MolNFT v1 · #13833 · protein

Xenoreactive complex ahiii 12.2 TCR bound to P1049/HLA-A2.1

1LP9 · HLA class I histocompatibility antigen, a-2 alpha chain: “Xenoreactive complex ahiii 12.2 TCR bound to P1049/HLA-A2.1”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #13833 on GenesisL1: 3D structure, binding…

PDB: 1LP9
Type: protein
Length: 1,630 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…
UniProt: P01892, P61769
Pockets: 20 · best druggability 0.75

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, H	HLA class I histocompatibility antigen, a-2 alpha chain	protein	275	28% helix, 40% strand	P01892
B, I	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C, J	Self-peptide P1049	protein	9	0% helix, 0% strand	—
E, L	T-cell receptor alpha chain	protein	194	5% helix, 43% strand	—
F, M	T-cell receptor beta chain	protein	237	6% helix, 51% strand	—

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1057	0.75	0.78	94	empty
2	759	0.73	0.79	59	empty
3	701	0.70	0.78	64	empty
4	607	0.69	0.78	55	empty
5	208	0.56	0.79	34	empty

Interfaces

18 interfaces between chains.

E–F · 2311 Å² buried · 34 hydrogen bonds · protein-protein
L–M · 2219 Å² buried · 32 hydrogen bonds · protein-protein
H–I · 1431 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 1420 Å² buried · 24 hydrogen bonds · protein-protein
H–J · 862 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

1LP9 · Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1 · the same entry in another collection · chain M against M, 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
Elsewhere: RCSB PDB 1LP9 · PDBe 1LP9 · UniProt P01892 · UniProt P61769

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.