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Zinc in PDB 6hr3: Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide, PDB code: 6hr3 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) 34.98 / 1.02
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.270, 41.519, 72.293, 90.00, 104.59, 90.00
R / Rfree (%) 12.9 / 14.5

Other elements in 6hr3:

The structure of Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide 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 4-Propylbenzenesulfonamide (pdb code 6hr3). 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-Propylbenzenesulfonamide, PDB code: 6hr3:

Zinc binding site 1 out of 1 in 6hr3

Go back to Zinc Binding Sites List in 6hr3
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide


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

b:6.9
occ:1.00
 N A:4JE305 1.9 7.7 1.0
NE2 A:HIS94 2.0 7.4 1.0
ND1 A:HIS119 2.0 6.7 1.0
NE2 A:HIS96 2.0 7.5 1.0
CE1 A:HIS119 2.9 7.3 1.0
CD2 A:HIS94 3.0 7.5 1.0
O1 A:4JE305 3.0 8.9 1.0
CE1 A:HIS94 3.0 7.4 1.0
CD2 A:HIS96 3.0 7.3 1.0
S A:4JE305 3.0 7.8 1.0
CE1 A:HIS96 3.1 7.6 1.0
HE1 A:HIS119 3.1 8.7 1.0
CG A:HIS119 3.1 6.5 1.0
HD2 A:HIS94 3.2 9.0 1.0
HD2 A:HIS96 3.2 8.8 1.0
HB2 A:HIS119 3.2 8.0 1.0
HE1 A:HIS94 3.2 8.9 1.0
HE1 A:HIS96 3.3 9.1 1.0
HG1 A:THR199 3.5 8.5 1.0
CB A:HIS119 3.6 6.7 1.0
O A:HOH593 3.6 31.8 1.0
HB3 A:HIS119 3.7 8.0 1.0
OG1 A:THR199 3.9 7.1 1.0
OE1 A:GLU106 4.0 7.7 1.0
NE2 A:HIS119 4.1 7.1 1.0
O A:4JE305 4.1 8.3 1.0
ND1 A:HIS94 4.1 7.8 1.0
CG A:HIS94 4.1 7.8 1.0
ND1 A:HIS96 4.2 8.5 1.0
C6 A:4JE305 4.2 9.9 1.0
CG A:HIS96 4.2 7.4 1.0
HH2 A:TRP209 4.2 9.6 1.0
CD2 A:HIS119 4.2 7.1 1.0
HG23 A:THR200 4.8 14.9 1.0
C7 A:4JE305 4.8 12.1 1.0
HE2 A:HIS119 4.9 8.6 1.0
HD1 A:HIS94 4.9 9.4 1.0
CD A:GLU106 4.9 7.6 1.0
HG11 A:VAL143 4.9 9.5 1.0
HD1 A:HIS96 4.9 10.2 1.0
C5 A:4JE305 5.0 12.1 1.0

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Propylbenzenesulfonamide To Be Published.
Page generated: Mon Oct 28 23:13:24 2024

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