Zinc 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:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc 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:

Zinc binding site 1 out of 1 in 8fal

Go back to Zinc Binding Sites List in 8fal
Zinc 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 Zinc with other atoms in the Zn 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:Zn301

b:8.7
occ:1.00
 O A:HOH406 2.0 20.3 1.0
NE2 A:HIS94 2.1 6.4 1.0
ND1 A:HIS119 2.1 5.9 1.0
NE2 A:HIS96 2.1 7.0 1.0
S01 A:XO9302 2.7 32.3 1.0
CE1 A:HIS119 3.0 6.3 1.0
CD2 A:HIS94 3.0 7.2 1.0
CD2 A:HIS96 3.0 7.5 1.0
CE1 A:HIS94 3.1 7.7 1.0
CE1 A:HIS96 3.1 8.5 1.0
CG A:HIS119 3.1 6.2 1.0
C02 A:XO9302 3.5 29.5 1.0
CB A:HIS119 3.6 6.2 1.0
OG1 A:THR199 3.6 9.9 1.0
N03 A:XO9302 3.7 26.0 1.0
OE1 A:GLU106 4.0 8.7 1.0
NE2 A:HIS119 4.1 6.2 1.0
CG A:HIS94 4.2 7.1 1.0
ND1 A:HIS94 4.2 8.1 1.0
ND1 A:HIS96 4.2 9.6 1.0
CG A:HIS96 4.2 5.5 1.0
CD2 A:HIS119 4.2 6.5 1.0
O A:HOH647 4.3 24.4 1.0
S10 A:XO9302 4.9 30.0 1.0
CB A:THR199 4.9 8.7 1.0
CD A:GLU106 4.9 8.7 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: Wed Oct 30 20:16:00 2024

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