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Ligand · 8CW

8CW · [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate

8CW, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-aza…

Component
8CW
Formula
C37 H49 Cl N7 O14 P
Class
ligand
Structures
2
PDB entries
2

Binding sites

8CW in 2 structures; the first of them:

  • 7VYP · The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated… · 8CW B701 · binds MET242, VAL243, PRO244, VAL24, PHE25, PHE26, HIS27, TYR82 and 25 more
  • 7VZZ · The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl… · 8CW A706 · binds VAL24, PHE25, PHE26, HIS27, ASP28, TYR82, PHE83, HIS87 and 26 more

Residues it binds most

HIS 2, GLY 2, PHE 2, VAL 2, TYR 2, ASP 2, MET 2, ARG 2, ASN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • 82Z · [(5S,6E,8S,9S,12R,13E,15E)-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl] carbamate
  • 83Z · (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione
  • AMP · Adenosine monophosphate
  • CA0 · 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine
  • CP · Phosphoric acid mono(formamide)ester

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