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NMR study of apo TRP repressor

Analyse NMR study of apo TRP repressor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1WRT
Type
protein
Length
208 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apo TRP repressor
UniProt
P0A881
Pockets
6 · best druggability 0.82

Structure

solution nmr · 1 distinct chain · 51% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
R, SApo TRP repressorprotein10451% helix, 0% strandP0A881

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12500.820.9441empty
22690.600.7933empty
31720.510.7830empty
4710.440.8115empty
5840.340.7414empty

Interfaces

1 interface between chains.

  • R–S · 1945 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 1WRT · NMR study of apo TRP repressor · the same entry in another collection · chain R against R, TM-score 1.00
  • P0A881 · AlphaFold monomer V2.0 prediction for TRP operon repressor (P0A881) · a predicted model of the same protein · chain R against A, TM-score 0.56

Analyse

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