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Table 2 CDK binding site

From: visGReMLIN: graph mining-based detection and visualization of conserved motifs at 3D protein-ligand interface at the atomic level

Residue

Atom

visGReMLIN

ASP145

CB

\( \checkmark \)

 

CG

×

 

OD1

\(\checkmark \)

LYS33

CB

\(\checkmark \)

 

CD

\(\checkmark \)

 

CE

×

 

CG

\(\checkmark \)

 

NZ

∙

ASP86

N

\(\checkmark \)

 

CB

\(\checkmark \)

 

OD1

∙

 

OD2

\(\checkmark \)

LYS89

CB

\(\checkmark \)

 

CE

×

 

NZ

∙

HIS84

O

×

LEU83

N

\(\checkmark \)

 

O

\(\checkmark \)

PHE82

CE2

\(\checkmark \)

 

CZ

\(\checkmark \)

GLU81

O

\(\checkmark \)

PHE80

CB

\(\checkmark \)

 

CG

\(\checkmark \)

 

CD2

\(\checkmark \)

 

CE2

\(\checkmark \)

 

CZ

∙

  1. Residues from CDK that interact with the 2 most potent sulfonamide analogue inhibitors
  2. \(\checkmark \) Residues/atoms found in patterns;
  3. ∙ Found but not in patterns;
  4. × Not found
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BMC Bioinformatics

ISSN: 1471-2105

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