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A2-MHC complex carrying fltgigiitv

Analyse A2-MHC complex carrying fltgigiitv in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4GKS
Type: protein
Length: 772 residues
Chains: 6
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; Flt…
UniProt: P01892, P61769
Ligands: SO4
Pockets: 7 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	HLA class I histocompatibility antigen, a-2 alpha chain	protein	276	26% helix, 39% strand	P01892
B, E	Beta-2-microglobulin	protein	100	0% helix, 49% strand	P61769
C, F	Flt cognate peptide	protein	10	0% helix, 0% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A, B
EDO · 1,2-ethanediol · additive · 13 copies · chains A, C, B, D, E
GOL · Glycerol · additive · 2 copies · chains A, D

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	631	0.69	0.78	60	SO4, EDO
2	603	0.68	0.77	60	EDO
3	389	0.53	0.72	44	empty
4	117	0.45	0.78	27	empty
5	86	0.43	0.80	18	EDO

Interfaces

7 interfaces between chains.

A–B · 1457 Å² buried · 27 hydrogen bonds · protein-protein
D–E · 1413 Å² buried · 24 hydrogen bonds · protein-protein
D–F · 918 Å² buried · 15 hydrogen bonds · protein-protein
A–C · 916 Å² buried · 14 hydrogen bonds · protein-protein
A–D · 93 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

4GKS · A2-MHC Complex carrying FLTGIGIITV · the same entry in another collection · chain F against F, TM-score 1.00
P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain E 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 4GKS · PDBe 4GKS · UniProt P01892 · UniProt P61769

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