Mercury in PDB 7v39: Crystal Structure of Np Exonuclease-Pcmb Complex

The structure of Crystal Structure of Np Exonuclease-Pcmb Complex, PDB code: 7v39 was solved by Y.Y.Hsiao, K.W.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.82 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.185, 76.292, 140.784, 90, 90, 90
R / Rfree (%)	20 / 23

The structure of Crystal Structure of Np Exonuclease-Pcmb Complex also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Mercury atom in the Crystal Structure of Np Exonuclease-Pcmb Complex (pdb code 7v39). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Crystal Structure of Np Exonuclease-Pcmb Complex, PDB code: 7v39:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Crystal Structure of Np Exonuclease-Pcmb Complex


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 Np Exonuclease-Pcmb Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg602 b:236.4 occ:1.00 HG A:HGB602 0.0 236.4 1.0 SG A:CYS409 2.3 63.4 1.0 C7 A:HGB602 2.5 95.8 1.0 CB A:CYS409 3.1 44.2 1.0 O A:GLN379 3.3 50.4 1.0 C5 A:HGB602 3.4 95.1 1.0 C6 A:HGB602 3.4 96.4 1.0 NH2 A:ARG551 3.5 69.5 1.0 CB A:GLN379 3.8 56.5 1.0 CG A:ARG551 3.8 54.7 1.0 CG A:GLN379 4.0 67.3 1.0 CA A:CYS409 4.1 34.8 1.0 C A:GLN379 4.2 47.2 1.0 CD A:ARG551 4.5 63.0 1.0 CG2 A:VAL553 4.5 31.0 1.0 CA A:GLN379 4.5 47.9 1.0 CZ A:ARG551 4.5 70.7 1.0 N A:CYS409 4.7 33.9 1.0 C3 A:HGB602 4.7 95.6 1.0 C4 A:HGB602 4.8 97.1 1.0 NE A:ARG551 4.9 68.3 1.0 O A:ARG551 4.9 34.2 1.0 CB A:ARG551 5.0 44.9 1.0 CD A:GLN379 5.0 75.1 1.0

Mercury binding site 2 out of 2 in the Crystal Structure of Np Exonuclease-Pcmb Complex


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 Np Exonuclease-Pcmb Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg602 b:231.4 occ:1.00 HG B:HGB602 0.0 231.4 1.0 SG B:CYS409 2.3 57.5 1.0 C7 B:HGB602 2.5 76.2 1.0 NH1 B:ARG551 3.1 70.2 1.0 NE B:ARG551 3.4 68.3 1.0 C5 B:HGB602 3.4 76.8 1.0 C6 B:HGB602 3.4 74.3 1.0 CZ B:ARG551 3.5 70.6 1.0 CB B:CYS409 3.5 44.5 1.0 CB B:GLN379 3.6 45.2 1.0 CG B:GLN379 4.0 51.5 1.0 CB B:ARG551 4.1 49.1 1.0 CA B:CYS409 4.2 34.2 1.0 O B:GLN379 4.3 52.6 1.0 CD B:ARG551 4.5 63.8 1.0 NH2 B:ARG551 4.5 72.5 1.0 CG2 B:VAL553 4.6 40.9 1.0 CA B:GLN379 4.7 46.4 1.0 N B:CYS409 4.7 31.2 1.0 C3 B:HGB602 4.7 76.9 1.0 C4 B:HGB602 4.7 74.0 1.0 CD B:GLN379 4.8 60.8 1.0 C B:GLN379 4.8 50.4 1.0 O B:ARG551 4.8 35.6 1.0 OE1 B:GLN379 4.8 62.0 1.0 CG B:ARG551 4.8 57.3 1.0

K.W.Huang, J.W.Chen, T.Y.Hua, Y.Y.Chu, T.Y.Chiu, J.Y.Liu, C.I.Tu, K.C.Hsu, Y.T.Kao, J.W.Chu, Y.Y.Hsiao. Targeted Covalent Inhibitors Allosterically Deactivate the Deddhlassa Fever Virus Np Exonuclease From Alternative Distal Site. Jacs Au 2021.
ISSN: ESSN 2691-3704
DOI: 10.1021/JACSAU.1C00420