Research workbench

003 TCR study of cdr loop flexibility

Analyse 003 TCR study of cdr loop flexibility in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6FR3
Type: protein
Length: 446 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 003 TCR alpha chain; 003 TCR beta chain
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	003 TCR alpha chain	protein	202	5% helix, 46% strand	—
B	003 TCR beta chain	protein	244	7% helix, 50% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 39 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains B

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	1120	0.71	0.75	95	EDO
2	56	0.35	0.78	12	EDO
3	53	0.34	0.79	18	empty
4	80	0.34	0.75	18	EDO
5	72	0.32	0.74	14	EDO

Interfaces

1 interface between chains.

A–B · 2192 Å² buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6FR3 · 003 TCR Study of CDR Loop Flexibility · 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 6FR3 · PDBe 6FR3

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