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Ligand · NEA

NEA · 5'-deoxy-5'-[2-(amino)ethylthio]adenosine

NEA, 5'-deoxy-5'-[2-(amino)ethylthio]adenosine (C12 H18 N6 O3 S, 326.4 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
NEA
Formula
C12 H18 N6 O3 S
Class
ligand
Structures
16
PDB entries
8

Binding sites

NEA in 16 structures; the first of them:

  • 1G38 · Adenine-specific methyltransferase M. taq I/DNA complex · NEA A500 · binds DA606, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 9 more
  • 2IBS · Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the… · NEA A1001 · binds 2PR6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 9 more
  • 2IBT · Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the… · NEA A2001 · binds 2PR6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 10 more
  • 2IH2 · Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the… · NEA A2001 · binds DA6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 10 more
  • 2IH4 · Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the… · NEA A1001 · binds DA6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 10 more
  • 2IH5 · Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the… · NEA A1001 · binds DA6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 9 more
  • 2NP6 · Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the… · NEA A601 · binds ARG20, VAL21, PRO46, ALA47, ALA49, VAL70, GLU71, ILE72 and 11 more
  • 2NP7 · Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the… · NEA A601 · binds VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73, ALA76 and 8 more
  • 1G38 · Adenine-specific methyltransferase M. taq I/DNA complex · NEA A500 · binds DA606, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 9 more
  • 2IBS · Crystal structure of the adenine-specific DNA methyltransferase M.TAQI complexed with the… · NEA A1001 · binds 2PR6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 9 more
  • 2IBT · Crystal structure of the adenine-specific DNA methyltransferase M.TAQI complexed with the… · NEA A2001 · binds 2PR6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 10 more
  • 2IH2 · Crystal structure of the adenine-specific DNA methyltransferase M.TAQI complexed with the… · NEA A2001 · binds DA6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 10 more
  • 2IH4 · Crystal structure of the adenine-specific DNA methyltransferase M.TAQI complexed with the… · NEA A1001 · binds DA6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 10 more
  • 2IH5 · Crystal structure of the adenine-specific DNA methyltransferase M.TAQI complexed with the… · NEA A1001 · binds DA6, VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73 and 9 more
  • 2NP6 · Crystal structure of the adenine-specific DNA methyltransferase M.TAQI complexed with the… · NEA A601 · binds ARG20, VAL21, PRO46, ALA47, ALA49, VAL70, GLU71, ILE72 and 11 more
  • 2NP7 · Crystal structure of the adenine-specific DNA methyltransferase M.TAQI complexed with the… · NEA A601 · binds VAL21, ALA47, ALA49, VAL70, GLU71, ILE72, ASP73, ALA76 and 8 more

Residues it binds most

ALA 28, PRO 28, ASP 28, PHE 28, VAL 28, GLU 28, ASN 28, ILE 28, TYR 28, LEU 16 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • IPA · Isopropyl alcohol

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