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Ligand · J2B

J2B · O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl) phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate

J2B, O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl) phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen…

Component
J2B
Formula
C20 H28 N10 O12 P2 S2
Class
ligand
Structures
1
PDB entries
1

Binding sites

J2B in 1 structure; the first of them:

  • 6EA8 · Structure of vacv poxin in pre-reactive state with nonhydrolyzable 2'3' cgamp · J2B H301 · binds ALA129, VAL130, TYR138, LYS142, ALA145, ASN149, ILE167, GLN169 and 10 more

Residues it binds most

ALA 1, ARG 1, ILE 1, LYS 1, ASN 1, GLN 1, HIS 1, LEU 1, PHE 1, TYR 1 (residue and the binding sites it lines).

Found with

  • J2A · (2s,5r,7r,8r,10r,12ar,14r,15r,15as,16r)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2H,10H, 12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-L][1, 3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione

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