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Zinc in PDB 7cxy: Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form)

Enzymatic activity of Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form)

All present enzymatic activity of Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form):
4.2.1.1;

Protein crystallography data

The structure of Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form), PDB code: 7cxy was solved by M.S.Jin, S.Kim, J.Yeon, J.Sung, N.J.Kim, S.Hong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.88 / 2.20
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 119.862, 119.862, 67.587, 90, 90, 120
R / Rfree (%) 18.4 / 22.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form) (pdb code 7cxy). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form), PDB code: 7cxy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7cxy

Go back to Zinc Binding Sites List in 7cxy
Zinc binding site 1 out of 2 in the Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:30.1
occ:1.00
 OD1 A:ASP59 2.1 38.4 1.0
NE2 A:HIS113 2.1 35.9 1.0
SG A:CYS57 2.2 27.3 1.0
SG A:CYS116 2.3 29.0 1.0
CG A:ASP59 2.9 37.2 1.0
CD2 A:HIS113 3.1 34.1 1.0
CE1 A:HIS113 3.1 34.0 1.0
CB A:CYS57 3.1 24.7 1.0
OD2 A:ASP59 3.1 51.9 1.0
CB A:CYS116 3.3 37.2 1.0
CA A:CYS116 3.5 33.5 1.0
C A:CYS116 4.0 32.9 1.0
N A:GLY117 4.1 29.0 1.0
CB A:ASP59 4.2 36.3 1.0
ND1 A:HIS113 4.2 33.6 1.0
CG A:HIS113 4.2 30.5 1.0
C A:ASP59 4.2 42.7 1.0
N A:SER60 4.3 48.1 1.0
N A:GLY118 4.3 25.1 1.0
O A:HOH422 4.4 27.9 1.0
N A:ASP59 4.4 33.4 1.0
CA A:ASP59 4.4 37.8 1.0
CA A:CYS57 4.5 23.3 1.0
O A:ASP59 4.7 54.5 1.0
N A:ALA82 4.7 22.7 1.0
CA A:ALA82 4.7 22.9 1.0
N A:CYS116 4.8 38.6 1.0
OD1 A:ASN83 4.9 27.0 1.0
CA A:GLY118 5.0 26.8 1.0
C A:CYS57 5.0 25.4 1.0
O A:CYS116 5.0 32.6 1.0

Zinc binding site 2 out of 2 in 7cxy

Go back to Zinc Binding Sites List in 7cxy
Zinc binding site 2 out of 2 in the Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Insights Into Novel Mechanisms of Inhibition of the Major B-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus (Zinc-Bound Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:31.7
occ:1.00
 OD1 B:ASP59 2.0 41.8 1.0
NE2 B:HIS113 2.1 37.1 1.0
SG B:CYS116 2.3 30.6 1.0
SG B:CYS57 2.4 28.3 1.0
CG B:ASP59 2.9 38.0 1.0
CE1 B:HIS113 3.0 34.6 1.0
CD2 B:HIS113 3.1 34.2 1.0
CB B:CYS57 3.1 25.9 1.0
OD2 B:ASP59 3.2 46.4 1.0
CB B:CYS116 3.3 36.1 1.0
CA B:CYS116 3.5 33.7 1.0
C B:CYS116 4.1 32.3 1.0
CB B:ASP59 4.1 40.1 1.0
ND1 B:HIS113 4.2 34.5 1.0
N B:GLY117 4.2 31.0 1.0
CG B:HIS113 4.2 31.3 1.0
N B:SER60 4.3 42.8 1.0
C B:ASP59 4.3 39.3 1.0
O B:HOH430 4.4 28.0 1.0
N B:ASP59 4.4 32.4 1.0
N B:GLY118 4.4 29.9 1.0
CA B:ASP59 4.5 36.3 1.0
CA B:CYS57 4.5 23.7 1.0
O B:HOH446 4.8 41.1 1.0
N B:ALA82 4.8 22.6 1.0
CA B:ALA82 4.8 22.7 1.0
O B:ASP59 4.8 49.3 1.0
N B:CYS116 4.9 35.6 1.0
C B:CYS57 5.0 28.9 1.0
OD1 B:ASN83 5.0 22.3 1.0

Reference:

S.Kim, J.Yeon, J.Sung, N.J.Kim, S.Hong, M.S.Jin. Structural Insights Into Novel Mechanisms of Inhibition of the Major Beta-Carbonic Anhydrase Cafb From the Pathogenic Fungus Aspergillus Fumigatus. J.Struct.Biol. V. 213 07700 2021.
ISSN: ESSN 1095-8657
PubMed: 33545350
DOI: 10.1016/J.JSB.2021.107700
Page generated: Tue Oct 29 18:29:26 2024

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