MolNFT v1 · #84041 · protein

Crystal structure of HLA-B*0801.N80I.R82L.G83R

3X14 · HLA class I histocompatibility antigen, B-8 alpha chain: “Crystal structure of HLA-B*0801.N80I.R82L.G83R”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #84041 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3X14
Type: protein
Length: 384 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HLA class I histocompatibility antigen, B-8 alpha chain; Beta-2-microglobulin; Peptide
UniProt: P30460, P61769
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HLA class I histocompatibility antigen, B-8 alpha chain	protein	276	29% helix, 39% strand	P30460
B	Beta-2-microglobulin	protein	99	0% helix, 52% strand	P61769
C	Peptide	protein	9	0% helix, 0% strand	—

Pockets

4 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	573	0.69	0.78	50	empty
2	130	0.48	0.79	17	empty
3	76	0.40	0.79	17	empty
4	78	0.38	0.77	16	empty

Interfaces

2 interfaces between chains.

A–B · 1309 Å² buried · 20 hydrogen bonds · protein-protein
A–C · 943 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3X14 · Crystal structure of HLA-B*0801.N80I.R82L.G83R · 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 P30460
Every structure of UniProt P61769
Elsewhere: RCSB PDB 3X14 · PDBe 3X14 · UniProt P30460 · UniProt P61769

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