MolNFT v1 · #76392 · protein

Crystal structure of the 2B4 TCR

3QJF · 2B4 alpha chain: “Crystal structure of the 2B4 TCR”. X-ray diffraction, 14 pockets (best druggability 0.76). MolNFT v1 #76392 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QJF
Type: protein
Length: 867 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2B4 alpha chain; 2B4 beta chain
Pockets: 14 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2B4 alpha chain	protein	195	3% helix, 50% strand	—
B	2B4 beta chain	protein	240	8% helix, 50% strand	—
C	2B4 alpha chain	protein	193	5% helix, 51% strand	—
D	2B4 beta chain	protein	239	8% helix, 51% strand	—

Pockets

14 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	821	0.76	0.80	81	empty
2	524	0.70	0.80	55	empty
3	137	0.51	0.80	28	empty
4	108	0.45	0.79	21	empty
5	174	0.44	0.74	34	empty

Interfaces

5 interfaces between chains.

C–D · 2236 Å² buried · 33 hydrogen bonds · protein-protein
A–B · 2191 Å² buried · 30 hydrogen bonds · protein-protein
A–C · 793 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 221 Å² buried · 1 hydrogen bond · protein-protein
A–D · 160 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

3QJF · Crystal structure of the 2B4 TCR · 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
Elsewhere: RCSB PDB 3QJF · PDBe 3QJF

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