Ligand · 9XR

9XR · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

9XR, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) (C22 H29 N7 O14 P2, 677.5 g/mol), in the MolNFT…

Component: 9XR
Formula: C22 H29 N7 O14 P2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

9XR in 2 structures; the first of them:

7SNE · Pertussis toxin S1 subunit bound to BaAD · 9XR A201 · binds TYR8, ARG9, TYR10, ASP11, SER12, ARG13, THR24, ALA25 and 13 more
7SNE · Pertussis toxin S1 subunit bound to baad · 9XR A201 · binds ARG9, TYR10, ASP11, SER12, ARG13, THR24, ALA25, TRP26 and 12 more

Residues it binds most

SER 8, TYR 8, THR 8, ARG 8, ASP 8, GLN 8, GLU 8, GLY 8, LEU 8, TRP 8 (residue and the binding sites it lines).

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