MolNFT v1 · #76394 · protein

The crystal structure of the 5C.C7 TCR

3QJH · 5C.C7 alpha chain: “The crystal structure of the 5C.C7 TCR”. X-ray diffraction, 17 pockets (best druggability 0.69). MolNFT v1 #76394 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QJH
Type: protein
Length: 875 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5C.C7 alpha chain; 5C.C7 beta chain
Pockets: 17 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	5C.C7 alpha chain	protein	195	5% helix, 52% strand	—
B	5C.C7 beta chain	protein	243	9% helix, 49% strand	—
D	5C.C7 beta chain	protein	242	10% helix, 50% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	444	0.69	0.80	58	empty
2	431	0.67	0.80	66	empty
3	182	0.59	0.81	25	empty
4	152	0.54	0.81	27	empty
5	101	0.53	0.83	32	empty

Interfaces

5 interfaces between chains.

A–B · 2108 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 2097 Å² buried · 28 hydrogen bonds · protein-protein
A–C · 761 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 215 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 208 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

3QJH · The crystal structure of the 5c.c7 TCR · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 3QJH · PDBe 3QJH

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