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Crystal structure of ANT(2")-ia in complex with adenylyl-2"-tobramycin

Analyse Crystal structure of ANT(2")-ia in complex with adenylyl-2"-tobramycin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CFU
Type
protein
Length
174 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aminoglycoside nucleotidyltransferase (2")-ia
UniProt
Q6X3H6
Ligands
POP, 51H, MN
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAminoglycoside nucleotidyltransferase (2")-iaprotein17447% helix, 22% strandQ6X3H6

Ligands and binding sites

  • POP · Pyrophosphate 2- · ligand · 2 copies · chains A
  • 51H · adenylyl-2"-tobramycin · ligand · chains A
  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • BU1 · 1,4-butanediol · additive · 3 copies · 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
13190.630.8031MN, 51H, POP

Compared structures

  • 5CFU · Crystal Structure of ANT(2)-Ia in complex with adenylyl-2"-tobramycin" · the same entry in another collection · chain A against A, TM-score 1.00

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