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Ligand · RRC

RRC · R-roscovitine

RRC, R-roscovitine (C19 H26 N6 O, 354.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
RRC
Formula
C19 H26 N6 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

RRC in 2 structures; the first of them:

  • 8BU9 · Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K · RRC B1101 · binds ARG928, ILE733, VAL741, ALA754, LYS756, VAL787, PHE813, GLU814 and 9 more
  • 8FP0 · Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine · RRC A303 · binds GLU8, ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81 and 10 more

Residues it binds most

ALA 4, ASP 4, VAL 4, GLU 4, LEU 4, PHE 4, ASN 4, HIS 4, ILE 4, LYS 4 (residue and the binding sites it lines).

Found with

  • 7TW · 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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