Atomistry » Mercury » PDB 6bzi-6rjj » 6hr3
Atomistry »
  Mercury »
    PDB 6bzi-6rjj »
      6hr3 »

Mercury in PDB 6hr3: Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide, PDB code: 6hr3 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) 34.98 / 1.02
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.270, 41.519, 72.293, 90.00, 104.59, 90.00
R / Rfree (%) 12.9 / 14.5

Other elements in 6hr3:

The structure of Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide 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-Propylbenzenesulfonamide (pdb code 6hr3). 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-Propylbenzenesulfonamide, PDB code: 6hr3:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 6hr3

Go back to Mercury Binding Sites List in 6hr3
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide


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-Propylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg303

b:10.8
occ:0.70
HG A:MBO303 0.0 10.8 0.7
HG A:HG304 1.3 13.4 0.3
CE1 A:MBO303 2.1 11.1 0.7
HB3 A:CYS206 2.3 11.1 0.1
HB3 A:CYS206 2.3 10.5 0.2
SG A:CYS206 2.4 9.2 0.7
O A:HOH533 2.9 19.6 1.0
O A:GLN137 3.0 9.9 1.0
CB A:CYS206 3.0 8.7 0.2
CE6 A:MBO303 3.0 12.1 0.7
O A:GLU205 3.0 9.9 1.0
HA A:CYS206 3.0 9.1 0.7
CE2 A:MBO303 3.1 12.6 0.7
HA A:CYS206 3.1 10.0 0.1
CB A:CYS206 3.2 9.3 0.1
HA A:PRO138 3.2 12.5 0.5
HA A:CYS206 3.2 9.9 0.2
HA A:PRO138 3.3 12.2 0.5
C A:GLN137 3.4 9.4 1.0
SG A:CYS206 3.4 8.8 0.2
C A:GLU205 3.4 8.3 1.0
CB A:CYS206 3.4 8.6 0.7
CA A:CYS206 3.5 8.3 0.2
CA A:CYS206 3.5 8.3 0.1
CA A:CYS206 3.5 7.6 0.7
HB2 A:CYS206 3.6 11.1 0.1
N A:CYS206 3.6 8.3 0.2
HB3 A:CYS206 3.6 10.4 0.7
N A:CYS206 3.7 8.2 0.1
H A:GLN137 3.7 12.4 0.5
N A:CYS206 3.7 7.8 0.7
O A:HOH565 3.8 16.9 1.0
H A:GLN137 3.8 12.4 0.5
N A:GLN137 3.8 10.3 1.0
HB2 A:CYS206 3.9 10.5 0.2
N A:PRO138 3.9 9.6 0.5
N A:PRO138 3.9 9.8 0.5
H A:GLU205 4.0 10.1 1.0
CA A:PRO138 4.0 10.4 0.5
CA A:PRO138 4.0 10.2 0.5
C A:GLN136 4.1 11.5 0.5
CA A:GLN137 4.1 9.7 1.0
HB3 A:LEU204 4.2 11.5 1.0
O A:VAL135 4.2 13.7 1.0
N A:GLU205 4.2 8.4 1.0
C A:GLN136 4.2 11.2 0.5
H A:CYS206 4.2 10.0 0.2
HB2 A:CYS206 4.3 10.4 0.7
H A:CYS206 4.3 9.9 0.1
HA A:GLN136 4.4 14.0 0.5
CA A:GLU205 4.4 8.2 1.0
HA A:GLN136 4.4 14.3 0.5
H A:CYS206 4.4 9.4 0.7
CE5 A:MBO303 4.4 12.3 0.7
CE3 A:MBO303 4.4 12.6 0.7
O A:HOH612 4.4 45.9 1.0
HA A:GLN137 4.4 11.6 1.0
O A:GLN136 4.5 12.1 0.5
SG A:CYS206 4.5 10.6 0.1
HB2 A:GLU205 4.5 10.4 1.0
C A:VAL135 4.6 10.9 1.0
HD3 A:PRO138 4.6 12.7 0.5
HB3 A:PRO138 4.7 14.1 0.5
HA A:VAL135 4.7 13.8 1.0
CA A:GLN136 4.7 11.9 0.5
CA A:GLN136 4.7 11.7 0.5
O A:GLN136 4.8 11.6 0.5
HD3 A:PRO138 4.8 13.4 0.5
CD A:PRO138 4.8 10.6 0.5
C A:PRO138 4.8 9.1 0.5
N A:GLN136 4.9 11.5 0.5
O A:HOH613 4.9 28.7 1.0
N A:GLN136 4.9 11.4 0.5
CE4 A:MBO303 4.9 12.2 0.7
HG3 A:PRO138 5.0 13.4 0.5
CD A:PRO138 5.0 11.2 0.5
C A:CYS206 5.0 7.8 0.1
CB A:PRO138 5.0 11.7 0.5
C A:CYS206 5.0 7.8 0.2
CB A:GLU205 5.0 8.7 1.0
C A:PRO138 5.0 9.6 0.5
C A:CYS206 5.0 7.7 0.7
C A:LEU204 5.0 7.9 1.0

Mercury binding site 2 out of 2 in 6hr3

Go back to Mercury Binding Sites List in 6hr3
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide


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-Propylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg304

b:13.4
occ:0.30
HG A:MBO303 1.3 10.8 0.7
SG A:CYS206 1.3 9.2 0.7
HB3 A:CYS206 1.7 11.1 0.1
HB3 A:CYS206 2.1 10.5 0.2
SG A:CYS206 2.3 8.8 0.2
O A:HOH533 2.5 19.6 1.0
CB A:CYS206 2.6 8.7 0.2
CB A:CYS206 2.7 9.3 0.1
CB A:CYS206 2.9 8.6 0.7
HB2 A:CYS206 3.1 11.1 0.1
HB3 A:CYS206 3.1 10.4 0.7
O A:VAL135 3.1 13.7 1.0
HB3 A:LEU204 3.3 11.5 1.0
O A:GLN137 3.3 9.9 1.0
CE1 A:MBO303 3.3 11.1 0.7
HA A:CYS206 3.3 9.1 0.7
HB2 A:CYS206 3.4 10.5 0.2
H A:GLN137 3.4 12.4 0.5
HA A:CYS206 3.5 10.0 0.1
CA A:CYS206 3.5 8.3 0.1
CA A:CYS206 3.5 8.3 0.2
CA A:CYS206 3.5 7.6 0.7
H A:GLN137 3.5 12.4 0.5
HB2 A:CYS206 3.6 10.4 0.7
C A:VAL135 3.6 10.9 1.0
HA A:CYS206 3.6 9.9 0.2
HA A:VAL135 3.6 13.8 1.0
N A:CYS206 3.6 8.3 0.2
SG A:CYS206 3.6 10.6 0.1
N A:CYS206 3.7 8.2 0.1
N A:CYS206 3.7 7.8 0.7
N A:GLN137 3.7 10.3 1.0
C A:GLU205 3.8 8.3 1.0
O A:GLU205 3.8 9.9 1.0
O A:HOH565 3.8 16.9 1.0
HA A:GLN136 3.9 14.0 0.5
HA A:GLN136 3.9 14.3 0.5
C A:GLN137 3.9 9.4 1.0
H A:GLU205 3.9 10.1 1.0
H A:CYS206 4.0 10.0 0.2
C A:GLN136 4.1 11.5 0.5
CE2 A:MBO303 4.1 12.6 0.7
H A:CYS206 4.1 9.9 0.1
N A:GLU205 4.1 8.4 1.0
CA A:VAL135 4.2 11.5 1.0
N A:GLN136 4.2 11.5 0.5
C A:GLN136 4.2 11.2 0.5
N A:GLN136 4.2 11.4 0.5
CB A:LEU204 4.2 9.6 1.0
H A:CYS206 4.2 9.4 0.7
CA A:GLN136 4.2 11.9 0.5
HA A:PRO138 4.3 12.5 0.5
CA A:GLN136 4.3 11.7 0.5
CE6 A:MBO303 4.3 12.1 0.7
HA A:PRO138 4.4 12.2 0.5
HB2 A:LEU204 4.4 11.5 1.0
HB A:VAL135 4.4 16.0 1.0
HD13 A:LEU204 4.4 16.1 1.0
CA A:GLN137 4.4 9.7 1.0
C A:LEU204 4.5 7.9 1.0
CA A:GLU205 4.6 8.2 1.0
O A:HOH612 4.6 45.9 1.0
HD22 A:LEU204 4.6 18.1 1.0
O A:HOH540 4.7 42.0 1.0
O A:ALA134 4.7 10.2 1.0
O A:GLN136 4.7 12.1 0.5
N A:PRO138 4.7 9.6 0.5
N A:PRO138 4.8 9.8 0.5
H A:GLN136 4.8 13.8 0.5
H A:GLN136 4.8 13.7 0.5
CB A:VAL135 4.9 13.4 1.0
C A:CYS206 4.9 7.8 0.2
CA A:LEU204 4.9 8.4 1.0
C A:CYS206 4.9 7.8 0.1
HA A:GLN137 4.9 11.6 1.0
C A:CYS206 4.9 7.7 0.7
O A:GLN136 5.0 11.6 0.5
CA A:PRO138 5.0 10.4 0.5
CA A:PRO138 5.0 10.2 0.5

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide To Be Published.
Page generated: Sun Dec 13 19:15:09 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy