Table 3 Docking analysis with PDBID:2ito and 1nun.

From: Anti-proliferative activity, molecular genetics, docking analysis, and computational calculations of uracil cellulosic aldehyde derivatives

PDBID:2ITO

 

PDBID:1NUN

 

Affinity of Energy (kcal/mol)

Distance (Å)

Amino acids

 

Affinity of Energy (kcal/mol)

Distance (Å)

Amino acids

MDAC(2)

− 9.84

2.1, 2.74 Å

Thr 751, Glu 749, Thr 785, Ser784, Glu 746

MDAC(2)

− 8.9231

2.41,2.57,2.87 Å

Tyr A177, Lys A 195,Gln A175

MDAU(4)

− 10.325

1.72, 2.51 Å

Glu 746, Lys 714, Gln 787, Glu 709, Thr 783, Glu 749, Thr 751

MDAU(4)

-9.612

2.48, 2.66 Å

Lys A153, Arg A135, Gln A175, Arg A174, Arg A1974

MDAP(5)

− 10.052

1.58,2.61,2.73,2.89 Å

Tyr 727, Lys 714, Glu 746, Glu 749

MDAP(5)

− 8.524

2.47, 2.59, 2.85, 3.06 Å

Lys A1975, Lys A153, Arg A155, Gln A175, Tyr A177, Arg A193

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