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MolNFT v1 · #177674 · protein

Crystal structure of monooxygenase TET(X4) with tigecycline

7EPW · Flavin-dependent monooxygenase: “Crystal structure of monooxygenase TET(X4) with tigecycline”. X-ray diffraction, 2 ligands (FDA, T1C), 1 pocket (best druggability 0.78). MolNFT v1 #177674 on GenesisL1: 3D structure, binding sites…

PDB
7EPW
Type
protein
Length
373 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flavin-dependent monooxygenase
EC
1.14.13.-
UniProt
A0A3T0V9Y5
Ligands
FDA, T1C
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlavin-dependent monooxygenase (EC 1.14.13.-)protein37333% helix, 25% strandA0A3T0V9Y5

Ligands and binding sites

  • FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A
  • T1C · Tigecycline · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111720.780.7990FDA, T1C

Compared structures

  • 7EPW · Crystal structure of monooxygenase Tet(X4) with tigecycline · the same entry in another collection · chain A against A, TM-score 1.00

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