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Ligand · 1C4

1C4 · (2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)

1C4, (2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaic…

Component
1C4
Formula
C28 H45 N8 O21 P3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1C4 in 2 structures; the first of them:

  • 4I49 · Structure of ngNAGS bound with bisubstrate analog CoA-NAG · 1C4 A501 · binds LEU307, ILE312, LEU313, LEU314, ARG316, ILE354, ALA355, CYS356 and 24 more
  • 4I49 · Structure of ngnags bound with bisubstrate analog CoA-nag · 1C4 A501 · binds LEU307, ILE312, LEU313, LEU314, ARG316, ILE354, ALA355, CYS356 and 24 more

Residues it binds most

LEU 2, ARG 2, ALA 2, GLY 2, ASN 2, GLU 2, ILE 2, SER 2, THR 2, ASP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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