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Ligand · 1QD

1QD · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

1QD, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate (C24 H28 I N6…

Component
1QD
Formula
C24 H28 I N6 O13 P2 +1
Class
ligand
Structures
3
PDB entries
2

Binding sites

1QD in 3 structures; the first of them:

  • 7NAG · Crystal structure of the TIR domain from human SARM1 in complex with 1AD · 1QD A801 · binds PHE565, ILE566, SER567, TYR568, ARG569, ARG570, ASN571, ASP594 and 8 more
  • 7NAG · Crystal structure of the tir domain from human SARM1 in complex with 1AD · 1QD A801 · binds SER567, TYR568, ARG569, ARG570, ASP594, LEU598, PHE603, LEU607 and 3 more
  • 7NAK · Cryo-EM structure of activated human SARM1 in complex with nmn and 1AD (TIR:1AD) · 1QD D801 · binds TYR568, ARG569, ARG570, ASP594, LEU598, PHE603, TRP638, VAL639 and 6 more

Residues it binds most

ARG 12, LEU 12, PHE 12, ASP 12, TRP 12, GLU 12, TYR 12, VAL 10, SER 9, ASN 8 (residue and the binding sites it lines).

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