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Crystal structure of translocator protein 18KDA (tspo) from rhodobacter sphaeroides (A139T mutant) in P212121 space group

Analyse Crystal structure of translocator protein 18KDA (tspo) from rhodobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4UC2
Type
protein
Length
311 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Translocator protein tspo
UniProt
Q9RFC8
Pockets
2 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranslocator protein tspoprotein15674% helix, 0% strandQ9RFC8
BTranslocator protein tspoprotein15575% helix, 0% strandQ9RFC8

Ligands and binding sites

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 6 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12170.720.8733empty
21750.660.8529OLC

Interfaces

1 interface between chains.

  • A–B · 1271 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 4UC2 · Crystal structure of translocator protein 18kDa (TSPO) from rhodobacter sphaeroides… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9RFC8 · AlphaFold monomer V2.0 prediction for tryptophan-rich sensory protein (Q9RFC8) · a predicted model of the same protein · chain A against A, TM-score 1.00

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