Mercury in PDB 3px7: Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate

All present enzymatic activity of Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate:
5.99.1.2;

The structure of Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate, PDB code: 3px7 was solved by Z.Zhang, Y.C.Tse-Dinh, B.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.602, 91.759, 141.976, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 26.9

The binding sites of Mercury atom in the Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate (pdb code 3px7). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate, PDB code: 3px7:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg596 b:34.0 occ:0.70 SG A:CYS401 2.7 35.2 1.0 O A:CYS401 2.9 28.4 1.0 O A:GLY281 3.1 31.1 1.0 CB A:CYS401 3.3 21.2 1.0 CA A:CYS401 3.5 26.9 1.0 C A:CYS401 3.5 28.7 1.0 CD2 A:TYR355 3.5 48.7 1.0 CE2 A:TYR355 3.7 49.5 1.0 C A:GLY281 3.9 31.7 1.0 CA A:ALA282 4.1 29.5 1.0 CG A:TYR355 4.3 50.8 1.0 N A:ALA282 4.4 30.8 1.0 NE2 A:GLN402 4.5 36.3 1.0 CZ A:TYR355 4.6 47.8 1.0 CD A:PRO283 4.6 30.6 1.0 CB A:ASN353 4.6 47.8 1.0 N A:GLN402 4.7 28.4 1.0 CG A:PRO280 4.7 38.4 1.0 O A:PRO280 4.8 36.1 1.0 N A:CYS401 4.9 25.4 1.0 C A:ALA282 5.0 31.2 1.0 CB A:TYR355 5.0 52.2 1.0

Mercury binding site 2 out of 3 in the Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg6 b:52.4 occ:0.30 O4 B:DT1 1.8 78.4 1.0 C4 B:DT1 2.5 79.7 1.0 N3 B:DT1 2.7 79.8 1.0 O4 B:DT2 2.7 80.4 1.0 O4 C:DT8 3.2 46.5 1.0 C4 B:DT2 3.4 80.7 1.0 HG C:HG9 3.5 52.0 0.3 C4 C:DT8 3.7 43.7 1.0 N3 C:DT8 3.7 45.4 1.0 N3 B:DT2 3.8 81.0 1.0 C5 B:DT1 3.8 80.2 1.0 C2 B:DT1 4.0 79.3 1.0 C5 B:DT2 4.4 80.3 1.0 C7 B:DT1 4.5 77.7 1.0 O2 B:DT1 4.6 79.0 1.0 C6 B:DT1 4.7 80.8 1.0 C7 B:DT2 4.8 77.7 1.0 C2 C:DT8 4.8 44.6 1.0 C5 C:DT8 4.8 44.1 1.0 N1 B:DT1 4.8 80.0 1.0 C2 B:DT2 4.9 80.8 1.0

Mercury binding site 3 out of 3 in the Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Covalent Complex of Topoisomerase 1A with Substrate within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg9 b:52.0 occ:0.30 N3 C:DT8 2.5 45.4 1.0 O4 C:DT8 3.2 46.5 1.0 C4 C:DT8 3.2 43.7 1.0 C2 C:DT8 3.4 44.6 1.0 O2 C:DT8 3.4 42.1 1.0 HG B:HG6 3.5 52.4 0.3 O C:HOH63 3.6 56.2 1.0 N3 B:DT1 4.1 79.8 1.0 CD1 A:LEU86 4.2 69.6 1.0 O4 B:DT1 4.6 78.4 1.0 C5 C:DT8 4.6 44.1 1.0 N1 C:DT8 4.6 44.8 1.0 N3 C:DC7 4.7 41.2 1.0 C4 B:DT1 4.8 79.7 1.0 O2 B:DT1 4.8 79.0 1.0 C2 B:DT1 5.0 79.3 1.0

Y.C.Tse-Dinh, Z.Zhang, B.Cheng. Structure of E. Coli Topoisomerase I Trapped As Covalent Complex Intermediate with Cleaved Dna To Be Published.