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TETR(D) in complex with anhydrotetracycline and potassium

Analyse TETR(D) in complex with anhydrotetracycline and potassium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4D7N
Type
protein
Length
195 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tetracycline repressor, class D
UniProt
A0A017KEE3
Ligands
TDC, K, CL
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATetracycline repressor, class Dprotein19573% helix, 0% strandA0A017KEE3

Ligands and binding sites

  • TDC · 5A,6-anhydrotetracycline · ligand · chains A
  • K · Potassium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13080.640.8036TDC, K
2650.280.7317empty

Compared structures

  • 4D7N · TetR(D) in complex with anhydrotetracycline and potassium · the same entry in another collection · chain A against A, TM-score 1.00

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