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Crystal structure of TCR-017 ectodomain

Analyse Crystal structure of TCR-017 ectodomain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7EA6
Type: protein
Length: 865 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: T cell receptor 017 alpha chain; T cell receptor 017 beta chain
Pockets: 13 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D, A	T cell receptor 017 alpha chain	protein	194	5% helix, 47% strand	—
E	T cell receptor 017 beta chain	protein	238	8% helix, 49% strand	—
B	T cell receptor 017 beta chain	protein	239	7% helix, 50% strand	—

Pockets

13 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	1177	0.74	0.77	90	empty
2	980	0.73	0.77	85	empty
3	676	0.68	0.76	61	empty
4	75	0.49	0.84	20	empty
5	76	0.45	0.81	18	empty

Interfaces

3 interfaces between chains.

A–B · 2259 Å² buried · 29 hydrogen bonds · protein-protein
D–E · 2256 Å² buried · 28 hydrogen bonds · protein-protein
E–B · 1031 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

7EA6 · Crystal structure of TCR-017 ectodomain · the same entry in another collection · chain D against D, 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 7EA6 · PDBe 7EA6

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