Zinc in PDB 8dpo: Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide
Enzymatic activity of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide
All present enzymatic activity of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide:
4.2.1.1;
Protein crystallography data
The structure of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide, PDB code: 8dpo
was solved by
A.K.Marapaka,
C.Das,
D.P.Flaherty,
R.Yadav,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.99 /
2.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.873,
122.561,
78.214,
90,
117.14,
90
|
R / Rfree (%)
|
19.2 /
25.6
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide
(pdb code 8dpo). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide, PDB code: 8dpo:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 8dpo
Go back to
Zinc Binding Sites List in 8dpo
Zinc binding site 1 out
of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_01.jpg) Mono view
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn302
b:29.5
occ:1.00
|
N1
|
A:AZM301
|
2.1
|
31.2
|
1.0
|
NE2
|
A:HIS92
|
2.1
|
24.8
|
1.0
|
ND1
|
A:HIS111
|
2.1
|
24.6
|
1.0
|
NE2
|
A:HIS94
|
2.2
|
25.9
|
1.0
|
S1
|
A:AZM301
|
2.6
|
32.1
|
1.0
|
O1
|
A:AZM301
|
2.7
|
31.8
|
1.0
|
CD2
|
A:HIS94
|
3.1
|
25.5
|
1.0
|
CE1
|
A:HIS111
|
3.1
|
25.7
|
1.0
|
CD2
|
A:HIS92
|
3.1
|
25.0
|
1.0
|
CE1
|
A:HIS92
|
3.1
|
26.2
|
1.0
|
CG
|
A:HIS111
|
3.1
|
24.9
|
1.0
|
CE1
|
A:HIS94
|
3.2
|
24.6
|
1.0
|
CB
|
A:HIS111
|
3.5
|
23.9
|
1.0
|
O2
|
A:AZM301
|
3.8
|
33.0
|
1.0
|
OE1
|
A:GLU98
|
3.9
|
26.2
|
1.0
|
C1
|
A:AZM301
|
3.9
|
34.8
|
1.0
|
OG1
|
A:THR177
|
4.0
|
17.8
|
1.0
|
ND1
|
A:HIS92
|
4.3
|
24.7
|
1.0
|
CG
|
A:HIS92
|
4.3
|
24.4
|
1.0
|
CG
|
A:HIS94
|
4.3
|
24.9
|
1.0
|
NE2
|
A:HIS111
|
4.3
|
24.8
|
1.0
|
CD2
|
A:HIS111
|
4.3
|
24.6
|
1.0
|
ND1
|
A:HIS94
|
4.3
|
24.0
|
1.0
|
N3
|
A:AZM301
|
4.5
|
33.1
|
1.0
|
CD
|
A:GLU98
|
4.9
|
27.7
|
1.0
|
CA
|
A:HIS111
|
5.0
|
23.8
|
1.0
|
|
Zinc binding site 2 out
of 4 in 8dpo
Go back to
Zinc Binding Sites List in 8dpo
Zinc binding site 2 out
of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_02.jpg) Mono view
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn302
b:29.5
occ:1.00
|
N1
|
C:AZM301
|
2.1
|
34.9
|
1.0
|
NE2
|
C:HIS92
|
2.1
|
19.1
|
1.0
|
NE2
|
C:HIS94
|
2.2
|
24.8
|
1.0
|
ND1
|
C:HIS111
|
2.2
|
21.2
|
1.0
|
O1
|
C:AZM301
|
2.6
|
37.4
|
1.0
|
S1
|
C:AZM301
|
2.6
|
34.3
|
1.0
|
CE1
|
C:HIS92
|
3.1
|
20.5
|
1.0
|
CD2
|
C:HIS92
|
3.1
|
20.3
|
1.0
|
CE1
|
C:HIS111
|
3.1
|
23.1
|
1.0
|
CD2
|
C:HIS94
|
3.1
|
24.6
|
1.0
|
CG
|
C:HIS111
|
3.2
|
22.7
|
1.0
|
CE1
|
C:HIS94
|
3.2
|
25.6
|
1.0
|
CB
|
C:HIS111
|
3.6
|
24.4
|
1.0
|
O2
|
C:AZM301
|
3.8
|
28.7
|
1.0
|
OE1
|
C:GLU98
|
3.9
|
23.3
|
1.0
|
OG1
|
C:THR177
|
3.9
|
20.5
|
1.0
|
C1
|
C:AZM301
|
4.0
|
34.8
|
1.0
|
ND1
|
C:HIS92
|
4.1
|
19.3
|
1.0
|
CG
|
C:HIS92
|
4.2
|
20.4
|
1.0
|
NE2
|
C:HIS111
|
4.3
|
22.2
|
1.0
|
CG
|
C:HIS94
|
4.3
|
23.9
|
1.0
|
ND1
|
C:HIS94
|
4.3
|
24.6
|
1.0
|
CD2
|
C:HIS111
|
4.4
|
23.2
|
1.0
|
N3
|
C:AZM301
|
4.8
|
31.7
|
1.0
|
CD
|
C:GLU98
|
5.0
|
24.2
|
1.0
|
CA
|
C:HIS111
|
5.0
|
23.7
|
1.0
|
|
Zinc binding site 3 out
of 4 in 8dpo
Go back to
Zinc Binding Sites List in 8dpo
Zinc binding site 3 out
of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_03.jpg) Mono view
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn302
b:25.7
occ:1.00
|
NE2
|
E:HIS94
|
2.0
|
21.0
|
1.0
|
N1
|
E:AZM301
|
2.1
|
29.5
|
1.0
|
NE2
|
E:HIS92
|
2.1
|
20.2
|
1.0
|
ND1
|
E:HIS111
|
2.2
|
18.4
|
1.0
|
S1
|
E:AZM301
|
2.6
|
27.7
|
1.0
|
O1
|
E:AZM301
|
2.6
|
25.6
|
1.0
|
CD2
|
E:HIS94
|
3.0
|
21.6
|
1.0
|
CE1
|
E:HIS94
|
3.1
|
22.8
|
1.0
|
CD2
|
E:HIS92
|
3.1
|
20.0
|
1.0
|
CE1
|
E:HIS92
|
3.1
|
20.2
|
1.0
|
CG
|
E:HIS111
|
3.2
|
19.7
|
1.0
|
CE1
|
E:HIS111
|
3.2
|
19.1
|
1.0
|
CB
|
E:HIS111
|
3.4
|
19.1
|
1.0
|
O2
|
E:AZM301
|
3.8
|
27.5
|
1.0
|
C1
|
E:AZM301
|
4.0
|
28.7
|
1.0
|
OG1
|
E:THR177
|
4.0
|
20.1
|
1.0
|
CG
|
E:HIS94
|
4.2
|
21.2
|
1.0
|
ND1
|
E:HIS94
|
4.2
|
22.2
|
1.0
|
OE1
|
E:GLU98
|
4.2
|
20.2
|
1.0
|
ND1
|
E:HIS92
|
4.2
|
18.6
|
1.0
|
CG
|
E:HIS92
|
4.2
|
19.7
|
1.0
|
CD2
|
E:HIS111
|
4.3
|
19.0
|
1.0
|
NE2
|
E:HIS111
|
4.4
|
17.4
|
1.0
|
N3
|
E:AZM301
|
4.6
|
28.5
|
1.0
|
CA
|
E:HIS111
|
4.9
|
19.4
|
1.0
|
|
Zinc binding site 4 out
of 4 in 8dpo
Go back to
Zinc Binding Sites List in 8dpo
Zinc binding site 4 out
of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_04.jpg) Mono view
![](/pictures/ZN/pdb/dp/8dpo-ZN-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Zn302
b:30.3
occ:1.00
|
NE2
|
G:HIS92
|
1.9
|
29.9
|
1.0
|
N1
|
G:AZM301
|
2.1
|
31.9
|
1.0
|
NE2
|
G:HIS94
|
2.2
|
29.9
|
1.0
|
ND1
|
G:HIS111
|
2.2
|
25.6
|
1.0
|
S1
|
G:AZM301
|
2.6
|
28.9
|
1.0
|
O1
|
G:AZM301
|
2.6
|
28.0
|
1.0
|
CD2
|
G:HIS92
|
3.0
|
29.6
|
1.0
|
CE1
|
G:HIS92
|
3.0
|
33.5
|
1.0
|
CD2
|
G:HIS94
|
3.1
|
29.1
|
1.0
|
CE1
|
G:HIS111
|
3.2
|
26.5
|
1.0
|
CE1
|
G:HIS94
|
3.2
|
29.8
|
1.0
|
CG
|
G:HIS111
|
3.2
|
25.8
|
1.0
|
CB
|
G:HIS111
|
3.6
|
25.3
|
1.0
|
O2
|
G:AZM301
|
3.8
|
26.3
|
1.0
|
C1
|
G:AZM301
|
3.9
|
31.2
|
1.0
|
OG1
|
G:THR177
|
3.9
|
21.6
|
1.0
|
OE1
|
G:GLU98
|
3.9
|
31.0
|
1.0
|
ND1
|
G:HIS92
|
4.1
|
31.6
|
1.0
|
CG
|
G:HIS92
|
4.1
|
29.6
|
1.0
|
CG
|
G:HIS94
|
4.3
|
28.6
|
1.0
|
ND1
|
G:HIS94
|
4.3
|
29.0
|
1.0
|
NE2
|
G:HIS111
|
4.4
|
25.7
|
1.0
|
CD2
|
G:HIS111
|
4.4
|
26.8
|
1.0
|
N3
|
G:AZM301
|
4.5
|
29.2
|
1.0
|
|
Reference:
A.K.Marapaka,
C.Das,
D.P.Flaherty.
Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide To Be Published.
Page generated: Fri Jul 28 06:49:08 2023
|