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MolNFT v1 · #109049 · protein

Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")- ia, apo form

4WQK · 2''-aminoglycoside nucleotidyltransferase: “Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")- ia, apo form”. X-ray diffraction, 2 ligands (MG, CL), 1 pocket (best druggability 0.64). MolNFT v1 #109049 on…

PDB
4WQK
Type
protein
Length
175 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2''-aminoglycoside nucleotidyltransferase
EC
2.7.7.46
UniProt
P0AE05
Ligands
MG, CL
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2''-aminoglycoside nucleotidyltransferase (EC 2.7.7.46)protein17547% helix, 23% strandP0AE05

Ligands and binding sites

  • MG · Magnesium ion · metal · 3 copies · chains A
  • CL · Chloride ion · ion · chains A
  • IPA · Isopropyl alcohol · additive · 5 copies · chains A
  • GOL · Glycerol · additive · 4 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
13800.640.7838MG, IPA, GOL

Compared structures

  • 4WQK · Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2)-Ia · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AE05 · AlphaFold monomer V2.0 prediction for 2''-aminoglycoside nucleotidyltransferase (P0AE05) · a predicted model of the same protein · chain A against A, TM-score 0.99

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