Atomistry » Mercury » PDB 6rkn-7byf » 6sfq
Atomistry »
  Mercury »
    PDB 6rkn-7byf »
      6sfq »

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: Sun Dec 13 19:17:49 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