MolNFT v1 · #51919 · protein

The structural dynamics and energetics of an immunodominant T-cell receptor are programmed by its vbeta domain

2VLM · JM22 TCR alpha chain: “The structural dynamics and energetics of an immunodominant T-cell receptor are programmed by its vbeta domain”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #51919 on GenesisL1: 3D…

PDB: 2VLM
Type: protein
Length: 424 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: JM22 TCR alpha chain; JM22 TCR beta chain
Pockets: 5 · best druggability 0.73

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D	JM22 TCR alpha chain	protein	184	4% helix, 45% strand	—
E	JM22 TCR beta chain	protein	240	6% helix, 50% strand	—

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	942	0.73	0.77	85	empty
2	167	0.48	0.77	22	empty
3	80	0.38	0.77	14	empty
4	80	0.32	0.74	20	empty
5	68	0.30	0.74	18	empty

Interfaces

1 interface between chains.

D–E · 1762 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2VLM · The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are… · 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 2VLM · PDBe 2VLM

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