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Mercury in PDB 8fal: Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione

Enzymatic activity of Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione

All present enzymatic activity of Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione:
4.2.1.1;

Protein crystallography data

The structure of Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione, PDB code: 8fal was solved by A.J.Kohlbrand, H.Seo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.42 / 1.37
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.009, 41.143, 71.915, 90, 104.56, 90
R / Rfree (%) 19 / 22.2

Other elements in 8fal:

The structure of Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione (pdb code 8fal). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione, PDB code: 8fal:

Mercury binding site 1 out of 1 in 8fal

Go back to Mercury Binding Sites List in 8fal
Mercury binding site 1 out of 1 in the Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Masking Thiol Reactivity with Thioamide-Based Mbps- Carbonic Anhydrase II Complexed with Benzo[D]Thiazole-2(3H)-Thione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg303

b:18.5
occ:1.00
 HG A:MBO303 0.0 18.5 1.0
CE1 A:MBO303 2.1 10.3 1.0
SG A:CYS206 2.3 16.4 1.0
O A:HOH539 2.9 23.2 1.0
O A:GLN137 3.0 11.4 1.0
CE6 A:MBO303 3.1 26.2 1.0
CE2 A:MBO303 3.1 20.5 1.0
HE6 A:MBO303 3.1 31.5 1.0
HE2 A:MBO303 3.1 24.6 1.0
O A:GLU205 3.2 11.9 1.0
CB A:CYS206 3.2 10.0 1.0
C A:GLN137 3.3 12.0 1.0
C A:GLU205 3.5 9.4 1.0
CA A:CYS206 3.5 7.9 1.0
N A:CYS206 3.7 9.0 1.0
N A:GLN137 3.7 13.4 1.0
O A:HOH566 3.9 20.6 1.0
N A:PRO138 3.9 12.6 1.0
CA A:PRO138 4.0 12.3 1.0
O A:VAL135 4.0 25.8 1.0
CA A:GLN137 4.1 13.0 1.0
C A:GLN136 4.2 15.9 1.0
N A:GLU205 4.2 10.4 1.0
CE5 A:MBO303 4.4 24.7 1.0
CE3 A:MBO303 4.4 22.7 1.0
CA A:GLU205 4.4 10.2 1.0
C A:VAL135 4.4 16.2 1.0
CA A:GLN136 4.7 15.1 1.0
O A:GLN136 4.7 17.9 1.0
N A:GLN136 4.8 14.6 1.0
O A:HOH670 4.9 29.0 1.0
CE4 A:MBO303 4.9 18.4 1.0
CD A:PRO138 4.9 15.3 1.0
C A:CYS206 4.9 7.8 1.0
C A:LEU204 4.9 10.7 1.0
C A:PRO138 5.0 12.6 1.0

Reference:

H.Seo, A.J.Kohlbrand, R.W.Stokes, J.Chung, S.M.Cohen. Masking Thiol Reactivity with Thioamide, Thiourea, and Thiocarbamate-Based Mbps. Chem.Commun.(Camb.) V. 59 2283 2023.
ISSN: ESSN 1364-548X
PubMed: 36735025
DOI: 10.1039/D2CC06596G
Page generated: Sun Aug 11 09:00:18 2024

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