Zinc in PDB 6sdi: Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm

Enzymatic activity of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm, PDB code: 6sdi was solved by S.Gloeckner, M.Haake, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.14 / 1.03
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.262, 41.639, 72.267, 90.00, 104.09, 90.00
R / Rfree (%) 12.5 / 14.1

Other elements in 6sdi:

The structure of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm also contains other interesting chemical elements:

Mercury (Hg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm (pdb code 6sdi). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm, PDB code: 6sdi:

Zinc binding site 1 out of 1 in 6sdi

Go back to Zinc Binding Sites List in 6sdi
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:6.9
occ:1.00
 N13 A:0VV305 1.9 5.3 0.6
ND1 A:HIS119 2.0 6.3 1.0
NE2 A:HIS94 2.0 7.0 1.0
NE2 A:HIS96 2.0 7.1 1.0
CE1 A:HIS119 2.9 6.5 1.0
CD2 A:HIS94 3.0 7.0 1.0
CD2 A:HIS96 3.0 6.8 1.0
HE1 A:HIS119 3.0 7.8 1.0
CE1 A:HIS94 3.0 7.3 1.0
CE1 A:HIS96 3.0 7.9 1.0
CG A:HIS119 3.1 6.2 1.0
S12 A:0VV305 3.1 10.4 0.6
HD2 A:HIS94 3.1 8.4 1.0
O15 A:0VV305 3.2 10.6 0.6
HD2 A:HIS96 3.2 8.2 1.0
HB2 A:HIS119 3.2 7.5 1.0
HE1 A:HIS96 3.2 9.5 1.0
HE1 A:HIS94 3.3 8.8 1.0
CB A:HIS119 3.6 6.3 1.0
HG1 A:THR199 3.6 9.1 1.0
O A:HOH408 3.7 22.3 1.0
HB3 A:HIS119 3.8 7.5 1.0
OG1 A:THR199 3.8 7.6 1.0
O14 A:0VV305 4.0 9.9 0.6
OE1 A:GLU106 4.0 7.4 1.0
NE2 A:HIS119 4.1 7.0 1.0
CG A:HIS94 4.1 7.2 1.0
ND1 A:HIS94 4.1 7.6 1.0
ND1 A:HIS96 4.2 8.2 1.0
CG A:HIS96 4.2 7.2 1.0
CD2 A:HIS119 4.2 6.8 1.0
N11 A:0VV305 4.2 11.8 0.6
HH2 A:TRP209 4.3 9.9 1.0
HG23 A:THR200 4.7 14.7 1.0
HE2 A:HIS119 4.8 8.4 1.0
CD A:GLU106 4.9 6.9 1.0
HD1 A:HIS94 4.9 9.1 1.0
HD1 A:HIS96 4.9 9.8 1.0
H A:THR199 5.0 9.1 1.0

Reference:

S.Gloeckner, M.Haake, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with An Inhibitor Soaked at A Concentration of 0.01 Mm To Be Published.
Page generated: Tue Oct 29 07:18:20 2024

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