Zinc in PDB 6x9j: Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052

All present enzymatic activity of Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052:
2.1.1.37;

The structure of Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052, PDB code: 6x9j was solved by S.Pathuri, J.R.Horton, X.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.92 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.058, 77.765, 116.72, 90, 125.35, 90
R / Rfree (%)	20 / 22.9

The binding sites of Zinc atom in the Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052 (pdb code 6x9j). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052, PDB code: 6x9j:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1701 b:69.5 occ:1.00 NE2 A:HIS1502 2.1 111.3 1.0 SG A:CYS1478 2.2 93.7 1.0 SG A:CYS1476 2.2 79.2 1.0 SG A:CYS1485 2.4 93.8 1.0 CE1 A:HIS1502 3.0 106.6 1.0 CB A:CYS1478 3.1 92.8 1.0 CD2 A:HIS1502 3.2 107.2 1.0 CB A:CYS1485 3.3 96.4 1.0 CB A:CYS1476 3.7 78.2 1.0 CA A:CYS1485 3.7 98.4 1.0 CA A:CYS1478 4.0 92.3 1.0 N A:CYS1478 4.0 90.9 1.0 ND1 A:HIS1502 4.1 103.7 1.0 CG A:HIS1502 4.3 101.7 1.0 N A:CYS1485 4.5 100.2 1.0 C A:CYS1485 4.9 100.3 1.0 CA A:CYS1476 5.0 82.3 1.0

Zinc binding site 2 out of 2 in the Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1702 b:40.4 occ:1.00 NE2 A:HIS793 2.1 52.7 1.0 SG A:CYS896 2.2 50.4 1.0 SG A:CYS893 2.2 47.3 1.0 SG A:CYS820 2.3 45.5 1.0 CB A:CYS820 3.0 43.2 1.0 CD2 A:HIS793 3.0 49.6 1.0 CE1 A:HIS793 3.1 51.2 1.0 CB A:CYS893 3.3 50.1 1.0 CB A:CYS896 3.3 49.9 1.0 N A:CYS896 3.4 48.7 1.0 CA A:CYS896 3.8 48.9 1.0 ND1 A:HIS793 4.2 50.6 1.0 CG A:HIS793 4.2 48.2 1.0 O A:HOH2110 4.2 61.3 1.0 CB A:SER895 4.2 46.2 1.0 C A:SER895 4.3 45.1 1.0 CA A:CYS820 4.4 40.6 1.0 OG A:SER895 4.5 44.6 1.0 CA A:CYS893 4.6 52.7 1.0 CA A:SER895 4.7 45.1 1.0 C A:CYS820 4.7 40.4 1.0 O A:CYS893 4.8 51.4 1.0 C A:CYS893 4.9 53.1 1.0 N A:GLU821 4.9 42.9 1.0 N A:SER895 4.9 47.9 1.0

S.Pathuri, J.R.Horton, X.Zhang, X.Cheng. Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3830052 To Be Published.