MolNFT v1 · #180955 · protein

Human leukocyte antigen B*07:02 in complex with SARS-COV2 epitope sprwyfyyl

7LG0 · HLA class I histocompatibility antigen, B-7 alpha chain: “Human leukocyte antigen B*07:02 in complex with SARS-COV2 epitope sprwyfyyl”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #180955 on GenesisL1: 3D…

PDB: 7LG0
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-7 alpha chain; Beta-2-microglobulin…
UniProt: P01889, P61769, P59595
Pockets: 4 · best druggability 0.69

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-7 alpha chain	protein	275	28% helix, 40% strand	P01889
B	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C	Nucleoprotein	protein	9	0% helix, 0% strand	P59595

Ligands and binding sites

P6G · Hexaethylene glycol · additive · chains A, C

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

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	623	0.69	0.78	62	empty
2	106	0.41	0.77	19	empty
3	50	0.37	0.81	18	empty
4	60	0.30	0.75	14	empty

Interfaces

2 interfaces between chains.

A–B · 1417 Å² buried · 24 hydrogen bonds · protein-protein
A–C · 961 Å² buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

7LG0 · Human leukocyte antigen B*07:02 in complex with SARS-CoV2 epitope SPRWYFYYL · the same entry in another collection · chain A against A, TM-score 1.00
P01889 · AlphaFold monomer V2.0 prediction for HLA class I histocompatibility antigen, B alpha… · a predicted model of the same protein · chain A against A, TM-score 0.98
P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 P01889
Every structure of UniProt P61769
Every structure of UniProt P59595
Elsewhere: RCSB PDB 7LG0 · PDBe 7LG0 · UniProt P01889 · UniProt P61769 · UniProt P59595

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