Zinc in PDB 6x9k: Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3685032A

All present enzymatic activity of Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3685032A:
2.1.1.37;

The structure of Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3685032A, PDB code: 6x9k 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)	40.00 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.318, 78.336, 117.068, 90, 125.76, 90
R / Rfree (%)	18.2 / 22.8

The binding sites of Zinc atom in the Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3685032A (pdb code 6x9k). 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 GSK3685032A, PDB code: 6x9k:
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 GSK3685032A


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 GSK3685032A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1701 b:78.2 occ:1.00 NE2 A:HIS1502 2.0 118.6 1.0 SG A:CYS1476 2.2 80.0 1.0 SG A:CYS1485 2.3 81.0 1.0 SG A:CYS1478 2.3 72.8 1.0 CD2 A:HIS1502 2.9 112.0 1.0 CB A:CYS1476 3.1 79.9 1.0 CE1 A:HIS1502 3.1 112.9 1.0 CB A:CYS1478 3.1 77.3 1.0 CB A:CYS1485 3.2 90.4 1.0 CA A:CYS1485 3.6 97.3 1.0 N A:CYS1478 3.9 86.8 1.0 CG A:HIS1502 4.1 104.9 1.0 ND1 A:HIS1502 4.2 108.6 1.0 CA A:CYS1478 4.2 83.2 1.0 N A:CYS1485 4.4 97.4 1.0 CA A:CYS1476 4.5 86.2 1.0 C A:CYS1476 4.6 91.5 1.0 N A:SER1477 4.7 92.8 1.0 C A:CYS1485 4.8 104.1 1.0 CZ2 A:TRP1498 4.8 72.5 1.0 CH2 A:TRP1498 4.9 65.6 1.0

Zinc binding site 2 out of 2 in the Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3685032A


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 GSK3685032A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1702 b:85.9 occ:1.00 NE2 A:HIS793 2.0 120.1 1.0 SG A:CYS820 2.3 61.1 1.0 SG A:CYS896 2.4 90.0 1.0 SG A:CYS893 2.4 98.0 1.0 CD2 A:HIS793 3.0 112.0 1.0 CE1 A:HIS793 3.1 116.5 1.0 CB A:CYS820 3.1 61.3 1.0 CB A:CYS893 3.4 104.7 1.0 CB A:CYS896 3.4 86.1 1.0 N A:CYS896 3.5 96.4 1.0 CA A:CYS896 3.9 80.3 1.0 CG A:HIS793 4.1 111.2 1.0 ND1 A:HIS793 4.1 116.3 1.0 CB A:SER895 4.2 92.3 1.0 OG A:SER895 4.4 89.3 1.0 C A:SER895 4.4 93.1 1.0 CA A:CYS820 4.5 63.8 1.0 CA A:SER895 4.8 92.0 1.0 C A:CYS820 4.8 69.3 1.0 CA A:CYS893 4.8 106.3 1.0 N A:GLU821 5.0 64.8 1.0

S.Pathuri, J.R.Horton, X.Zhang, X.Cheng. Human DNMT1(729-1600) Bound to Zebularine-Containing 12MER Dsdna and Inhibitor GSK3685032A To Be Published.