Mercury in PDB 6gdc: Human Carbonic Anhydrase II in Complex with Benzenesulfonamide
Enzymatic activity of Human Carbonic Anhydrase II in Complex with Benzenesulfonamide
All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Benzenesulfonamide:
4.2.1.1;
Protein crystallography data
The structure of Human Carbonic Anhydrase II in Complex with Benzenesulfonamide, PDB code: 6gdc
was solved by
S.Gloeckner,
A.Heine,
G.Klebe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
23.29 /
1.08
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
42.320,
41.432,
72.163,
90.00,
104.50,
90.00
|
R / Rfree (%)
|
11.5 /
13
|
Other elements in 6gdc:
The structure of Human Carbonic Anhydrase II in Complex with Benzenesulfonamide also contains other interesting chemical elements:
Mercury Binding Sites:
The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with Benzenesulfonamide
(pdb code 6gdc). This binding sites where shown within
5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the
Human Carbonic Anhydrase II in Complex with Benzenesulfonamide, PDB code: 6gdc:
Jump to Mercury binding site number:
1;
2;
Mercury binding site 1 out
of 2 in 6gdc
Go back to
Mercury Binding Sites List in 6gdc
Mercury binding site 1 out
of 2 in the Human Carbonic Anhydrase II in Complex with Benzenesulfonamide
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 1 of Human Carbonic Anhydrase II in Complex with Benzenesulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg302
b:9.4
occ:0.25
|
HG
|
A:MBO303
|
1.3
|
10.8
|
0.8
|
SG
|
A:CYS206
|
1.3
|
9.3
|
0.8
|
HB3
|
A:CYS206
|
2.2
|
9.8
|
0.2
|
SG
|
A:CYS206
|
2.4
|
8.1
|
0.2
|
O
|
A:HOH533
|
2.5
|
25.1
|
1.0
|
CB
|
A:CYS206
|
2.7
|
8.2
|
0.2
|
CB
|
A:CYS206
|
2.9
|
8.0
|
0.8
|
O
|
A:VAL135
|
3.1
|
11.7
|
1.0
|
HB3
|
A:CYS206
|
3.1
|
9.6
|
0.8
|
O
|
A:GLN137
|
3.2
|
8.5
|
1.0
|
CE1
|
A:MBO303
|
3.2
|
11.1
|
0.8
|
H
|
A:GLN137
|
3.3
|
11.1
|
0.5
|
HB3
|
A:LEU204
|
3.3
|
10.4
|
1.0
|
HA
|
A:CYS206
|
3.3
|
8.2
|
0.8
|
H
|
A:GLN137
|
3.4
|
11.1
|
0.5
|
HB2
|
A:CYS206
|
3.5
|
9.8
|
0.2
|
CA
|
A:CYS206
|
3.5
|
6.8
|
0.8
|
CA
|
A:CYS206
|
3.5
|
7.7
|
0.2
|
C
|
A:VAL135
|
3.5
|
10.2
|
1.0
|
HA
|
A:VAL135
|
3.6
|
12.1
|
1.0
|
HB2
|
A:CYS206
|
3.6
|
9.6
|
0.8
|
HA
|
A:CYS206
|
3.6
|
9.2
|
0.2
|
N
|
A:CYS206
|
3.7
|
7.5
|
0.2
|
N
|
A:GLN137
|
3.7
|
9.2
|
1.0
|
N
|
A:CYS206
|
3.7
|
6.9
|
0.8
|
C
|
A:GLU205
|
3.8
|
7.5
|
1.0
|
O
|
A:GLU205
|
3.8
|
8.8
|
1.0
|
C
|
A:GLN137
|
3.8
|
8.5
|
1.0
|
HA
|
A:GLN136
|
3.9
|
13.6
|
0.5
|
HA
|
A:GLN136
|
3.9
|
13.1
|
0.5
|
O
|
A:HOH562
|
3.9
|
16.0
|
1.0
|
C
|
A:GLN136
|
4.0
|
10.5
|
0.5
|
H
|
A:GLU205
|
4.0
|
8.8
|
1.0
|
CE2
|
A:MBO303
|
4.0
|
12.5
|
0.8
|
H
|
A:CYS206
|
4.1
|
9.1
|
0.2
|
CA
|
A:VAL135
|
4.1
|
10.1
|
1.0
|
N
|
A:GLN136
|
4.1
|
10.3
|
0.5
|
C
|
A:GLN136
|
4.1
|
9.8
|
0.5
|
N
|
A:GLN136
|
4.1
|
10.2
|
0.5
|
N
|
A:GLU205
|
4.2
|
7.4
|
1.0
|
CA
|
A:GLN136
|
4.2
|
11.3
|
0.5
|
CB
|
A:LEU204
|
4.2
|
8.7
|
1.0
|
CE6
|
A:MBO303
|
4.2
|
12.0
|
0.8
|
CA
|
A:GLN136
|
4.2
|
10.9
|
0.5
|
HA
|
A:PRO138
|
4.3
|
11.0
|
0.4
|
H
|
A:CYS206
|
4.3
|
8.3
|
0.8
|
HA
|
A:PRO138
|
4.3
|
11.1
|
0.6
|
CA
|
A:GLN137
|
4.4
|
8.5
|
1.0
|
HB
|
A:VAL135
|
4.4
|
13.9
|
1.0
|
O
|
A:HOH603
|
4.4
|
42.6
|
1.0
|
HD13
|
A:LEU204
|
4.4
|
14.4
|
1.0
|
HB2
|
A:LEU204
|
4.4
|
10.4
|
1.0
|
C
|
A:LEU204
|
4.6
|
7.2
|
1.0
|
CA
|
A:GLU205
|
4.6
|
7.6
|
1.0
|
O
|
A:ALA134
|
4.6
|
8.9
|
1.0
|
HD22
|
A:LEU204
|
4.6
|
15.2
|
1.0
|
O
|
A:GLN136
|
4.7
|
11.0
|
0.5
|
N
|
A:PRO138
|
4.7
|
8.8
|
0.6
|
N
|
A:PRO138
|
4.7
|
8.9
|
0.4
|
H
|
A:GLN136
|
4.8
|
12.4
|
0.5
|
H
|
A:GLN136
|
4.8
|
12.2
|
0.5
|
CB
|
A:VAL135
|
4.8
|
11.6
|
1.0
|
HA
|
A:GLN137
|
4.8
|
10.2
|
1.0
|
O
|
A:HOH458
|
4.9
|
33.4
|
1.0
|
CA
|
A:LEU204
|
4.9
|
7.7
|
1.0
|
CA
|
A:PRO138
|
4.9
|
9.2
|
0.6
|
CA
|
A:PRO138
|
4.9
|
9.2
|
0.4
|
O
|
A:GLN136
|
4.9
|
9.6
|
0.5
|
C
|
A:CYS206
|
4.9
|
7.2
|
0.2
|
C
|
A:CYS206
|
5.0
|
6.9
|
0.8
|
|
Mercury binding site 2 out
of 2 in 6gdc
Go back to
Mercury Binding Sites List in 6gdc
Mercury binding site 2 out
of 2 in the Human Carbonic Anhydrase II in Complex with Benzenesulfonamide
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 2 of Human Carbonic Anhydrase II in Complex with Benzenesulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg303
b:10.8
occ:0.75
|
HG
|
A:MBO303
|
0.0
|
10.8
|
0.8
|
HG
|
A:HG302
|
1.3
|
9.4
|
0.2
|
CE1
|
A:MBO303
|
2.0
|
11.1
|
0.8
|
SG
|
A:CYS206
|
2.4
|
9.3
|
0.8
|
HB3
|
A:CYS206
|
2.5
|
9.8
|
0.2
|
O
|
A:HOH533
|
2.9
|
25.1
|
1.0
|
O
|
A:GLN137
|
3.0
|
8.5
|
1.0
|
CE6
|
A:MBO303
|
3.0
|
12.0
|
0.8
|
O
|
A:GLU205
|
3.0
|
8.8
|
1.0
|
CE2
|
A:MBO303
|
3.1
|
12.5
|
0.8
|
HA
|
A:CYS206
|
3.1
|
8.2
|
0.8
|
CB
|
A:CYS206
|
3.1
|
8.2
|
0.2
|
HA
|
A:PRO138
|
3.2
|
11.0
|
0.4
|
HA
|
A:CYS206
|
3.3
|
9.2
|
0.2
|
HA
|
A:PRO138
|
3.3
|
11.1
|
0.6
|
C
|
A:GLN137
|
3.4
|
8.5
|
1.0
|
C
|
A:GLU205
|
3.4
|
7.5
|
1.0
|
SG
|
A:CYS206
|
3.4
|
8.1
|
0.2
|
CB
|
A:CYS206
|
3.4
|
8.0
|
0.8
|
CA
|
A:CYS206
|
3.5
|
7.7
|
0.2
|
CA
|
A:CYS206
|
3.6
|
6.8
|
0.8
|
H
|
A:GLN137
|
3.6
|
11.1
|
0.5
|
N
|
A:CYS206
|
3.6
|
7.5
|
0.2
|
HB3
|
A:CYS206
|
3.7
|
9.6
|
0.8
|
H
|
A:GLN137
|
3.7
|
11.1
|
0.5
|
N
|
A:CYS206
|
3.7
|
6.9
|
0.8
|
N
|
A:GLN137
|
3.8
|
9.2
|
1.0
|
O
|
A:HOH562
|
3.8
|
16.0
|
1.0
|
N
|
A:PRO138
|
3.9
|
8.8
|
0.6
|
N
|
A:PRO138
|
3.9
|
8.9
|
0.4
|
H
|
A:GLU205
|
4.0
|
8.8
|
1.0
|
CA
|
A:PRO138
|
4.0
|
9.2
|
0.4
|
CA
|
A:PRO138
|
4.0
|
9.2
|
0.6
|
HB2
|
A:CYS206
|
4.0
|
9.8
|
0.2
|
CA
|
A:GLN137
|
4.1
|
8.5
|
1.0
|
C
|
A:GLN136
|
4.1
|
10.5
|
0.5
|
HB3
|
A:LEU204
|
4.2
|
10.4
|
1.0
|
O
|
A:VAL135
|
4.2
|
11.7
|
1.0
|
N
|
A:GLU205
|
4.2
|
7.4
|
1.0
|
O
|
A:HOH603
|
4.2
|
42.6
|
1.0
|
C
|
A:GLN136
|
4.3
|
9.8
|
0.5
|
H
|
A:CYS206
|
4.3
|
9.1
|
0.2
|
HB2
|
A:CYS206
|
4.3
|
9.6
|
0.8
|
CE5
|
A:MBO303
|
4.3
|
12.8
|
0.8
|
CA
|
A:GLU205
|
4.3
|
7.6
|
1.0
|
CE3
|
A:MBO303
|
4.4
|
13.0
|
0.8
|
HA
|
A:GLN136
|
4.4
|
13.1
|
0.5
|
HA
|
A:GLN136
|
4.4
|
13.6
|
0.5
|
H
|
A:CYS206
|
4.4
|
8.3
|
0.8
|
HA
|
A:GLN137
|
4.4
|
10.2
|
1.0
|
O
|
A:GLN136
|
4.5
|
11.0
|
0.5
|
HB2
|
A:GLU205
|
4.5
|
9.3
|
1.0
|
C
|
A:VAL135
|
4.6
|
10.2
|
1.0
|
HD3
|
A:PRO138
|
4.6
|
11.6
|
0.6
|
HA
|
A:VAL135
|
4.7
|
12.1
|
1.0
|
CA
|
A:GLN136
|
4.7
|
11.3
|
0.5
|
HB3
|
A:PRO138
|
4.7
|
12.8
|
0.4
|
HD3
|
A:PRO138
|
4.7
|
12.2
|
0.4
|
CA
|
A:GLN136
|
4.8
|
10.9
|
0.5
|
O
|
A:GLN136
|
4.8
|
9.6
|
0.5
|
CD
|
A:PRO138
|
4.8
|
9.7
|
0.6
|
HG3
|
A:PRO138
|
4.8
|
12.6
|
0.6
|
C
|
A:PRO138
|
4.9
|
8.4
|
0.6
|
O
|
A:HOH601
|
4.9
|
30.7
|
1.0
|
CE4
|
A:MBO303
|
4.9
|
13.4
|
0.8
|
N
|
A:GLN136
|
4.9
|
10.3
|
0.5
|
CD
|
A:PRO138
|
4.9
|
10.2
|
0.4
|
N
|
A:GLN136
|
4.9
|
10.2
|
0.5
|
CB
|
A:GLU205
|
4.9
|
7.8
|
1.0
|
C
|
A:LEU204
|
5.0
|
7.2
|
1.0
|
C
|
A:PRO138
|
5.0
|
8.3
|
0.4
|
CB
|
A:PRO138
|
5.0
|
10.6
|
0.4
|
C
|
A:CYS206
|
5.0
|
6.9
|
0.8
|
|
Reference:
S.Gloeckner,
A.Heine,
G.Klebe.
Human Carbonic Anhydrase II in Complex with Benzenesulfonamide To Be Published.
Page generated: Sun Aug 11 07:19:09 2024
|