Research workbench

1E6-A*0201-alwgpdpaaa complex, monoclinic

Analyse 1E6-A*0201-alwgpdpaaa complex, monoclinic in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UTS
Type: protein
Length: 1,665 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HLA class I histocompatibility antigen, a-2 alpha chain; Beta-2-microglobulin; Insulin…
UniProt: P01892, P61769, P01308
Ligands: SO4
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 6 distinct chains · 10% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, F	HLA class I histocompatibility antigen, a-2 alpha chain	protein	276	26% helix, 39% strand	P01892
B, G	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C, H	Insulin	protein	10	0% helix, 0% strand	P01308
D	1E6 TCR alpha chain	protein	200	3% helix, 46% strand	—
E, J	1E6 TCR beta chain	protein	246	9% helix, 51% strand	—
I	1E6 TCR alpha chain	protein	201	3% helix, 45% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, D, F
GOL · Glycerol · additive · chains F, J

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1004	0.76	0.78	86	empty
2	1135	0.73	0.76	100	empty
3	572	0.69	0.78	49	empty
4	515	0.68	0.79	57	empty
5	306	0.64	0.81	42	empty

Interfaces

16 interfaces between chains.

D–E · 2400 Å² buried · 28 hydrogen bonds · protein-protein
I–J · 2339 Å² buried · 29 hydrogen bonds · protein-protein
A–B · 1404 Å² buried · 17 hydrogen bonds · protein-protein
F–G · 1395 Å² buried · 17 hydrogen bonds · protein-protein
F–H · 747 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

3UTS · 1E6-A*0201-ALWGPDPAAA Complex, Monoclinic · the same entry in another collection · chain J against J, TM-score 1.00
P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain G against A, TM-score 0.97

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 P01892
Every structure of UniProt P61769
Every structure of UniProt P01308
Elsewhere: RCSB PDB 3UTS · PDBe 3UTS · UniProt P01892 · UniProt P61769 · UniProt P01308

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