MolNFT v1 · #178133 · protein

Crystal structure of TCR4-1 ectodomain

7F5K · T cell receptor alpha chain: “Crystal structure of TCR4-1 ectodomain”. X-ray diffraction, 14 pockets (best druggability 0.78). MolNFT v1 #178133 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7F5K
Type: protein
Length: 856 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: T cell receptor alpha chain; T cell receptor beta chain
Pockets: 14 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	T cell receptor alpha chain	protein	192	0% helix, 35% strand	—
B, D	T cell receptor beta chain	protein	236	8% helix, 51% strand	—

Pockets

14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1191	0.78	0.80	101	empty
2	850	0.74	0.79	76	empty
3	354	0.60	0.77	53	empty
4	78	0.60	0.89	21	empty
5	261	0.58	0.79	41	empty

Interfaces

5 interfaces between chains.

A–B · 2313 Å² buried · 26 hydrogen bonds · protein-protein
C–D · 2093 Å² buried · 26 hydrogen bonds · protein-protein
B–D · 817 Å² buried · 11 hydrogen bonds · protein-protein
A–D · 140 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 134 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

7F5K · Crystal structure of TCR4-1 ectodomain · 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 7F5K · PDBe 7F5K

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