MolNFT v1 · #54146 · protein

Cattle MHC class I N01301 presenting an 11MER from theileria parva

2XFX · MHC class 1: “Cattle MHC class I N01301 presenting an 11MER from theileria parva”. X-ray diffraction, 5 pockets (best druggability 0.68). MolNFT v1 #54146 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XFX
Type: protein
Length: 387 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MHC class 1; Beta-2-microglobulin; Uncharacterized protein
UniProt: Q30291, P01888, Q4MYJ2
Pockets: 5 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MHC class 1	protein	277	27% helix, 38% strand	Q30291
B	Beta-2-microglobulin	protein	99	0% helix, 49% strand	P01888
C	Uncharacterized protein	protein	11	0% helix, 0% strand	Q4MYJ2

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	545	0.68	0.78	53	empty
2	93	0.50	0.83	19	empty
3	64	0.49	0.85	16	empty
4	95	0.38	0.76	19	empty
5	57	0.27	0.73	16	empty

Interfaces

2 interfaces between chains.

A–B · 1340 Å² buried · 22 hydrogen bonds · protein-protein
A–C · 1061 Å² buried · 29 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

2XFX · cattle MHC class I N01301 presenting an 11mer from Theileria parva · the same entry in another collection · chain A against A, TM-score 1.00
P01888 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01888) · 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 Q30291
Every structure of UniProt P01888
Every structure of UniProt Q4MYJ2
Elsewhere: RCSB PDB 2XFX · PDBe 2XFX · UniProt Q30291 · UniProt P01888 · UniProt Q4MYJ2

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