MolNFT v1 · #145483 · protein

Crystal structure of the F24 TCR

6CPH · TCR alpha chain: “Crystal structure of the F24 TCR”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.72). MolNFT v1 #145483 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CPH
Type: protein
Length: 444 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TCR alpha chain; TCR beta chain
Ligands: SO4
Pockets: 5 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D	TCR alpha chain	protein	200	4% helix, 46% strand	—
E	TCR beta chain	protein	244	6% helix, 49% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains D, E
ACT · Acetate ion · additive · 2 copies · chains D, E

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	943	0.72	0.76	70	ACT
2	109	0.37	0.74	23	empty
3	61	0.32	0.76	14	empty
4	63	0.30	0.74	13	empty
5	51	0.30	0.75	12	SO4

Interfaces

1 interface between chains.

D–E · 2318 Å² buried · 30 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6CPH · Crystal structure of the F24 TCR · the same entry in another collection · chain D against D, 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 6CPH · PDBe 6CPH

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