MolNFT v1 · #78823 · protein

Crystal structure of the HLA-B8-A66-flr, mutant A66 of the HLA B8

3SKO · HLA class I histocompatibility antigen, B-8 alpha chain: “Crystal structure of the HLA-B8-A66-flr, mutant A66 of the HLA B8”. X-ray diffraction, 1 ligand (NA), 5 pockets (best druggability 0.66). MolNFT v1 #78823 on GenesisL1: 3D…

PDB: 3SKO
Type: protein
Length: 382 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…
UniProt: P30460, P61769, Q3KST2
Ligands: NA
Pockets: 5 · best druggability 0.66

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HLA class I histocompatibility antigen, B-8 alpha chain	protein	273	28% helix, 39% strand	P30460
B	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C	Epstein-barr nuclear antigen 3	protein	9	0% helix, 0% strand	Q3KST2

Ligands and binding sites

NA · Sodium ion · metal · chains A

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

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	578	0.66	0.76	58	empty
2	60	0.40	0.81	17	empty
3	77	0.38	0.78	19	empty
4	75	0.33	0.74	16	empty
5	58	0.31	0.75	15	empty

Interfaces

2 interfaces between chains.

A–B · 1375 Å² buried · 19 hydrogen bonds · protein-protein
A–C · 994 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3SKO · Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8 · 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
Every structure of UniProt Q3KST2
Elsewhere: RCSB PDB 3SKO · PDBe 3SKO · UniProt P30460 · UniProt P61769 · UniProt Q3KST2

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