Zinc in PDB 7pp9: Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide
Enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide
All present enzymatic activity of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide:
4.2.1.1;
Protein crystallography data
The structure of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide, PDB code: 7pp9
was solved by
J.Leitans,
K.Tars,
E.Dvinskis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
74.86 /
2.34
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
45.822,
74.862,
76.439,
90,
105.46,
90.02
|
R / Rfree (%)
|
16.1 /
24.8
|
Other elements in 7pp9:
The structure of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide
(pdb code 7pp9). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide, PDB code: 7pp9:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 7pp9
Go back to
Zinc Binding Sites List in 7pp9
Zinc binding site 1 out
of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn301
b:12.1
occ:1.00
|
N1
|
A:7VZ302
|
1.9
|
12.9
|
1.0
|
NE2
|
A:HIS94
|
2.1
|
11.8
|
1.0
|
ND1
|
A:HIS119
|
2.1
|
8.1
|
1.0
|
NE2
|
A:HIS96
|
2.1
|
11.5
|
1.0
|
CE1
|
A:HIS96
|
2.9
|
11.4
|
1.0
|
CD2
|
A:HIS94
|
2.9
|
11.7
|
1.0
|
CE1
|
A:HIS119
|
3.0
|
8.0
|
1.0
|
S4
|
A:7VZ302
|
3.0
|
13.8
|
1.0
|
CG
|
A:HIS119
|
3.2
|
8.3
|
1.0
|
CE1
|
A:HIS94
|
3.2
|
12.3
|
1.0
|
CD2
|
A:HIS96
|
3.3
|
11.3
|
1.0
|
O5
|
A:7VZ302
|
3.3
|
12.8
|
1.0
|
C12
|
A:7VZ302
|
3.3
|
17.1
|
1.0
|
C7
|
A:7VZ302
|
3.5
|
16.4
|
1.0
|
CB
|
A:HIS119
|
3.5
|
9.0
|
1.0
|
OE1
|
A:GLU106
|
3.8
|
9.1
|
1.0
|
OG1
|
A:THR199
|
3.9
|
7.3
|
1.0
|
ND1
|
A:HIS96
|
4.1
|
11.5
|
1.0
|
CG
|
A:HIS94
|
4.1
|
12.0
|
1.0
|
NE2
|
A:HIS119
|
4.2
|
7.8
|
1.0
|
ND1
|
A:HIS94
|
4.2
|
12.5
|
1.0
|
CD2
|
A:HIS119
|
4.2
|
8.0
|
1.0
|
CG
|
A:HIS96
|
4.3
|
11.2
|
1.0
|
O6
|
A:7VZ302
|
4.3
|
13.2
|
1.0
|
C11
|
A:7VZ302
|
4.5
|
18.1
|
1.0
|
O16
|
A:7VZ302
|
4.8
|
15.5
|
1.0
|
CD
|
A:GLU106
|
4.8
|
8.9
|
1.0
|
C8
|
A:7VZ302
|
4.9
|
18.4
|
1.0
|
CA
|
A:HIS119
|
5.0
|
9.5
|
1.0
|
|
Zinc binding site 2 out
of 4 in 7pp9
Go back to
Zinc Binding Sites List in 7pp9
Zinc binding site 2 out
of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn301
b:12.2
occ:1.00
|
N1
|
B:7VZ302
|
1.9
|
14.6
|
1.0
|
NE2
|
B:HIS96
|
2.0
|
7.7
|
1.0
|
NE2
|
B:HIS94
|
2.1
|
7.1
|
1.0
|
ND1
|
B:HIS119
|
2.2
|
5.9
|
1.0
|
CD2
|
B:HIS94
|
3.0
|
7.5
|
1.0
|
CE1
|
B:HIS96
|
3.0
|
7.3
|
1.0
|
CD2
|
B:HIS96
|
3.0
|
8.1
|
1.0
|
CE1
|
B:HIS119
|
3.1
|
6.0
|
1.0
|
S4
|
B:7VZ302
|
3.1
|
15.7
|
1.0
|
CE1
|
B:HIS94
|
3.2
|
7.3
|
1.0
|
CG
|
B:HIS119
|
3.2
|
6.0
|
1.0
|
O5
|
B:7VZ302
|
3.2
|
14.1
|
1.0
|
C12
|
B:7VZ302
|
3.3
|
23.6
|
1.0
|
CB
|
B:HIS119
|
3.5
|
6.0
|
1.0
|
C7
|
B:7VZ302
|
3.5
|
19.1
|
1.0
|
OE1
|
B:GLU106
|
3.9
|
7.5
|
1.0
|
OG1
|
B:THR199
|
4.0
|
8.5
|
1.0
|
ND1
|
B:HIS96
|
4.1
|
8.0
|
1.0
|
CG
|
B:HIS94
|
4.2
|
7.8
|
1.0
|
CG
|
B:HIS96
|
4.2
|
7.9
|
1.0
|
ND1
|
B:HIS94
|
4.2
|
7.4
|
1.0
|
NE2
|
B:HIS119
|
4.2
|
6.1
|
1.0
|
C11
|
B:7VZ302
|
4.3
|
23.9
|
1.0
|
CD2
|
B:HIS119
|
4.3
|
6.1
|
1.0
|
O6
|
B:7VZ302
|
4.3
|
15.1
|
1.0
|
O16
|
B:7VZ302
|
4.7
|
17.9
|
1.0
|
C8
|
B:7VZ302
|
4.7
|
23.9
|
1.0
|
C14
|
B:7VZ302
|
4.8
|
21.0
|
1.0
|
CD
|
B:GLU106
|
4.9
|
7.7
|
1.0
|
CA
|
B:HIS119
|
5.0
|
6.1
|
1.0
|
|
Zinc binding site 3 out
of 4 in 7pp9
Go back to
Zinc Binding Sites List in 7pp9
Zinc binding site 3 out
of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn301
b:10.7
occ:1.00
|
NE2
|
C:HIS96
|
2.0
|
7.8
|
1.0
|
N1
|
C:7VZ302
|
2.1
|
16.0
|
1.0
|
ND1
|
C:HIS119
|
2.1
|
7.4
|
1.0
|
NE2
|
C:HIS94
|
2.1
|
8.6
|
1.0
|
CE1
|
C:HIS96
|
2.9
|
7.7
|
1.0
|
CE1
|
C:HIS119
|
3.0
|
7.5
|
1.0
|
CD2
|
C:HIS94
|
3.1
|
8.6
|
1.0
|
CG
|
C:HIS119
|
3.1
|
7.5
|
1.0
|
CD2
|
C:HIS96
|
3.1
|
7.7
|
1.0
|
CE1
|
C:HIS94
|
3.1
|
8.9
|
1.0
|
S4
|
C:7VZ302
|
3.2
|
16.2
|
1.0
|
C12
|
C:7VZ302
|
3.3
|
22.1
|
1.0
|
O6
|
C:7VZ302
|
3.4
|
13.7
|
1.0
|
CB
|
C:HIS119
|
3.4
|
7.5
|
1.0
|
C7
|
C:7VZ302
|
3.6
|
19.5
|
1.0
|
OE1
|
C:GLU106
|
3.7
|
7.3
|
1.0
|
OG1
|
C:THR199
|
4.0
|
8.8
|
1.0
|
ND1
|
C:HIS96
|
4.0
|
7.6
|
1.0
|
NE2
|
C:HIS119
|
4.2
|
7.6
|
1.0
|
CG
|
C:HIS96
|
4.2
|
7.5
|
1.0
|
CD2
|
C:HIS119
|
4.2
|
7.5
|
1.0
|
CG
|
C:HIS94
|
4.2
|
8.5
|
1.0
|
ND1
|
C:HIS94
|
4.2
|
8.6
|
1.0
|
C11
|
C:7VZ302
|
4.3
|
24.6
|
1.0
|
O16
|
C:7VZ302
|
4.4
|
22.3
|
1.0
|
O5
|
C:7VZ302
|
4.4
|
16.2
|
1.0
|
C8
|
C:7VZ302
|
4.8
|
21.3
|
1.0
|
C14
|
C:7VZ302
|
4.8
|
22.1
|
1.0
|
CD
|
C:GLU106
|
4.8
|
7.6
|
1.0
|
CA
|
C:HIS119
|
4.9
|
7.5
|
1.0
|
|
Zinc binding site 4 out
of 4 in 7pp9
Go back to
Zinc Binding Sites List in 7pp9
Zinc binding site 4 out
of 4 in the Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn301
b:13.6
occ:1.00
|
N1
|
D:7VZ302
|
1.9
|
17.2
|
1.0
|
NE2
|
D:HIS94
|
2.0
|
13.5
|
1.0
|
NE2
|
D:HIS96
|
2.1
|
12.3
|
1.0
|
ND1
|
D:HIS119
|
2.2
|
9.4
|
1.0
|
CE1
|
D:HIS96
|
2.9
|
12.0
|
1.0
|
S4
|
D:7VZ302
|
3.0
|
17.3
|
1.0
|
CD2
|
D:HIS94
|
3.0
|
12.8
|
1.0
|
CE1
|
D:HIS94
|
3.0
|
12.9
|
1.0
|
CE1
|
D:HIS119
|
3.0
|
9.6
|
1.0
|
CD2
|
D:HIS96
|
3.3
|
11.6
|
1.0
|
CG
|
D:HIS119
|
3.3
|
9.8
|
1.0
|
C12
|
D:7VZ302
|
3.3
|
22.5
|
1.0
|
O6
|
D:7VZ302
|
3.3
|
16.3
|
1.0
|
C7
|
D:7VZ302
|
3.5
|
19.9
|
1.0
|
CB
|
D:HIS119
|
3.7
|
10.0
|
1.0
|
OE1
|
D:GLU106
|
3.7
|
8.9
|
1.0
|
OG1
|
D:THR199
|
4.0
|
7.2
|
1.0
|
ND1
|
D:HIS96
|
4.1
|
12.3
|
1.0
|
ND1
|
D:HIS94
|
4.1
|
13.2
|
1.0
|
CG
|
D:HIS94
|
4.2
|
12.8
|
1.0
|
NE2
|
D:HIS119
|
4.2
|
9.6
|
1.0
|
O5
|
D:7VZ302
|
4.3
|
16.9
|
1.0
|
CG
|
D:HIS96
|
4.3
|
11.7
|
1.0
|
CD2
|
D:HIS119
|
4.3
|
9.8
|
1.0
|
C11
|
D:7VZ302
|
4.4
|
23.3
|
1.0
|
O16
|
D:7VZ302
|
4.7
|
21.7
|
1.0
|
CD
|
D:GLU106
|
4.7
|
8.9
|
1.0
|
C8
|
D:7VZ302
|
4.8
|
23.3
|
1.0
|
C14
|
D:7VZ302
|
5.0
|
22.3
|
1.0
|
|
Reference:
J.Leitans,
K.Tars,
E.Dvinskis.
Three Dimensional Structure of Human Carbonic Anhydrase XII in Complex with Sulfonamide To Be Published.
Page generated: Wed Oct 30 09:17:46 2024
|