Mercury in PDB 6rig: Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide
Enzymatic activity of Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide
All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide:
4.2.1.1;
Protein crystallography data
The structure of Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide, PDB code: 6rig
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)
|
41.05 /
1.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
42.418,
41.490,
72.141,
90.00,
104.61,
90.00
|
R / Rfree (%)
|
11.9 /
13.6
|
Other elements in 6rig:
The structure of Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide also contains other interesting chemical elements:
Mercury Binding Sites:
The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide
(pdb code 6rig). This binding sites where shown within
5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the
Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide, PDB code: 6rig:
Jump to Mercury binding site number:
1;
2;
3;
Mercury binding site 1 out
of 3 in 6rig
Go back to
Mercury Binding Sites List in 6rig
Mercury binding site 1 out
of 3 in the Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide
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 4- Hydroxybenzenesulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg302
b:11.1
occ:0.31
|
HG
|
A:BE7304
|
1.3
|
9.3
|
0.7
|
SG
|
A:CYS206
|
1.3
|
7.6
|
0.7
|
SG
|
A:CYS206
|
2.3
|
8.6
|
0.3
|
O
|
A:HOH553
|
2.5
|
24.9
|
1.0
|
CB
|
A:CYS206
|
2.8
|
7.9
|
0.7
|
HB3
|
A:CYS206
|
2.8
|
10.9
|
0.3
|
CB
|
A:CYS206
|
3.0
|
9.1
|
0.3
|
HB3
|
A:CYS206
|
3.0
|
9.4
|
0.7
|
O
|
A:VAL135
|
3.1
|
11.1
|
1.0
|
O
|
A:GLN137
|
3.2
|
8.4
|
1.0
|
HB3
|
A:LEU204
|
3.3
|
9.8
|
1.0
|
HA
|
A:CYS206
|
3.3
|
9.3
|
0.3
|
HA
|
A:CYS206
|
3.3
|
7.3
|
0.7
|
H
|
A:GLN137
|
3.4
|
10.1
|
1.0
|
C5
|
A:BE7304
|
3.4
|
9.5
|
0.7
|
HB2
|
A:CYS206
|
3.5
|
9.4
|
0.7
|
CA
|
A:CYS206
|
3.5
|
6.1
|
0.7
|
CA
|
A:CYS206
|
3.5
|
7.8
|
0.3
|
C
|
A:VAL135
|
3.5
|
9.0
|
1.0
|
HA
|
A:VAL135
|
3.6
|
10.9
|
1.0
|
N
|
A:CYS206
|
3.6
|
7.5
|
0.3
|
N
|
A:GLN137
|
3.7
|
8.4
|
1.0
|
N
|
A:CYS206
|
3.7
|
6.1
|
0.7
|
C
|
A:GLU205
|
3.8
|
7.1
|
1.0
|
O
|
A:GLU205
|
3.8
|
8.9
|
1.0
|
C
|
A:GLN137
|
3.8
|
8.2
|
1.0
|
O
|
A:HOH548
|
3.9
|
16.1
|
1.0
|
HB2
|
A:CYS206
|
3.9
|
10.9
|
0.3
|
H
|
A:GLU205
|
3.9
|
8.5
|
1.0
|
HA
|
A:GLN136
|
3.9
|
11.8
|
1.0
|
H
|
A:CYS206
|
4.0
|
9.0
|
0.3
|
C
|
A:GLN136
|
4.1
|
9.5
|
1.0
|
CA
|
A:VAL135
|
4.1
|
9.1
|
1.0
|
C6
|
A:BE7304
|
4.1
|
10.1
|
0.7
|
N
|
A:GLU205
|
4.1
|
7.1
|
1.0
|
N
|
A:GLN136
|
4.1
|
9.4
|
1.0
|
CB
|
A:LEU204
|
4.2
|
8.2
|
1.0
|
H
|
A:CYS206
|
4.2
|
7.3
|
0.7
|
HA
|
A:PRO138
|
4.2
|
11.1
|
0.5
|
CA
|
A:GLN136
|
4.3
|
9.9
|
1.0
|
HA
|
A:PRO138
|
4.3
|
9.9
|
0.5
|
C4
|
A:BE7304
|
4.3
|
10.4
|
0.7
|
HB
|
A:VAL135
|
4.3
|
12.3
|
1.0
|
CA
|
A:GLN137
|
4.4
|
8.4
|
1.0
|
HB2
|
A:LEU204
|
4.4
|
9.8
|
1.0
|
HD13
|
A:LEU204
|
4.5
|
14.4
|
1.0
|
C
|
A:LEU204
|
4.5
|
6.7
|
1.0
|
CA
|
A:GLU205
|
4.6
|
7.0
|
1.0
|
O
|
A:ALA134
|
4.6
|
8.5
|
1.0
|
N
|
A:PRO138
|
4.7
|
8.0
|
0.5
|
HD22
|
A:LEU204
|
4.7
|
14.8
|
1.0
|
N
|
A:PRO138
|
4.7
|
9.0
|
0.5
|
H
|
A:GLN136
|
4.8
|
11.3
|
1.0
|
CB
|
A:VAL135
|
4.8
|
10.3
|
1.0
|
O
|
A:GLN136
|
4.8
|
10.2
|
1.0
|
HA
|
A:GLN137
|
4.8
|
10.0
|
1.0
|
CA
|
A:LEU204
|
4.9
|
7.6
|
1.0
|
C
|
A:CYS206
|
4.9
|
6.6
|
0.7
|
CA
|
A:PRO138
|
4.9
|
9.2
|
0.5
|
O
|
A:HOH463
|
4.9
|
32.3
|
1.0
|
CA
|
A:PRO138
|
4.9
|
8.2
|
0.5
|
C
|
A:CYS206
|
5.0
|
7.2
|
0.3
|
|
Mercury binding site 2 out
of 3 in 6rig
Go back to
Mercury Binding Sites List in 6rig
Mercury binding site 2 out
of 3 in the Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide
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 4- Hydroxybenzenesulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg303
b:10.1
occ:0.18
|
CD2
|
A:HIS64
|
1.3
|
16.9
|
0.4
|
HD2
|
A:HIS64
|
1.4
|
20.2
|
0.4
|
NE2
|
A:HIS64
|
1.6
|
16.2
|
0.4
|
ND1
|
A:HIS64
|
2.1
|
12.7
|
0.6
|
CG
|
A:HIS64
|
2.4
|
15.8
|
0.4
|
CE1
|
A:HIS64
|
2.6
|
13.8
|
0.4
|
O
|
A:ASN62
|
2.9
|
11.1
|
1.0
|
ND1
|
A:HIS64
|
2.9
|
16.1
|
0.4
|
CE1
|
A:HIS64
|
3.0
|
13.2
|
0.6
|
HE1
|
A:HIS64
|
3.1
|
15.8
|
0.6
|
HB3
|
A:HIS64
|
3.2
|
13.7
|
0.6
|
CG
|
A:HIS64
|
3.2
|
10.9
|
0.6
|
HE1
|
A:HIS64
|
3.4
|
16.6
|
0.4
|
CB
|
A:HIS64
|
3.5
|
12.8
|
0.4
|
HE1
|
A:HIS4
|
3.6
|
37.2
|
1.0
|
HB2
|
A:HIS64
|
3.6
|
15.3
|
0.4
|
HA3
|
A:GLY63
|
3.6
|
12.5
|
1.0
|
N
|
A:HIS64
|
3.6
|
9.6
|
0.6
|
H
|
A:HIS64
|
3.6
|
11.5
|
0.6
|
N
|
A:HIS64
|
3.6
|
10.3
|
0.4
|
CB
|
A:HIS64
|
3.6
|
11.4
|
0.6
|
H
|
A:HIS64
|
3.7
|
12.4
|
0.4
|
C
|
A:GLY63
|
3.7
|
9.9
|
1.0
|
HD1
|
A:HIS64
|
3.7
|
19.3
|
0.4
|
C
|
A:ASN62
|
3.9
|
10.0
|
1.0
|
CA
|
A:GLY63
|
4.0
|
10.4
|
1.0
|
O
|
A:GLY63
|
4.1
|
11.9
|
1.0
|
CE1
|
A:HIS4
|
4.1
|
31.0
|
1.0
|
CA
|
A:HIS64
|
4.2
|
11.1
|
0.4
|
HZ2
|
A:TRP5
|
4.2
|
14.0
|
1.0
|
NE2
|
A:HIS64
|
4.2
|
13.6
|
0.6
|
CA
|
A:HIS64
|
4.2
|
10.1
|
0.6
|
HB3
|
A:HIS64
|
4.3
|
15.3
|
0.4
|
CD2
|
A:HIS64
|
4.3
|
12.2
|
0.6
|
CZ2
|
A:TRP5
|
4.4
|
11.7
|
1.0
|
OD1
|
A:ASN62
|
4.4
|
9.4
|
1.0
|
N
|
A:GLY63
|
4.4
|
9.6
|
1.0
|
HB2
|
A:ASN62
|
4.5
|
12.7
|
1.0
|
HA
|
A:HIS64
|
4.5
|
13.3
|
0.4
|
HB2
|
A:HIS64
|
4.5
|
13.7
|
0.6
|
HA
|
A:HIS64
|
4.6
|
12.1
|
0.6
|
CH2
|
A:TRP5
|
4.7
|
11.4
|
1.0
|
HH2
|
A:TRP5
|
4.7
|
13.6
|
1.0
|
HE2
|
A:HIS4
|
4.7
|
37.5
|
1.0
|
NE2
|
A:HIS4
|
4.7
|
31.2
|
1.0
|
CG
|
A:ASN62
|
4.8
|
9.9
|
1.0
|
O
|
A:HOH403
|
4.8
|
20.6
|
1.0
|
CE2
|
A:TRP5
|
4.9
|
10.6
|
1.0
|
ND1
|
A:HIS4
|
4.9
|
30.1
|
1.0
|
HE2
|
A:HIS64
|
4.9
|
16.3
|
0.6
|
HA2
|
A:GLY63
|
4.9
|
12.5
|
1.0
|
CB
|
A:ASN62
|
5.0
|
10.6
|
1.0
|
HD1
|
A:HIS4
|
5.0
|
36.2
|
1.0
|
|
Mercury binding site 3 out
of 3 in 6rig
Go back to
Mercury Binding Sites List in 6rig
Mercury binding site 3 out
of 3 in the Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide
Mono view
Stereo pair view
|
A full contact list of Mercury with other atoms in the Hg binding
site number 3 of Human Carbonic Anhydrase II in Complex with 4- Hydroxybenzenesulfonamide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Hg304
b:9.3
occ:0.69
|
HG
|
A:BE7304
|
0.0
|
9.3
|
0.7
|
HG
|
A:HG302
|
1.3
|
11.1
|
0.3
|
C5
|
A:BE7304
|
2.2
|
9.5
|
0.7
|
SG
|
A:CYS206
|
2.4
|
7.6
|
0.7
|
O
|
A:HOH553
|
2.9
|
24.9
|
1.0
|
O
|
A:GLN137
|
3.0
|
8.4
|
1.0
|
HA
|
A:CYS206
|
3.0
|
9.3
|
0.3
|
O
|
A:GLU205
|
3.0
|
8.9
|
1.0
|
HA
|
A:CYS206
|
3.0
|
7.3
|
0.7
|
C4
|
A:BE7304
|
3.1
|
10.4
|
0.7
|
C6
|
A:BE7304
|
3.1
|
10.1
|
0.7
|
HA
|
A:PRO138
|
3.2
|
11.1
|
0.5
|
HA
|
A:PRO138
|
3.3
|
9.9
|
0.5
|
HB3
|
A:CYS206
|
3.3
|
10.9
|
0.3
|
SG
|
A:CYS206
|
3.3
|
8.6
|
0.3
|
CB
|
A:CYS206
|
3.3
|
7.9
|
0.7
|
C
|
A:GLN137
|
3.4
|
8.2
|
1.0
|
C
|
A:GLU205
|
3.4
|
7.1
|
1.0
|
HB3
|
A:CYS206
|
3.5
|
9.4
|
0.7
|
CB
|
A:CYS206
|
3.5
|
9.1
|
0.3
|
CA
|
A:CYS206
|
3.5
|
6.1
|
0.7
|
CA
|
A:CYS206
|
3.5
|
7.8
|
0.3
|
N
|
A:CYS206
|
3.6
|
7.5
|
0.3
|
N
|
A:CYS206
|
3.7
|
6.1
|
0.7
|
H
|
A:GLN137
|
3.7
|
10.1
|
1.0
|
O
|
A:HOH548
|
3.8
|
16.1
|
1.0
|
N
|
A:GLN137
|
3.8
|
8.4
|
1.0
|
N
|
A:PRO138
|
3.9
|
8.0
|
0.5
|
N
|
A:PRO138
|
3.9
|
9.0
|
0.5
|
H
|
A:GLU205
|
3.9
|
8.5
|
1.0
|
CA
|
A:PRO138
|
4.0
|
9.2
|
0.5
|
CA
|
A:PRO138
|
4.0
|
8.2
|
0.5
|
CA
|
A:GLN137
|
4.1
|
8.4
|
1.0
|
HB3
|
A:LEU204
|
4.2
|
9.8
|
1.0
|
N
|
A:GLU205
|
4.2
|
7.1
|
1.0
|
O
|
A:VAL135
|
4.2
|
11.1
|
1.0
|
HB2
|
A:CYS206
|
4.2
|
9.4
|
0.7
|
C
|
A:GLN136
|
4.2
|
9.5
|
1.0
|
H
|
A:CYS206
|
4.2
|
9.0
|
0.3
|
CA
|
A:GLU205
|
4.3
|
7.0
|
1.0
|
C3
|
A:BE7304
|
4.4
|
11.2
|
0.7
|
H
|
A:CYS206
|
4.4
|
7.3
|
0.7
|
C7
|
A:BE7304
|
4.4
|
11.0
|
0.7
|
HA
|
A:GLN137
|
4.4
|
10.0
|
1.0
|
HB2
|
A:GLU205
|
4.5
|
9.5
|
1.0
|
HA
|
A:GLN136
|
4.5
|
11.8
|
1.0
|
HB2
|
A:CYS206
|
4.5
|
10.9
|
0.3
|
C
|
A:VAL135
|
4.6
|
9.0
|
1.0
|
HD3
|
A:PRO138
|
4.6
|
10.4
|
0.5
|
O
|
A:GLN136
|
4.7
|
10.2
|
1.0
|
HA
|
A:VAL135
|
4.7
|
10.9
|
1.0
|
HB3
|
A:PRO138
|
4.7
|
13.2
|
0.5
|
CA
|
A:GLN136
|
4.8
|
9.9
|
1.0
|
HD3
|
A:PRO138
|
4.8
|
12.6
|
0.5
|
CD
|
A:PRO138
|
4.8
|
8.7
|
0.5
|
C
|
A:PRO138
|
4.8
|
7.9
|
0.5
|
HG3
|
A:PRO138
|
4.9
|
11.3
|
0.5
|
CB
|
A:GLU205
|
4.9
|
8.0
|
1.0
|
C
|
A:LEU204
|
4.9
|
6.7
|
1.0
|
C2
|
A:BE7304
|
4.9
|
11.6
|
0.7
|
N
|
A:GLN136
|
5.0
|
9.4
|
1.0
|
C
|
A:PRO138
|
5.0
|
8.5
|
0.5
|
CD
|
A:PRO138
|
5.0
|
10.5
|
0.5
|
C
|
A:CYS206
|
5.0
|
6.6
|
0.7
|
CB
|
A:PRO138
|
5.0
|
11.0
|
0.5
|
C
|
A:CYS206
|
5.0
|
7.2
|
0.3
|
|
Reference:
S.Gloeckner,
A.Heine,
G.Klebe.
Human Carbonic Anhydrase II in Complex with 4-Hydroxybenzenesulfonamide To Be Published.
Page generated: Sun Aug 11 07:37:12 2024
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