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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