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Ligand · CKI

CKI · N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide

CKI, N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide (C11 H12 Cl N3 O2 S, 285.8 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
CKI
Formula
C11 H12 Cl N3 O2 S
Class
ligand
Structures
8
PDB entries
4

Binding sites

CKI in 8 structures; the first of them:

  • 2CSN · Binary complex of casein kinase-1 with CKI7 · CKI A300 · binds ILE18, GLY19, ILE26, ALA39, TYR59, ILE85, ASP86, LEU87 and 8 more
  • 3Q2J · Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa Protein Kinase… · CKI A300 · binds ASP22, MET26, VAL31, TYR42, LYS44, PRO74, MET90, SER91 and 6 more
  • 3Q2M · Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, Protein Kinase… · CKI A400 · binds ILE29, PHE50, LYS52, ILE78, TYR100, PRO101, PHE102, ILE103 and 5 more
  • 4XHL · Structure of S. cerevisiae Hrr25 1-394 (K38R mutant) · CKI A401 · binds ILE15, ILE23, ALA36, TYR56, ILE82, ASP83, LEU84, LEU85 and 6 more
  • 2CSN · Binary complex of casein kinase-1 with CKI7 · CKI A300 · binds ILE18, GLY19, ILE26, ALA39, TYR59, ILE85, ASP86, LEU87 and 8 more
  • 3Q2J · Crystal structure of 3',5"-aminoglycoside phosphotransferase type iiia protein kinase… · CKI A300 · binds ASP22, MET26, VAL31, TYR42, LYS44, PRO74, MET90, SER91 and 6 more
  • 3Q2M · Crystal structure of spectinomycin phosphotransferase, APH(9)-ia, protein kinase… · CKI A400 · binds ILE29, PHE50, LYS52, ILE78, TYR100, PRO101, PHE102, ILE103 and 5 more
  • 4XHL · Structure of S. cerevisiae HRR25 1-394 (K38R mutant) · CKI A401 · binds ILE15, ILE23, ALA36, TYR56, ILE82, ASP83, LEU84, LEU85 and 6 more

Residues it binds most

ILE 10, LEU 10, ASP 8, PRO 10, SER 8, ALA 10, TYR 10, MET 4, PHE 6, GLY 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CA · Calcium ion
  • NI · Nickel (II) ion

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