MolNFT v1 · #112179 · protein

Crystal structure of JKA6 TCR

4ZDH · Alpha chain of A6 T-cell RECEPTOR,T-cell receptor alpha…: “Crystal structure of JKA6 TCR”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #112179 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ZDH
Type: protein
Length: 442 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha chain of A6 T-cell RECEPTOR,T-cell receptor alpha chain C region; Beta chain of…
UniProt: P01848, A0A087WZV8
Pockets: 6 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha chain of A6 T-cell RECEPTOR,T-cell receptor alpha chain C region	protein	201	4% helix, 46% strand	P01848
B	Beta chain of JKF6 T-cell RECEPTOR,PROTEIN TRBV28	protein	241	7% helix, 51% strand	A0A087WZV8

Pockets

6 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	955	0.75	0.78	78	empty
2	119	0.44	0.77	20	empty
3	69	0.34	0.77	18	empty
4	58	0.34	0.77	17	empty
5	65	0.30	0.74	13	empty

Interfaces

1 interface between chains.

A–B · 2248 Å² buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

4ZDH · Crystal structure of JKA6 TCR · the same entry in another collection · chain A against A, TM-score 1.00
P01848 · AlphaFold monomer V2.0 prediction for T cell receptor alpha chain constant (P01848) · a predicted model of the same protein · chain A against A, TM-score 0.44

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P01848
Every structure of UniProt A0A087WZV8
Elsewhere: RCSB PDB 4ZDH · PDBe 4ZDH · UniProt P01848 · UniProt A0A087WZV8

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