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Mercury in PDB 6sfq: Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione

Enzymatic activity of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione

All present enzymatic activity of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione:
4.2.1.1;

Protein crystallography data

The structure of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione, PDB code: 6sfq 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) 41.06 / 1.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.410, 41.608, 72.135, 90.00, 104.48, 90.00
R / Rfree (%) 12.6 / 14.7

Other elements in 6sfq:

The structure of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione also contains other interesting chemical elements:

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

Mercury Binding Sites:

The binding sites of Mercury atom in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione (pdb code 6sfq). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione, PDB code: 6sfq:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in 6sfq

Go back to Mercury Binding Sites List in 6sfq
Mercury binding site 1 out of 3 in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg305

b:10.1
occ:0.40
HG A:BE7305 0.0 10.1 0.4
HG A:HG307 1.2 4.4 0.2
C5 A:BE7305 2.3 10.6 0.4
SG A:CYS206 2.5 13.4 0.6
O A:GLN137 3.0 9.0 0.6
O A:GLN137 3.0 9.1 0.4
O A:GLU205 3.0 10.4 1.0
HA A:CYS206 3.0 11.7 0.4
HA A:CYS206 3.1 7.7 0.6
C4 A:BE7305 3.1 12.5 0.4
C6 A:BE7305 3.2 11.6 0.4
HA A:PRO138 3.3 11.4 1.0
C A:GLU205 3.3 8.3 1.0
SG A:CYS206 3.3 10.3 0.4
HB3 A:CYS206 3.3 14.5 0.4
C A:GLN137 3.3 8.7 0.6
C A:GLN137 3.4 9.3 0.4
CB A:CYS206 3.5 8.7 0.6
CA A:CYS206 3.5 9.8 0.4
CA A:CYS206 3.5 6.4 0.6
CB A:CYS206 3.5 12.1 0.4
H A:GLN137 3.5 11.6 0.6
O A:HOH542 3.6 20.8 1.0
N A:CYS206 3.6 9.3 0.4
H A:GLN137 3.6 11.9 0.4
N A:CYS206 3.6 6.6 0.6
N A:GLN137 3.7 9.7 0.6
HB3 A:CYS206 3.7 10.4 0.6
N A:GLN137 3.7 9.9 0.4
H A:GLU205 3.7 10.3 1.0
N A:PRO138 3.9 9.8 1.0
HB3 A:LEU204 3.9 11.2 1.0
O A:VAL135 4.0 12.2 1.0
N A:GLU205 4.0 8.6 1.0
CA A:PRO138 4.0 9.5 1.0
CA A:GLN137 4.1 8.9 0.6
CA A:GLN137 4.1 9.6 0.4
H A:CYS206 4.1 11.2 0.4
C A:GLN136 4.2 10.3 1.0
CA A:GLU205 4.2 8.5 1.0
H A:CYS206 4.3 7.9 0.6
HB2 A:CYS206 4.3 10.4 0.6
HA A:GLN136 4.4 13.2 1.0
HA A:GLN137 4.4 10.7 0.6
HA A:GLN137 4.4 11.5 0.4
HB2 A:GLU205 4.4 11.5 1.0
C3 A:BE7305 4.4 12.8 0.4
C A:VAL135 4.5 10.1 1.0
C7 A:BE7305 4.5 13.0 0.4
HB2 A:CYS206 4.5 14.5 0.4
HA A:VAL135 4.6 11.9 1.0
HD3 A:PRO138 4.7 13.6 1.0
CA A:GLN136 4.7 11.0 1.0
O A:GLN136 4.7 11.6 1.0
HB3 A:PRO138 4.8 13.7 1.0
C A:LEU204 4.8 7.8 1.0
CB A:GLU205 4.8 9.6 1.0
CB A:LEU204 4.9 9.4 1.0
N A:GLN136 4.9 10.0 1.0
CD A:PRO138 4.9 11.3 1.0
C2 A:BE7305 5.0 13.8 0.4
C A:CYS206 5.0 6.8 0.6

Mercury binding site 2 out of 3 in 6sfq

Go back to Mercury Binding Sites List in 6sfq
Mercury binding site 2 out of 3 in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg306

b:19.5
occ:0.08
NE2 A:HIS64 1.2 14.3 0.6
CD2 A:HIS64 1.4 13.7 0.6
CE1 A:HIS64 1.7 15.0 0.6
HE2 A:HIS64 1.7 17.2 0.6
CG A:HIS64 1.9 12.1 0.6
HD2 A:HIS64 2.0 16.4 0.6
ND1 A:HIS64 2.1 14.0 0.6
HE1 A:HIS64 2.5 18.0 0.6
HB3 A:HIS64 2.9 16.6 0.4
O A:ASN62 3.0 11.2 1.0
CB A:HIS64 3.3 9.4 0.6
CG A:HIS64 3.3 15.6 0.4
N A:HIS64 3.4 10.7 0.4
N A:HIS64 3.4 9.2 0.6
CB A:HIS64 3.5 13.9 0.4
H A:HIS64 3.5 12.9 0.4
HB2 A:HIS64 3.5 11.3 0.6
C A:GLY63 3.6 10.0 1.0
H A:HIS64 3.6 11.1 0.6
HA3 A:GLY63 3.6 12.6 1.0
CA A:HIS64 3.8 10.0 0.6
HB3 A:HIS64 3.9 11.3 0.6
C A:ASN62 3.9 9.5 1.0
O A:GLY63 3.9 11.9 1.0
CA A:HIS64 4.0 12.2 0.4
CA A:GLY63 4.0 10.5 1.0
HA A:HIS64 4.0 12.0 0.6
HZ2 A:TRP5 4.1 16.6 1.0
CZ2 A:TRP5 4.3 13.8 1.0
OD1 A:ASN62 4.3 9.4 1.0
HB2 A:HIS64 4.3 16.6 0.4
HA A:HIS64 4.3 14.6 0.4
N A:GLY63 4.4 9.2 1.0
O A:HOH560 4.4 39.0 1.0
HB2 A:ASN62 4.5 12.2 1.0
CH2 A:TRP5 4.6 14.0 1.0
CG A:ASN62 4.7 9.7 1.0
O A:HOH543 4.7 26.0 1.0
HH2 A:TRP5 4.7 16.8 1.0
CE2 A:TRP5 4.7 13.9 1.0
HA2 A:GLY63 4.9 12.6 1.0
CB A:ASN62 5.0 10.1 1.0

Mercury binding site 3 out of 3 in 6sfq

Go back to Mercury Binding Sites List in 6sfq
Mercury binding site 3 out of 3 in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg307

b:4.4
occ:0.20
HG A:BE7305 1.2 10.1 0.4
SG A:CYS206 1.6 13.4 0.6
SG A:CYS206 2.4 10.3 0.4
HB3 A:CYS206 2.9 14.5 0.4
CB A:CYS206 3.0 8.7 0.6
O A:VAL135 3.0 12.2 1.0
CB A:CYS206 3.0 12.1 0.4
O A:GLN137 3.1 9.0 0.6
O A:GLN137 3.2 9.1 0.4
HB3 A:CYS206 3.2 10.4 0.6
H A:GLN137 3.2 11.6 0.6
HB3 A:LEU204 3.2 11.2 1.0
H A:GLN137 3.3 11.9 0.4
HA A:CYS206 3.3 7.7 0.6
HA A:CYS206 3.3 11.7 0.4
C5 A:BE7305 3.3 10.6 0.4
CA A:CYS206 3.5 6.4 0.6
CA A:CYS206 3.5 9.8 0.4
C A:VAL135 3.5 10.1 1.0
N A:GLN137 3.6 9.7 0.6
N A:CYS206 3.6 9.3 0.4
N A:GLN137 3.6 9.9 0.4
HA A:VAL135 3.6 11.9 1.0
N A:CYS206 3.7 6.6 0.6
HB2 A:CYS206 3.7 10.4 0.6
C A:GLU205 3.7 8.3 1.0
C A:GLN137 3.7 8.7 0.6
O A:GLU205 3.8 10.4 1.0
C A:GLN137 3.8 9.3 0.4
O A:HOH542 3.8 20.8 1.0
H A:GLU205 3.9 10.3 1.0
HA A:GLN136 3.9 13.2 1.0
HB2 A:CYS206 4.0 14.5 0.4
H A:CYS206 4.0 11.2 0.4
C A:GLN136 4.1 10.3 1.0
N A:GLU205 4.1 8.6 1.0
C6 A:BE7305 4.1 11.6 0.4
CA A:VAL135 4.1 9.9 1.0
CB A:LEU204 4.1 9.4 1.0
N A:GLN136 4.2 10.0 1.0
HA A:PRO138 4.2 11.4 1.0
H A:CYS206 4.2 7.9 0.6
CA A:GLN136 4.2 11.0 1.0
C4 A:BE7305 4.3 12.5 0.4
CA A:GLN137 4.3 8.9 0.6
CA A:GLN137 4.3 9.6 0.4
HB2 A:LEU204 4.4 11.2 1.0
HD13 A:LEU204 4.4 16.1 1.0
HB A:VAL135 4.5 13.6 1.0
C A:LEU204 4.5 7.8 1.0
CA A:GLU205 4.5 8.5 1.0
HD22 A:LEU204 4.5 17.4 1.0
N A:PRO138 4.6 9.8 1.0
O A:ALA134 4.6 9.8 1.0
HA A:GLN137 4.7 10.7 0.6
HA A:GLN137 4.7 11.5 0.4
H A:GLN136 4.8 12.0 1.0
CA A:PRO138 4.8 9.5 1.0
O A:GLN136 4.8 11.6 1.0
CA A:LEU204 4.9 8.5 1.0
CB A:VAL135 4.9 11.4 1.0
C A:CYS206 4.9 6.8 0.6
O A:HOH444 5.0 26.4 1.0
C A:CYS206 5.0 8.3 0.4
HA A:LEU204 5.0 10.2 1.0

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione To Be Published.
Page generated: Fri Aug 8 11:22:52 2025

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