Research workbench

T-cell receptor beta chain complexed with SEC3 superantigen

Analyse T-cell receptor beta chain complexed with SEC3 superantigen in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1JCK
Type: protein
Length: 954 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14.3.D T cell antigen receptor; Staphylococcal enterotoxin C3
UniProt: P0A0L5
Pockets: 8 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	14.3.D T cell antigen receptor	protein	238	7% helix, 46% strand	—
B, D	Staphylococcal enterotoxin C3	protein	239	17% helix, 33% strand	P0A0L5

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	928	0.80	0.82	94	empty
2	765	0.79	0.83	80	empty
3	299	0.63	0.80	43	empty
4	159	0.59	0.83	29	empty
5	214	0.55	0.79	29	empty

Interfaces

5 interfaces between chains.

A–B · 656 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 656 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 623 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 480 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 480 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1JCK · T-cell receptor beta chain complexed with SEC3 superantigen · the same entry in another collection · chain A against A, TM-score 1.00
P0A0L5 · AlphaFold monomer V2.0 prediction for enterotoxin type C-3 (P0A0L5) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 P0A0L5
Elsewhere: RCSB PDB 1JCK · PDBe 1JCK · UniProt P0A0L5

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