a	protein	224	21% helix, 36% strand	P0A0L2
B	Staphylococcal enterotoxin type a	protein	220	22% helix, 34% strand	P0A0L2

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

4 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	576	0.66	0.77	66	empty
2	54	0.37	0.80	13	empty
3	65	0.29	0.73	12	empty
4	57	0.26	0.73	13	empty

Interfaces

1 interface between chains.

A–B · 364 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1SXT · Staphylococcal enterotoxin type a (sea) co-crystallised with zinc · the same entry in another collection · chain A against A, TM-score 1.00
P0A0L2 · AlphaFold monomer V2.0 prediction for enterotoxin type a (P0A0L2) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P0A0L2
Elsewhere: RCSB PDB 1SXT · PDBe 1SXT · UniProt P0A0L2

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