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Ligand · 9SR

9SR · (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5, 9,12,13,14-pentol (non-preferred name)

9SR, (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5, 9,12,13,14-pentol (non-preferred name) (C11 H17 N3 O8, 319.3 g/mol), in the MolNFT structures on…

Component
9SR
Formula
C11 H17 N3 O8
Class
ligand
Structures
5
PDB entries
4

Binding sites

9SR in 5 structures; the first of them:

  • 7W9M · Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits… · 9SR A2001 · binds ASP361, TYR362, GLU364, ARG922, GLU927, GLU930, PHE1405, LYS1406 and 6 more
  • 6A95 · Complex of voltage-gated sodium channel navpas from american cockroach periplaneta… · 9SR A1608 · binds ASP375, TYR376, GLU378, GLU701, GLU704, PHE1060, LYS1061, GLY1062 and 4 more
  • 6J8I · Structure of human voltage-gated sodium channel NAV1.7 in complex with auxiliary beta… · 9SR A2007 · binds ASP361, TYR362, GLU364, GLU927, GLU930, PHE1405, LYS1406, GLY1407 and 4 more
  • 6J8J · Structure of human voltage-gated sodium channel NAV1.7 in complex with auxiliary beta… · 9SR A2007 · binds ASP361, TYR362, GLU364, GLU927, GLU930, PHE1405, LYS1406, GLY1407 and 4 more
  • 7W9M · Cryo-EM structure of human NAV1.7(E406K) in complex with auxiliary beta subunits… · 9SR A2001 · binds ASP361, TYR362, GLU364, GLU927, GLU930, PHE1405, LYS1406, GLY1407 and 4 more

Residues it binds most

GLU 5, ASP 5, GLY 5, LYS 5, PHE 5, TRP 5, TYR 5, THR 4, ALA 1, ARG 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • LPE · 1-O-octadecyl-sn-glycero-3-phosphocholine
  • Y01 · Cholesterol hemisuccinate
  • P5S · O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy) propyl]oxy}(hydroxy)phosphoryl]-L-serine
  • NA · Sodium ion

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