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Crystal structure of spectinomycin phosphotransferase, APH(9)-ia, in complex with ADP and spectinomcyin

Analyse Crystal structure of spectinomycin phosphotransferase, APH(9)-ia, in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3I0O
Type
protein
Length
329 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spectinomycin phosphotransferase
UniProt
O06916
Ligands
ADP, SMI, NI, MG
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpectinomycin phosphotransferaseprotein32946% helix, 14% strandO06916

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • SMI · Spectinomycin · ligand · chains A
  • NI · Nickel (II) ion · metal · 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
17690.720.7875ADP, SMI, MG

Compared structures

  • 3I0O · Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, in complex with ADP and… · the same entry in another collection · chain A against A, TM-score 1.00

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