MolNFT v1 · #100258 · protein

42F3 TCR PCPB9/H-2LD complex

4MS8 · 42F3 alpha: “42F3 TCR PCPB9/H-2LD complex”. X-ray diffraction, 7 pockets (best druggability 0.75). MolNFT v1 #100258 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4MS8
Type: protein
Length: 606 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 42F3 alpha; 42F3 beta; H-2 class I histocompatibility antigen, L-D alpha chain; PCPB9
UniProt: P01897
Pockets: 7 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 16% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C	42F3 alpha	protein	196	6% helix, 44% strand	—
D	42F3 beta	protein	239	7% helix, 53% strand	—
A	H-2 class I histocompatibility antigen, L-D alpha chain	protein	162	40% helix, 35% strand	P01897
B	PCPB9	protein	9	0% helix, 0% strand	—

Pockets

7 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	1008	0.75	0.78	78	empty
2	157	0.62	0.84	24	empty
3	75	0.39	0.78	22	empty
4	67	0.33	0.76	17	empty
5	65	0.29	0.74	18	empty

Interfaces

6 interfaces between chains.

C–D · 2146 Å² buried · 27 hydrogen bonds · protein-protein
A–B · 839 Å² buried · 13 hydrogen bonds · protein-protein
C–A · 394 Å² buried · 2 hydrogen bonds · protein-protein
D–A · 355 Å² buried · 3 hydrogen bonds · protein-protein
D–B · 212 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

4MS8 · 42F3 TCR pCPB9/H-2Ld Complex · the same entry in another collection · chain C against C, TM-score 1.00
P01897 · AlphaFold monomer V2.0 prediction for H-2 class I histocompatibility antigen, L-D alpha… · a predicted model of the same protein · chain A 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 P01897
Elsewhere: RCSB PDB 4MS8 · PDBe 4MS8 · UniProt P01897

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.