MolNFT v1 · #82209 · protein

Crystal structure of HLA B*3508 LPEP155A, HLA mutant ALA155

3VFM · MHC class I antigen: “Crystal structure of HLA B*3508 LPEP155A, HLA mutant ALA155”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #82209 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3VFM
Type: protein
Length: 389 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MHC class I antigen; Beta-2-microglobulin; Lpep peptide from EBV, lpeplpqgqltay
UniProt: C5MK56, P61769
Pockets: 5 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MHC class I antigen	protein	276	26% helix, 39% strand	C5MK56
B	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C	Lpep peptide from EBV, lpeplpqgqltay	protein	13	0% helix, 0% strand	—

Pockets

5 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	655	0.69	0.77	54	empty
2	93	0.56	0.86	28	empty
3	80	0.41	0.79	20	empty
4	86	0.40	0.78	16	empty
5	111	0.39	0.76	21	empty

Interfaces

2 interfaces between chains.

A–B · 1421 Å² buried · 22 hydrogen bonds · protein-protein
A–C · 903 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3VFM · crystal structure of HLA B*3508 LPEP155A, HLA mutant Ala155 · the same entry in another collection · chain A against A, 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 C5MK56
Every structure of UniProt P61769
Elsewhere: RCSB PDB 3VFM · PDBe 3VFM · UniProt C5MK56 · UniProt P61769

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