MolNFT v1 · #167610 · protein

HLA-B*27:05 presenting an HIV-1 14MER peptide

6VQ2 · MHC class I antigen: “HLA-B*27:05 presenting an HIV-1 14MER peptide”. X-ray diffraction, 6 pockets (best druggability 0.73). MolNFT v1 #167610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6VQ2
Type: protein
Length: 386 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MHC class I antigen; Beta-2-microglobulin; 14-mer peptide
UniProt: O78189, P61769
Pockets: 6 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MHC class I antigen	protein	276	28% helix, 39% strand	O78189
B	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C	14-mer peptide	protein	10	0% helix, 0% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

6 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	109	0.73	0.94	23	empty
2	633	0.70	0.78	56	GOL
3	124	0.49	0.80	20	empty
4	93	0.44	0.79	21	GOL
5	68	0.39	0.79	15	empty

Interfaces

2 interfaces between chains.

A–B · 1412 Å² buried · 21 hydrogen bonds · protein-protein
A–C · 994 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

6VQ2 · HLA-B*27:05 presenting an HIV-1 14mer peptide · 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 0.99

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 O78189
Every structure of UniProt P61769
Elsewhere: RCSB PDB 6VQ2 · PDBe 6VQ2 · UniProt O78189 · UniProt P61769

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