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Zinc in PDB 6i3e: Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide, PDB code: 6i3e 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) 41.18 / 1.07
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.483, 41.487, 71.915, 90.00, 104.22, 90.00
R / Rfree (%) 12.9 / 14.7

Other elements in 6i3e:

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

Mercury (Hg) 2 atoms
Sodium (Na) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide (pdb code 6i3e). 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-Butylbenzenesulfonamide, PDB code: 6i3e:

Zinc binding site 1 out of 1 in 6i3e

Go back to Zinc Binding Sites List in 6i3e
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide


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

b:6.0
occ:1.00
 N A:H1Z309 2.0 5.9 1.0
NE2 A:HIS94 2.0 6.5 1.0
ND1 A:HIS119 2.0 5.8 1.0
NE2 A:HIS96 2.1 6.3 1.0
CE1 A:HIS119 2.9 5.8 1.0
O2 A:H1Z309 3.0 6.4 1.0
CD2 A:HIS94 3.0 6.5 1.0
CD2 A:HIS96 3.0 6.2 1.0
S A:H1Z309 3.0 6.7 1.0
CE1 A:HIS94 3.0 6.0 1.0
HE1 A:HIS119 3.0 6.9 1.0
CE1 A:HIS96 3.1 6.7 1.0
CG A:HIS119 3.1 6.1 1.0
HD2 A:HIS96 3.2 7.4 1.0
HD2 A:HIS94 3.2 7.8 1.0
HB2 A:HIS119 3.2 7.3 1.0
HE1 A:HIS94 3.2 7.1 1.0
HE1 A:HIS96 3.3 8.0 1.0
HG1 A:THR199 3.5 7.5 1.0
CB A:HIS119 3.6 6.1 1.0
HB3 A:HIS119 3.7 7.3 1.0
O A:HOH587 3.7 26.2 1.0
OG1 A:THR199 3.9 6.3 1.0
OE1 A:GLU106 4.0 6.4 1.0
O1 A:H1Z309 4.1 6.8 1.0
NE2 A:HIS119 4.1 6.3 1.0
ND1 A:HIS94 4.1 6.3 1.0
CG A:HIS94 4.2 5.9 1.0
ND1 A:HIS96 4.2 7.1 1.0
C7 A:H1Z309 4.2 8.0 1.0
CG A:HIS96 4.2 6.6 1.0
CD2 A:HIS119 4.2 6.3 1.0
HH2 A:TRP209 4.2 8.5 1.0
C6 A:H1Z309 4.8 8.7 1.0
HG23 A:THR200 4.8 13.2 1.0
HE2 A:HIS119 4.8 7.5 1.0
HD1 A:HIS94 4.9 7.5 1.0
CD A:GLU106 4.9 6.6 1.0
HG11 A:VAL143 4.9 8.6 1.0
HD1 A:HIS96 4.9 8.5 1.0

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Butylbenzenesulfonamide To Be Published.
Page generated: Mon Oct 28 23:34:39 2024

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