MolNFT v1 · #159624 · protein

Crystal structure of the unliganded clone 2 TCR

6OVN · Alpha chain clone 2 TCR: “Crystal structure of the unliganded clone 2 TCR”. X-ray diffraction, 2 ligands (NA, CL), 1 pocket (best druggability 0.70). MolNFT v1 #159624 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OVN
Type: protein
Length: 440 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha chain clone 2 TCR; Beta chain clone 2 TCR
Ligands: NA, CL
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha chain clone 2 TCR	protein	194	5% helix, 45% strand	—
B	Beta chain clone 2 TCR	protein	246	8% helix, 48% strand	—

Ligands and binding sites

NA · Sodium ion · metal · chains A
CL · Chloride ion · ion · 3 copies · chains B
GOL · Glycerol · additive · 3 copies · chains B, A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1093	0.70	0.74	97	empty

Interfaces

1 interface between chains.

A–B · 2186 Å² buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6OVN · Crystal structure of the unliganded Clone 2 TCR · 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 6OVN · PDBe 6OVN

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