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Mercury in PDB 6sbm: Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy) Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy) Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy) Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy) Benzenesulfonamide, PDB code: 6sbm was solved by S.Gloeckner, K.Ngo, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.93 / 0.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.348, 41.603, 71.968, 90.00, 104.24, 90.00
R / Rfree (%) 11.7 / 12.8

Other elements in 6sbm:

The structure of Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy) Benzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 2 atoms

Mercury Binding Sites:

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

Mercury binding site 1 out of 2 in 6sbm

Go back to Mercury Binding Sites List in 6sbm
Mercury binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy) 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 4-(Pentyloxy) Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg307

b:9.9
occ:0.32
HG A:BE7307 0.0 9.9 0.3
HG A:BE7307 1.1 7.9 0.5
C5 A:BE7307 1.6 7.6 0.5
C5 A:BE7307 2.1 10.8 0.3
C6 A:BE7307 2.1 8.4 0.5
HB3 A:CYS206 2.2 12.8 0.2
SG A:CYS206 2.6 11.5 0.3
C4 A:BE7307 2.8 9.9 0.5
O A:GLN137 2.9 7.6 0.5
O A:GLU205 3.0 9.4 1.0
O A:GLN137 3.0 8.8 0.5
C6 A:BE7307 3.0 12.3 0.3
C4 A:BE7307 3.0 11.7 0.3
HA A:CYS206 3.1 7.0 0.5
HA A:CYS206 3.1 9.7 0.3
CB A:CYS206 3.1 10.6 0.2
SG A:CYS206 3.2 7.8 0.5
HA A:CYS206 3.2 10.4 0.2
HA A:PRO138 3.3 10.3 1.0
C A:GLU205 3.3 7.0 1.0
C A:GLN137 3.4 7.4 0.5
C A:GLN137 3.4 8.5 0.5
C7 A:BE7307 3.5 10.6 0.5
CA A:CYS206 3.5 8.7 0.2
CA A:CYS206 3.5 5.9 0.5
O A:HOH547 3.6 19.5 1.0
N A:CYS206 3.6 5.8 0.5
CB A:CYS206 3.6 10.6 0.3
CA A:CYS206 3.6 8.1 0.3
N A:CYS206 3.6 7.7 0.2
CB A:CYS206 3.6 7.3 0.5
N A:CYS206 3.7 7.1 0.3
H A:GLN137 3.7 11.2 0.5
HB3 A:CYS206 3.7 8.8 0.5
HB2 A:CYS206 3.7 12.8 0.2
H A:GLU205 3.7 8.6 1.0
H A:GLN137 3.7 10.2 0.5
N A:GLN137 3.8 9.3 0.5
N A:GLN137 3.8 8.5 0.5
HB3 A:LEU204 3.8 10.5 1.0
N A:PRO138 3.9 8.3 1.0
HB3 A:CYS206 3.9 12.8 0.3
O A:VAL135 3.9 11.2 1.0
C3 A:BE7307 4.0 11.6 0.5
N A:GLU205 4.0 7.2 1.0
CA A:PRO138 4.0 8.6 1.0
CA A:GLN137 4.1 7.8 0.5
CA A:GLN137 4.1 9.4 0.5
CA A:GLU205 4.2 7.4 1.0
H A:CYS206 4.2 7.0 0.5
H A:CYS206 4.2 9.2 0.2
C2 A:BE7307 4.2 12.0 0.5
C A:GLN136 4.3 9.8 1.0
SG A:CYS206 4.3 12.7 0.2
H A:CYS206 4.3 8.5 0.3
C7 A:BE7307 4.3 12.5 0.3
C3 A:BE7307 4.3 12.1 0.3
HB2 A:CYS206 4.4 12.8 0.3
HA A:GLN136 4.4 12.5 1.0
HB2 A:GLU205 4.4 9.7 1.0
HA A:GLN137 4.4 9.3 0.5
HA A:GLN137 4.4 11.3 0.5
C A:VAL135 4.5 9.9 1.0
HB2 A:CYS206 4.6 8.8 0.5
HG A:CYS206 4.6 15.2 0.2
HD3 A:PRO138 4.7 12.1 1.0
C A:LEU204 4.7 7.0 1.0
HB3 A:PRO138 4.7 12.5 1.0
HA A:VAL135 4.7 11.5 1.0
CB A:LEU204 4.7 8.8 1.0
CA A:GLN136 4.8 10.4 1.0
O A:GLN136 4.8 10.8 1.0
CB A:GLU205 4.8 8.1 1.0
C2 A:BE7307 4.9 12.9 0.3
CD A:PRO138 4.9 10.0 1.0
N A:GLN136 4.9 9.6 1.0
HD22 A:LEU204 5.0 16.6 1.0
HA A:GLU205 5.0 8.9 1.0
CB A:PRO138 5.0 10.4 1.0
C A:PRO138 5.0 7.9 1.0

Mercury binding site 2 out of 2 in 6sbm

Go back to Mercury Binding Sites List in 6sbm
Mercury binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy) 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 4-(Pentyloxy) Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg307

b:7.9
occ:0.52
HG A:BE7307 0.0 7.9 0.5
HG A:BE7307 1.1 9.9 0.3
SG A:CYS206 1.7 11.5 0.3
HB3 A:CYS206 1.7 12.8 0.2
C5 A:BE7307 2.0 7.6 0.5
SG A:CYS206 2.3 7.8 0.5
CB A:CYS206 2.7 10.6 0.2
C4 A:BE7307 3.0 9.9 0.5
O A:VAL135 3.0 11.2 1.0
C6 A:BE7307 3.0 8.4 0.5
O A:GLN137 3.1 7.6 0.5
CB A:CYS206 3.1 10.6 0.3
C5 A:BE7307 3.1 10.8 0.3
O A:GLN137 3.1 8.8 0.5
CB A:CYS206 3.2 7.3 0.5
HB3 A:LEU204 3.2 10.5 1.0
HB3 A:CYS206 3.2 8.8 0.5
HB2 A:CYS206 3.2 12.8 0.2
H A:GLN137 3.3 11.2 0.5
HA A:CYS206 3.3 7.0 0.5
H A:GLN137 3.3 10.2 0.5
HA A:CYS206 3.3 9.7 0.3
HB3 A:CYS206 3.4 12.8 0.3
HA A:CYS206 3.5 10.4 0.2
CA A:CYS206 3.5 8.7 0.2
CA A:CYS206 3.5 5.9 0.5
SG A:CYS206 3.6 12.7 0.2
CA A:CYS206 3.6 8.1 0.3
C A:VAL135 3.6 9.9 1.0
N A:GLN137 3.6 9.3 0.5
HG A:CYS206 3.6 15.2 0.2
N A:CYS206 3.6 5.8 0.5
N A:GLN137 3.6 8.5 0.5
N A:CYS206 3.7 7.7 0.2
C A:GLU205 3.7 7.0 1.0
O A:GLU205 3.7 9.4 1.0
C A:GLN137 3.7 7.4 0.5
HA A:VAL135 3.7 11.5 1.0
C A:GLN137 3.7 8.5 0.5
N A:CYS206 3.7 7.1 0.3
HB2 A:CYS206 3.8 12.8 0.3
C4 A:BE7307 3.9 11.7 0.3
H A:GLU205 3.9 8.6 1.0
O A:HOH547 3.9 19.5 1.0
HA A:GLN136 3.9 12.5 1.0
HB2 A:CYS206 4.0 8.8 0.5
N A:GLU205 4.1 7.2 1.0
HA A:PRO138 4.1 10.3 1.0
H A:CYS206 4.1 7.0 0.5
C A:GLN136 4.1 9.8 1.0
CB A:LEU204 4.1 8.8 1.0
C6 A:BE7307 4.1 12.3 0.3
H A:CYS206 4.1 9.2 0.2
CA A:VAL135 4.2 9.6 1.0
N A:GLN136 4.2 9.6 1.0
H A:CYS206 4.3 8.5 0.3
CA A:GLN137 4.3 9.4 0.5
CA A:GLN137 4.3 7.8 0.5
C3 A:BE7307 4.3 11.6 0.5
HB2 A:LEU204 4.3 10.5 1.0
CA A:GLN136 4.3 10.4 1.0
HD13 A:LEU204 4.3 15.4 1.0
C7 A:BE7307 4.3 10.6 0.5
C A:LEU204 4.5 7.0 1.0
HD22 A:LEU204 4.5 16.6 1.0
CA A:GLU205 4.5 7.4 1.0
N A:PRO138 4.5 8.3 1.0
HB A:VAL135 4.5 12.6 1.0
O A:ALA134 4.6 9.1 1.0
HA A:GLN137 4.7 9.3 0.5
HA A:GLN137 4.7 11.3 0.5
CA A:PRO138 4.8 8.6 1.0
CA A:LEU204 4.8 7.5 1.0
C2 A:BE7307 4.8 12.0 0.5
O A:GLN136 4.9 10.8 1.0
H A:GLN136 4.9 11.6 1.0
C A:CYS206 4.9 7.9 0.2
HA A:LEU204 5.0 9.0 1.0
CB A:VAL135 5.0 10.5 1.0
C A:CYS206 5.0 6.3 0.5
O A:HOH509 5.0 26.2 1.0

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-(Pentyloxy)Benzenesulfonamide To Be Published.
Page generated: Sun Dec 13 19:16:18 2020

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