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Ligand · SMI

SMI · Spectinomycin

SMI, Spectinomycin (C14 H26 N2 O8, 350.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
SMI
Formula
C14 H26 N2 O8
Class
ligand
Structures
3
PDB entries
2

Binding sites

SMI in 3 structures; the first of them:

  • 3I0O · Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, in complex with ADP and… · SMI A340 · binds PHE109, ASP212, HIS214, ASN217, ASP230, VAL250, GLY251, ARG284 and 5 more
  • 7UY4 · Aminoglycoside-modifying enzyme ANT-3,9 in complex with spectinomycin and AMP-PNP · SMI A302 · binds ASP43, ASP45, PRO73, ALA81, GLU83, GLN104, GLU107, TRP108 and 4 more
  • 3I0O · Crystal structure of spectinomycin phosphotransferase, APH(9)-ia, in complex with ADP and… · SMI A340 · binds PHE109, ASP212, HIS214, ASN217, ASP230, VAL250, GLY251, ARG284 and 5 more

Residues it binds most

ASP 4, GLU 4, ASN 4, TYR 2, VAL 2, ALA 2, ARG 2, GLN 2, GLY 2, HIS 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ADP · Adenosine-5'-diphosphate
  • NI · Nickel (II) ion
  • ANP · Phosphoaminophosphonic acid-adenylate ester

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