MolNFT v1 · #149760 · protein

Ternary complex of P14 TCR with murine MHC class I H-2 db in complex with self-antigen derived from dopamine monooxygenase.

6G9Q · H-2 class I histocompatibility antigen, D-B alpha chain: “Ternary complex of P14 TCR with murine MHC class I H-2 db in complex with self-antigen derived from dopamine…”. X-ray diffraction, 11 pockets (best druggability 0.73). MolNFT…

PDB: 6G9Q
Type: protein
Length: 808 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: H-2 class I histocompatibility antigen, D-B alpha chain; Beta-2-microglobulin; T cell…
EC: 1.14.17.1
UniProt: P01899, P01887, A0A0G2JF94, P01849, P04213, P01852, Q64237
Pockets: 11 · best druggability 0.73

Structure

x-ray diffraction · 5 distinct chains · 12% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	H-2 class I histocompatibility antigen, D-B alpha chain	protein	276	27% helix, 40% strand	P01899
B	Beta-2-microglobulin	protein	98	0% helix, 50% strand	P01887
G	T cell receptor alpha variable 14-1,T-cell receptor alpha chain C region	protein	188	4% helix, 49% strand	A0A0G2JF94, P01849
H	T-cell receptor beta chain V region C5,T-cell receptor beta-1 chain C region	protein	237	8% helix, 53% strand	P04213, P01852
P	Dopamine beta-hydroxylase (EC 1.14.17.1)	protein	9	0% helix, 0% strand	Q64237

Ligands and binding sites

GOL · Glycerol · additive · chains A, B

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

Pockets

11 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	1032	0.73	0.76	74	empty
2	582	0.65	0.76	46	GOL
3	236	0.54	0.77	43	empty
4	159	0.48	0.78	26	empty
5	130	0.48	0.78	27	empty

Interfaces

7 interfaces between chains.

G–H · 2190 Å² buried · 28 hydrogen bonds · protein-protein
A–B · 1207 Å² buried · 21 hydrogen bonds · protein-protein
A–P · 907 Å² buried · 26 hydrogen bonds · protein-protein
A–G · 413 Å² buried · 9 hydrogen bonds · protein-protein
A–H · 337 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

6G9Q · Ternary complex of P14 TCR with murine MHC class I H-2 Db in complex with self-antigen… · the same entry in another collection · chain P against P, TM-score 1.00
P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain B against A, TM-score 0.99
P01852 · AlphaFold monomer V2.0 prediction for T-cell receptor beta-1 chain C region (P01852) · a predicted model of the same protein · chain H against A, TM-score 0.52
P04213 · AlphaFold monomer V2.0 prediction for T-cell receptor beta chain V region C5 (P04213) · a predicted model of the same protein · chain H against A, TM-score 0.46
Q64237 · AlphaFold monomer V2.0 prediction for dopamine beta-hydroxylase (Q64237) · a predicted model of the same protein · chain P against A, TM-score 0.44
P01849 · AlphaFold monomer V2.0 prediction for T-cell receptor alpha chain C region (P01849) · a predicted model of the same protein · chain G against A, TM-score 0.41

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 P01899
Every structure of UniProt P01887
Every structure of UniProt A0A0G2JF94
Every structure of UniProt P01849
Every structure of UniProt P04213
Every structure of UniProt P01852
Every structure of UniProt Q64237
Elsewhere: RCSB PDB 6G9Q · PDBe 6G9Q · UniProt P01899 · UniProt P01887 · UniProt A0A0G2JF94 · UniProt P01849 · UniProt P04213 · UniProt P01852 · UniProt Q64237

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