MolNFT v1 · #77434 · protein

Crystal structure of human alloreactive TCR NB20

3REV · TCR NB20 alpha chain: “Crystal structure of human alloreactive TCR NB20”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #77434 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3REV
Type: protein
Length: 441 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TCR NB20 alpha chain; TCR NB20 beta chain
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	TCR NB20 alpha chain	protein	201	6% helix, 45% strand	—
B	TCR NB20 beta chain	protein	240	7% helix, 51% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · chains A, 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	1009	0.73	0.77	68	EDO
2	95	0.38	0.76	22	empty
3	88	0.37	0.76	24	empty
4	68	0.32	0.75	14	empty
5	67	0.29	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 2339 Å² buried · 39 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

3REV · Crystal structure of human alloreactive tcr nb20 · 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 3REV · PDBe 3REV

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