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Mercury in PDB 6gm9: Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide, PDB code: 6gm9 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) 23.79 / 1.09
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.365, 41.472, 72.273, 90.00, 104.66, 90.00
R / Rfree (%) 10.3 / 11.8

Other elements in 6gm9:

The structure of Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide (pdb code 6gm9). 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 4-Methylbenzenesulfonamide, PDB code: 6gm9:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 6gm9

Go back to Mercury Binding Sites List in 6gm9
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide


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-Methylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg302

b:7.6
occ:0.16
HG A:MBO307 1.3 9.7 0.8
SG A:CYS206 1.3 8.3 0.8
HB3 A:CYS206 2.0 7.5 0.2
SG A:CYS206 2.5 6.7 0.2
O A:HOH544 2.5 15.7 1.0
CB A:CYS206 2.6 6.3 0.2
CB A:CYS206 2.8 6.9 0.8
HB3 A:CYS206 3.1 8.3 0.8
O A:VAL135 3.1 10.8 1.0
O A:GLN137 3.2 7.4 1.0
CE1 A:MBO307 3.3 10.8 0.8
HB3 A:LEU204 3.3 9.0 1.0
HB2 A:CYS206 3.3 7.5 0.2
HA A:CYS206 3.3 6.8 0.8
H A:GLN137 3.4 9.6 0.5
H A:GLN137 3.4 9.6 0.5
CA A:CYS206 3.5 5.7 0.8
CA A:CYS206 3.5 6.2 0.2
HA A:VAL135 3.5 11.2 1.0
C A:VAL135 3.5 9.0 1.0
HB2 A:CYS206 3.5 8.3 0.8
HA A:CYS206 3.6 7.4 0.2
N A:CYS206 3.6 6.2 0.2
N A:GLN137 3.7 8.0 1.0
N A:CYS206 3.7 5.9 0.8
C A:GLU205 3.8 6.6 1.0
O A:GLU205 3.8 8.0 1.0
HA A:GLN136 3.9 11.7 1.0
O A:HOH575 3.9 13.6 1.0
C A:GLN137 3.9 7.4 1.0
H A:GLU205 4.0 7.7 1.0
H A:CYS206 4.0 7.5 0.2
CE2 A:MBO307 4.1 11.2 0.8
C A:GLN136 4.1 9.1 1.0
CA A:VAL135 4.1 9.4 1.0
N A:GLN136 4.1 9.0 1.0
N A:GLU205 4.2 6.4 1.0
H A:CYS206 4.2 7.1 0.8
CB A:LEU204 4.2 7.5 1.0
CA A:GLN136 4.2 9.7 1.0
CE6 A:MBO307 4.3 10.9 0.8
HA A:PRO138 4.3 10.0 0.5
HB A:VAL135 4.3 12.5 1.0
HA A:PRO138 4.3 9.9 0.6
CA A:GLN137 4.4 7.8 1.0
HB2 A:LEU204 4.4 9.0 1.0
HD13 A:LEU204 4.5 13.1 1.0
C A:LEU204 4.6 5.8 1.0
O A:ALA134 4.6 8.1 1.0
CA A:GLU205 4.6 6.5 1.0
HD22 A:LEU204 4.6 14.3 1.0
O A:HOH639 4.7 34.9 1.0
N A:PRO138 4.7 7.7 0.6
N A:PRO138 4.7 7.8 0.5
H A:GLN136 4.8 10.8 1.0
CB A:VAL135 4.8 10.4 1.0
O A:GLN136 4.8 10.2 1.0
HA A:GLN137 4.9 9.3 1.0
C A:CYS206 4.9 6.0 0.2
CA A:LEU204 4.9 6.5 1.0
C A:CYS206 4.9 5.7 0.8
CA A:PRO138 5.0 8.3 0.6
CA A:PRO138 5.0 8.3 0.5

Mercury binding site 2 out of 2 in 6gm9

Go back to Mercury Binding Sites List in 6gm9
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide


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-Methylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg307

b:9.7
occ:0.84
HG A:MBO307 0.0 9.7 0.8
HG A:HG302 1.3 7.6 0.2
CE1 A:MBO307 2.1 10.8 0.8
HB3 A:CYS206 2.2 7.5 0.2
SG A:CYS206 2.4 8.3 0.8
O A:GLN137 3.0 7.4 1.0
O A:HOH544 3.0 15.7 1.0
CE6 A:MBO307 3.0 10.9 0.8
CB A:CYS206 3.0 6.3 0.2
O A:GLU205 3.0 8.0 1.0
HA A:CYS206 3.1 6.8 0.8
CE2 A:MBO307 3.1 11.2 0.8
HA A:PRO138 3.3 10.0 0.5
HA A:CYS206 3.3 7.4 0.2
HA A:PRO138 3.3 9.9 0.6
C A:GLN137 3.4 7.4 1.0
C A:GLU205 3.4 6.6 1.0
CB A:CYS206 3.4 6.9 0.8
SG A:CYS206 3.5 6.7 0.2
CA A:CYS206 3.5 6.2 0.2
CA A:CYS206 3.5 5.7 0.8
HB3 A:CYS206 3.6 8.3 0.8
N A:CYS206 3.6 6.2 0.2
N A:CYS206 3.7 5.9 0.8
H A:GLN137 3.7 9.6 0.5
H A:GLN137 3.7 9.6 0.5
O A:HOH575 3.8 13.6 1.0
HB2 A:CYS206 3.8 7.5 0.2
N A:GLN137 3.8 8.0 1.0
N A:PRO138 3.9 7.7 0.6
N A:PRO138 3.9 7.8 0.5
H A:GLU205 4.0 7.7 1.0
CA A:PRO138 4.0 8.3 0.5
CA A:PRO138 4.0 8.3 0.6
CA A:GLN137 4.1 7.8 1.0
HB3 A:LEU204 4.2 9.0 1.0
C A:GLN136 4.2 9.1 1.0
N A:GLU205 4.2 6.4 1.0
O A:VAL135 4.2 10.8 1.0
HB2 A:CYS206 4.3 8.3 0.8
H A:CYS206 4.3 7.5 0.2
CA A:GLU205 4.3 6.5 1.0
CE5 A:MBO307 4.4 11.7 0.8
H A:CYS206 4.4 7.1 0.8
HA A:GLN136 4.4 11.7 1.0
CE3 A:MBO307 4.4 11.4 0.8
HA A:GLN137 4.5 9.3 1.0
HB2 A:GLU205 4.5 8.1 1.0
O A:HOH639 4.6 34.9 1.0
C A:VAL135 4.6 9.0 1.0
HA A:VAL135 4.7 11.2 1.0
HD3 A:PRO138 4.7 10.3 0.6
O A:GLN136 4.7 10.2 1.0
CA A:GLN136 4.7 9.7 1.0
HB3 A:PRO138 4.7 11.7 0.5
HD3 A:PRO138 4.8 10.6 0.5
HG3 A:PRO138 4.8 11.1 0.6
CD A:PRO138 4.8 8.6 0.6
C A:PRO138 4.9 7.0 0.6
O A:HOH633 4.9 29.5 1.0
CE4 A:MBO307 4.9 11.9 0.8
N A:GLN136 4.9 9.0 1.0
CB A:GLU205 4.9 6.8 1.0
C A:LEU204 5.0 5.8 1.0
CD A:PRO138 5.0 8.8 0.5
C A:CYS206 5.0 5.7 0.8
C A:CYS206 5.0 6.0 0.2
C A:PRO138 5.0 7.5 0.5

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Methylbenzenesulfonamide To Be Published.
Page generated: Sun Aug 11 07:19:31 2024

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