Zinc in PDB 6i0w: Human Carbonic Anhydrase II in Complex with 4- Methoxybenzenesulfonamide

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4- Methoxybenzenesulfonamide, PDB code: 6i0w 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) 34.96 / 1.04
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.375, 41.427, 72.258, 90.00, 104.63, 90.00
R / Rfree (%) 11.9 / 13.2

Other elements in 6i0w:

The structure of Human Carbonic Anhydrase II in Complex with 4- Methoxybenzenesulfonamide also contains other interesting chemical elements:

Mercury (Hg) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 4- Methoxybenzenesulfonamide (pdb code 6i0w). 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 4- Methoxybenzenesulfonamide, PDB code: 6i0w:

Zinc binding site 1 out of 1 in 6i0w

Go back to Zinc Binding Sites List in 6i0w
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 4- Methoxybenzenesulfonamide


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 4- Methoxybenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.3
occ:1.00
 N1 A:M4S308 2.0 7.0 1.0
NE2 A:HIS94 2.0 6.5 1.0
ND1 A:HIS119 2.0 5.9 1.0
NE2 A:HIS96 2.0 6.5 1.0
CE1 A:HIS119 2.9 6.0 1.0
CD2 A:HIS96 3.0 6.5 1.0
CD2 A:HIS94 3.0 6.7 1.0
O3 A:M4S308 3.0 8.1 1.0
HE1 A:HIS119 3.0 7.2 1.0
CE1 A:HIS94 3.0 6.6 1.0
S1 A:M4S308 3.1 7.3 1.0
CE1 A:HIS96 3.1 7.1 1.0
CG A:HIS119 3.1 5.7 1.0
HD2 A:HIS96 3.1 7.8 1.0
HD2 A:HIS94 3.2 8.0 1.0
HB2 A:HIS119 3.2 7.2 1.0
HE1 A:HIS94 3.2 7.9 1.0
HE1 A:HIS96 3.3 8.5 1.0
HG1 A:THR199 3.5 8.0 1.0
CB A:HIS119 3.6 6.0 1.0
O A:HOH564 3.7 12.3 1.0
HB3 A:HIS119 3.7 7.2 1.0
OG1 A:THR199 3.8 6.6 1.0
OE1 A:GLU106 4.0 6.8 1.0
O2 A:M4S308 4.1 7.6 1.0
NE2 A:HIS119 4.1 6.1 1.0
ND1 A:HIS94 4.1 6.8 1.0
ND1 A:HIS96 4.2 7.7 1.0
CG A:HIS94 4.2 6.7 1.0
CG A:HIS96 4.2 6.7 1.0
CD2 A:HIS119 4.2 5.9 1.0
C5 A:M4S308 4.2 8.3 1.0
HH2 A:TRP209 4.2 8.3 1.0
O A:HOH592 4.6 17.5 1.0
HE2 A:HIS119 4.8 7.3 1.0
C1 A:M4S308 4.9 9.1 1.0
CD A:GLU106 4.9 7.0 1.0
HG23 A:THR200 4.9 12.9 1.0
HD1 A:HIS94 4.9 8.1 1.0
HD1 A:HIS96 4.9 9.2 1.0
HG11 A:VAL143 5.0 8.6 1.0

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Methoxybenzenesulfonamide To Be Published.
Page generated: Wed Dec 16 11:59:14 2020

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