MolNFT v1 · #19688 · protein

Crystal structure of human A6 TCR complexed with HLA-A2 bound to altered HTLV-1 tax peptide P6A

1QRN · HLA class I histocompatibility antigen, a-2 alpha chain: “Crystal structure of human A6 TCR complexed with HLA-A2 bound to altered HTLV-1 tax peptide P6A”. X-ray diffraction, 12 pockets (best druggability 0.70). MolNFT v1 #19688 on…

PDB: 1QRN
Type: protein
Length: 826 residues
Chains: 5
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; Tax…
UniProt: P01892, P61769, P01848
Pockets: 12 · best druggability 0.70

Structure

x-ray diffraction · 5 distinct chains · 12% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HLA class I histocompatibility antigen, a-2 alpha chain	protein	274	27% helix, 39% strand	P01892
B	Beta-2 microglobulin	protein	100	0% helix, 49% strand	P61769
C	Tax peptide P6A	protein	9	0% helix, 0% strand	—
D	T-cell receptor, alpha chain	protein	200	4% helix, 45% strand	P01848
E	T-cell receptor, beta chain	protein	243	8% helix, 49% strand	—

Pockets

12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	964	0.70	0.75	80	empty
2	674	0.69	0.77	59	empty
3	110	0.47	0.79	20	empty
4	81	0.44	0.80	22	empty
5	91	0.39	0.77	21	empty

Interfaces

7 interfaces between chains.

D–E · 2120 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 1377 Å² buried · 15 hydrogen bonds · protein-protein
A–C · 860 Å² buried · 12 hydrogen bonds · protein-protein
A–D · 619 Å² buried · 4 hydrogen bonds · protein-protein
A–E · 255 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

1QRN · Crystal structure of human A6 TCR complexed with HLA-A2 bound to altered HTLV-1 tax… · 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 0.99
P01848 · AlphaFold monomer V2.0 prediction for T cell receptor alpha chain constant (P01848) · a predicted model of the same protein · chain D against A, TM-score 0.42

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 P01848
Elsewhere: RCSB PDB 1QRN · PDBe 1QRN · UniProt P01892 · UniProt P61769 · UniProt P01848

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