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Solution structure of the mitochondrial translocator protein (tspo) in complex with its high-affinity ligand PK11195

Analyse Solution structure of the mitochondrial translocator protein (tspo) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2MGY
Type: protein
Length: 169 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Translocator protein
UniProt: Q99M32
Ligands: PKA
Pockets: 1 · best druggability 0.81

Structure

solution nmr · 1 distinct chain · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Translocator protein	protein	169	74% helix, 0% strand	Q99M32

Ligands and binding sites

PKA · N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide · ligand · chains 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	348	0.81	0.91	39	PKA

Compared structures

2MGY · Solution structure of the mitochondrial translocator protein (TSPO) in complex with its… · 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
Every structure of UniProt Q99M32
Elsewhere: RCSB PDB 2MGY · PDBe 2MGY · UniProt Q99M32

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