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TETR(CLASS a) in complex with 5A,6-anhydrotetracycline and magnesium

Analyse TETR(CLASS a) in complex with 5A,6-anhydrotetracycline and magnesium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5MRU
Type
protein
Length
173 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tetracycline repressor, class a
Ligands
TDC, MG
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATetracycline repressor, class aprotein17372% helix, 0% strand—

Ligands and binding sites

  • TDC · 5A,6-anhydrotetracycline · ligand · chains A
  • MG · Magnesium ion · metal · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13280.660.8132TDC, MG

Compared structures

  • 5MRU · TetR(class A) in complex with 5a,6-anhydrotetracycline and magnesium · the same entry in another collection · chain A against A, TM-score 1.00

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