MolNFT v1 · #109562 · protein

BK6 TCR apo structure

4X6B · TCR alpha: “BK6 TCR apo structure”. X-ray diffraction, 6 pockets (best druggability 0.78). MolNFT v1 #109562 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4X6B
Type: protein
Length: 866 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TCR alpha; TCR beta
Pockets: 6 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	TCR alpha	protein	196	5% helix, 50% strand	—
B	TCR beta	protein	244	7% helix, 52% strand	—
C	TCR alpha	protein	186	4% helix, 47% strand	—
D	TCR beta	protein	240	8% helix, 53% strand	—

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	917	0.78	0.81	105	empty
2	915	0.71	0.76	89	empty
3	309	0.53	0.74	43	empty
4	68	0.33	0.76	20	empty
5	62	0.31	0.75	10	empty

Interfaces

4 interfaces between chains.

A–B · 2226 Å² buried · 29 hydrogen bonds · protein-protein
C–D · 2133 Å² buried · 36 hydrogen bonds · protein-protein
B–D · 433 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 19 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

4X6B · BK6 TCR apo structure · 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 4X6B · PDBe 4X6B

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