MolNFT v1 · #58251 · protein

Murine valpha 10 vbeta 8.1 T-cell receptor

3AXL: “Murine valpha 10 vbeta 8.1 T-cell receptor”. X-ray diffraction, 8 pockets (best druggability 0.75). MolNFT v1 #58251 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3AXL
Type: protein
Length: 849 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Valpha 10; Vbeta 8.1
Pockets: 8 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Valpha 10	protein	183	2% helix, 45% strand	—
B, H	Vbeta 8.1	protein	238	7% helix, 49% strand	—
G	Valpha 10	protein	190	2% helix, 46% strand	—

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	779	0.75	0.80	93	empty
2	680	0.74	0.80	86	empty
3	179	0.53	0.79	20	empty
4	96	0.47	0.81	19	empty
5	61	0.43	0.82	15	empty

Interfaces

5 interfaces between chains.

G–H · 2115 Å² buried · 30 hydrogen bonds · protein-protein
A–B · 2085 Å² buried · 28 hydrogen bonds · protein-protein
A–G · 785 Å² buried · 8 hydrogen bonds · protein-protein
B–G · 264 Å² buried · 2 hydrogen bonds · protein-protein
A–H · 264 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

3AXL · Murine Valpha 10 Vbeta 8.1 T-cell receptor · 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 3AXL · PDBe 3AXL

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