MolNFT v1 · #74473 · protein

Crystal structure of HLA A*02:07 bound to HBV core 18-27

3OXS · MHC class I antigen: “Crystal structure of HLA A*02:07 bound to HBV core 18-27”. X-ray diffraction, 5 pockets (best druggability 0.70). MolNFT v1 #74473 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3OXS
Type: protein
Length: 385 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MHC class I antigen; Beta-2-microglobulin; 10MER peptide from pre-core-protein
UniProt: Q861F6, P61769, Q9YJW5
Pockets: 5 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MHC class I antigen	protein	275	26% helix, 40% strand	Q861F6
B	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C	10MER peptide from pre-core-protein	protein	10	0% helix, 0% strand	Q9YJW5

Pockets

5 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	670	0.70	0.78	62	empty
2	98	0.45	0.79	23	empty
3	95	0.41	0.77	18	empty
4	84	0.34	0.75	16	empty
5	57	0.33	0.77	16	empty

Interfaces

2 interfaces between chains.

A–B · 1371 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 960 Å² buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3OXS · Crystal Structure of HLA A*02:07 Bound to HBV Core 18-27 · 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 Q861F6
Every structure of UniProt P61769
Every structure of UniProt Q9YJW5
Elsewhere: RCSB PDB 3OXS · PDBe 3OXS · UniProt Q861F6 · UniProt P61769 · UniProt Q9YJW5

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