MolNFT v1 · #81535 · protein

Human HLA-A*0201-alwgpdpaaa

3UTQ · HLA class I histocompatibility antigen, a-2 alpha chain: “Human HLA-A*0201-alwgpdpaaa”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #81535 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UTQ
Type: protein
Length: 386 residues
Chains: 3
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
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HLA class I histocompatibility antigen, a-2 alpha chain	protein	276	26% helix, 40% strand	P01892
B	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C	Insulin	protein	10	0% helix, 0% strand	P01308

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	611	0.69	0.78	58	empty
2	80	0.45	0.81	23	empty
3	136	0.43	0.76	29	empty
4	68	0.36	0.77	15	empty

Interfaces

2 interfaces between chains.

A–B · 1425 Å² buried · 21 hydrogen bonds · protein-protein
A–C · 776 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3UTQ · Human HLA-A*0201-ALWGPDPAAA · the same entry in another collection · chain B against B, TM-score 1.00
P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 3UTQ · PDBe 3UTQ · UniProt P01892 · UniProt P61769 · UniProt P01308

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