MolNFT v1 · #117996 · protein

Structure of HLA-A2:01 with peptide G13E

5EOT · HLA class I histocompatibility antigen, a-2 alpha chain: “Structure of HLA-A2:01 with peptide G13E”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #117996 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5EOT
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, a-2 alpha chain; Beta-2-microglobulin; Peptide…
UniProt: P01892, P61769
Pockets: 3 · best druggability 0.69

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HLA class I histocompatibility antigen, a-2 alpha chain	protein	273	27% helix, 41% strand	P01892
B	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C	Peptide G13E	protein	11	0% helix, 0% strand	—

Pockets

3 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	665	0.69	0.77	55	empty
2	69	0.40	0.79	14	empty
3	81	0.34	0.75	17	empty

Interfaces

2 interfaces between chains.

A–B · 1347 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 765 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

5EOT · Structure of HLA-A2:01 with peptide G13E · 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 P01892
Every structure of UniProt P61769
Elsewhere: RCSB PDB 5EOT · PDBe 5EOT · UniProt P01892 · UniProt P61769

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