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Zinc in PDB 6rob: Human Carbonic Anhydrase II in Complex with 4-Cyanobenzenesulfonamide

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 4-Cyanobenzenesulfonamide, PDB code: 6rob 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) 40.94 / 0.93
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.297, 41.486, 72.238, 90.00, 104.53, 90.00
R / Rfree (%) 11.2 / 12

Other elements in 6rob:

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

Zinc binding site 1 out of 1 in 6rob

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


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-Cyanobenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:4.4
occ:1.00
 N1 A:KBZ306 2.0 5.1 1.0
NE2 A:HIS94 2.0 4.7 1.0
NE2 A:HIS96 2.0 4.8 1.0
ND1 A:HIS119 2.0 4.7 1.0
CE1 A:HIS119 2.9 4.7 1.0
CD2 A:HIS94 3.0 5.0 1.0
CD2 A:HIS96 3.0 4.8 1.0
O A:KBZ306 3.0 6.0 1.0
CE1 A:HIS94 3.0 5.0 1.0
S A:KBZ306 3.0 5.0 1.0
CE1 A:HIS96 3.0 6.0 1.0
HE1 A:HIS119 3.0 5.6 1.0
CG A:HIS119 3.1 4.3 1.0
HD2 A:HIS96 3.2 5.8 1.0
HD2 A:HIS94 3.2 6.0 1.0
HB2 A:HIS119 3.2 5.2 1.0
HE1 A:HIS94 3.2 6.0 1.0
HE1 A:HIS96 3.3 7.2 1.0
HG1 A:THR199 3.5 5.8 1.0
CB A:HIS119 3.6 4.3 1.0
O A:HOH545 3.6 20.4 1.0
HB3 A:HIS119 3.7 5.2 1.0
OG1 A:THR199 3.9 4.8 1.0
OE1 A:GLU106 4.0 5.2 1.0
NE2 A:HIS119 4.1 4.8 1.0
O1 A:KBZ306 4.1 5.8 1.0
ND1 A:HIS94 4.1 5.0 1.0
ND1 A:HIS96 4.1 6.2 1.0
CG A:HIS94 4.2 4.9 1.0
CG A:HIS96 4.2 4.9 1.0
C4 A:KBZ306 4.2 6.3 1.0
CD2 A:HIS119 4.2 4.6 1.0
HH2 A:TRP209 4.2 6.9 1.0
HG23 A:THR200 4.8 11.1 1.0
C3 A:KBZ306 4.8 8.1 1.0
HE2 A:HIS119 4.9 5.7 1.0
CD A:GLU106 4.9 5.1 1.0
HD1 A:HIS94 4.9 6.0 1.0
HG11 A:VAL143 4.9 6.6 1.0
HD1 A:HIS96 4.9 7.4 1.0

Reference:

S.Glockner, K.Ngo, B.Wagner, A.Heine, G.Klebe. The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules V. 10 2020.
ISSN: ESSN 2218-273X
PubMed: 32230853
DOI: 10.3390/BIOM10040509
Page generated: Tue Oct 29 06:39:58 2024

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