Zinc in PDB 6sbl: Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide, PDB code: 6sbl 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) 41.03 / 0.94
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.339, 41.568, 72.026, 90.00, 104.30, 90.00
R / Rfree (%) 12.1 / 13.7

Other elements in 6sbl:

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

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

Zinc Binding Sites:

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

Zinc binding site 1 out of 1 in 6sbl

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


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-Hexylbenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:5.6
occ:1.00
 N A:L4Q306 1.9 6.7 1.0
NE2 A:HIS94 2.0 6.2 1.0
NE2 A:HIS96 2.0 6.1 1.0
ND1 A:HIS119 2.0 5.9 1.0
CE1 A:HIS119 2.9 5.7 1.0
CD2 A:HIS96 3.0 6.1 1.0
CD2 A:HIS94 3.0 6.3 1.0
O A:L4Q306 3.0 7.3 1.0
CE1 A:HIS94 3.0 6.3 1.0
HE1 A:HIS119 3.0 6.8 1.0
S A:L4Q306 3.0 6.5 1.0
CE1 A:HIS96 3.0 6.6 1.0
CG A:HIS119 3.1 5.5 1.0
HD2 A:HIS96 3.2 7.3 1.0
HD2 A:HIS94 3.2 7.5 1.0
HB2 A:HIS119 3.2 6.6 1.0
HE1 A:HIS94 3.2 7.6 1.0
HE1 A:HIS96 3.3 8.0 1.0
HG1 A:THR199 3.5 7.3 1.0
CB A:HIS119 3.6 5.5 1.0
HB3 A:HIS119 3.7 6.6 1.0
O A:HOH589 3.8 33.1 1.0
OG1 A:THR199 3.9 6.1 1.0
OE1 A:GLU106 4.0 6.3 1.0
O1 A:L4Q306 4.1 7.0 1.0
NE2 A:HIS119 4.1 5.8 1.0
ND1 A:HIS94 4.1 6.2 1.0
ND1 A:HIS96 4.1 7.4 1.0
CG A:HIS94 4.1 5.9 1.0
CG A:HIS96 4.2 6.1 1.0
C9 A:L4Q306 4.2 8.1 1.0
CD2 A:HIS119 4.2 5.7 1.0
HH2 A:TRP209 4.2 8.4 1.0
HG23 A:THR200 4.7 12.8 1.0
C8 A:L4Q306 4.8 9.1 1.0
HE2 A:HIS119 4.8 7.0 1.0
CD A:GLU106 4.9 6.3 1.0
HD1 A:HIS94 4.9 7.4 1.0
HD1 A:HIS96 4.9 8.8 1.0
HG11 A:VAL143 4.9 8.8 1.0
C10 A:L4Q306 5.0 9.4 1.0

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with 4-Hexylbenzenesulfonamide To Be Published.
Page generated: Wed Dec 16 12:45:54 2020

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