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Zinc in PDB 6jqe: The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus

Enzymatic activity of The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus

All present enzymatic activity of The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus:
4.2.1.1;

Protein crystallography data

The structure of The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus, PDB code: 6jqe was solved by M.S.Jin, S.Kim, N.J.Kim, S.Hong, S.Kim, J.Sung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.23 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.240, 57.298, 73.147, 90.00, 112.13, 90.00
R / Rfree (%) 20.5 / 25.2

Zinc Binding Sites:

The binding sites of Zinc atom in the The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus (pdb code 6jqe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus, PDB code: 6jqe:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 6jqe

Go back to Zinc Binding Sites List in 6jqe
Zinc binding site 1 out of 3 in the The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn201

b:26.6
occ:1.00
 NE2 A:HIS89 2.0 19.4 1.0
OD1 A:ASP36 2.1 31.9 1.0
SG A:CYS34 2.3 24.9 1.0
SG A:CYS92 2.4 26.7 1.0
CE1 A:HIS89 3.0 23.4 1.0
CD2 A:HIS89 3.0 21.5 1.0
CG A:ASP36 3.0 32.5 1.0
CB A:CYS34 3.0 26.7 1.0
CB A:CYS92 3.2 28.5 1.0
OD2 A:ASP36 3.4 35.3 1.0
CA A:CYS92 3.7 28.3 1.0
ND1 A:HIS89 4.1 23.7 1.0
CG A:HIS89 4.1 20.9 1.0
O A:HOH306 4.2 23.6 1.0
CB A:ASP36 4.3 29.6 1.0
N A:ASP36 4.3 26.1 1.0
C A:ASP36 4.4 29.6 1.0
N A:SER37 4.4 26.9 1.0
N A:HIS93 4.4 29.0 1.0
CA A:CYS34 4.4 24.8 1.0
C A:CYS92 4.5 26.4 1.0
CA A:ASP36 4.5 27.4 1.0
CD1 A:ILE94 4.8 38.8 1.0
C A:CYS34 4.8 23.9 1.0
OD1 A:ASN60 4.8 24.7 1.0
N A:ILE94 4.8 32.0 1.0
O A:ASP36 4.8 25.1 1.0
CA A:GLY59 4.9 33.8 1.0
N A:CYS92 4.9 32.5 1.0
CB A:ILE94 4.9 36.9 1.0
CB A:SER37 5.0 30.8 1.0

Zinc binding site 2 out of 3 in 6jqe

Go back to Zinc Binding Sites List in 6jqe
Zinc binding site 2 out of 3 in the The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn202

b:55.3
occ:1.00
 O B:HOH302 2.1 53.9 1.0
SG A:CYS39 2.4 45.3 1.0
SG B:CYS39 2.4 44.2 1.0
CB A:CYS39 3.0 44.6 1.0
CB B:CYS39 3.2 43.5 1.0
CA A:CYS39 3.4 43.9 1.0
CA B:CYS39 3.5 44.2 1.0
OE2 B:GLU54 3.9 44.8 1.0
OE1 B:GLU54 4.0 36.0 1.0
OE2 A:GLU54 4.0 45.4 1.0
OE1 A:GLU54 4.1 36.2 1.0
N A:CYS39 4.1 47.0 1.0
O B:HOH307 4.1 56.7 1.0
N B:CYS39 4.2 48.1 1.0
CD B:GLU54 4.4 43.6 1.0
CD1 B:LEU42 4.4 44.0 1.0
CD1 A:LEU42 4.5 36.4 1.0
CD A:GLU54 4.5 37.6 1.0
C A:CYS39 4.7 41.4 1.0
C B:CYS39 4.8 45.0 1.0
O B:CYS39 4.9 48.2 1.0
O A:CYS39 4.9 42.7 1.0

Zinc binding site 3 out of 3 in 6jqe

Go back to Zinc Binding Sites List in 6jqe
Zinc binding site 3 out of 3 in the The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Structural Basis of the Beta-Carbonic Anhydrases Cafd (Wild Type) of the Filamentous Fungus Aspergillus Fumigatus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn201

b:25.6
occ:1.00
 NE2 B:HIS89 2.0 21.4 1.0
OD1 B:ASP36 2.0 25.9 1.0
SG B:CYS34 2.3 25.6 1.0
SG B:CYS92 2.3 25.7 1.0
CE1 B:HIS89 3.0 23.0 1.0
CG B:ASP36 3.0 28.2 1.0
CD2 B:HIS89 3.0 21.2 1.0
CB B:CYS34 3.1 21.9 1.0
CB B:CYS92 3.2 25.3 1.0
OD2 B:ASP36 3.3 31.1 1.0
CA B:CYS92 3.6 28.1 1.0
ND1 B:HIS89 4.1 22.4 1.0
CG B:HIS89 4.1 21.3 1.0
O B:HOH311 4.1 23.6 1.0
CB B:ASP36 4.2 27.7 1.0
N B:ASP36 4.3 26.8 1.0
N B:HIS93 4.3 31.8 1.0
C B:ASP36 4.4 28.4 1.0
C B:CYS92 4.4 28.8 1.0
N B:SER37 4.4 28.6 1.0
CA B:ASP36 4.5 28.9 1.0
CA B:CYS34 4.5 20.9 1.0
O B:ASP36 4.8 25.1 1.0
N B:ILE94 4.8 29.2 1.0
C B:CYS34 4.8 21.9 1.0
OD1 B:ASN60 4.8 23.3 1.0
O B:HOH330 4.8 45.2 1.0
CA B:GLY59 4.8 21.8 1.0
N B:CYS92 4.9 27.5 1.0
CD1 B:ILE94 4.9 34.4 1.0
CB B:ILE94 4.9 32.0 1.0

Reference:

S.Kim, N.J.Kim, S.Hong, S.Kim, J.Sung, M.S.Jin. The Structural Basis of the Low Catalytic Activities of the Two Minor Beta-Carbonic Anhydrases of the Filamentous Fungus Aspergillus Fumigatus. J.Struct.Biol. V. 208 61 2019.
ISSN: ESSN 1095-8657
PubMed: 31376470
DOI: 10.1016/J.JSB.2019.07.011
Page generated: Tue Oct 29 01:22:43 2024

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