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

Protein crystallography data

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

Other elements in 7v39:

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

Zinc (Zn) 2 atoms

Mercury Binding Sites:

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 7v39

Go back to Mercury Binding Sites List in 7v39
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 7v39

Go back to Mercury Binding Sites List in 7v39
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

Reference:

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
Page generated: Sun Aug 11 08:54:49 2024

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