Zinc in PDB 8dpo: Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide

All present enzymatic activity of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide:
4.2.1.1;

The structure of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide, PDB code: 8dpo was solved by A.K.Marapaka, C.Das, D.P.Flaherty, R.Yadav, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.99 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.873, 122.561, 78.214, 90, 117.14, 90
R / Rfree (%)	19.2 / 25.6

The binding sites of Zinc atom in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide (pdb code 8dpo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide, PDB code: 8dpo:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:29.5 occ:1.00 N1 A:AZM301 2.1 31.2 1.0 NE2 A:HIS92 2.1 24.8 1.0 ND1 A:HIS111 2.1 24.6 1.0 NE2 A:HIS94 2.2 25.9 1.0 S1 A:AZM301 2.6 32.1 1.0 O1 A:AZM301 2.7 31.8 1.0 CD2 A:HIS94 3.1 25.5 1.0 CE1 A:HIS111 3.1 25.7 1.0 CD2 A:HIS92 3.1 25.0 1.0 CE1 A:HIS92 3.1 26.2 1.0 CG A:HIS111 3.1 24.9 1.0 CE1 A:HIS94 3.2 24.6 1.0 CB A:HIS111 3.5 23.9 1.0 O2 A:AZM301 3.8 33.0 1.0 OE1 A:GLU98 3.9 26.2 1.0 C1 A:AZM301 3.9 34.8 1.0 OG1 A:THR177 4.0 17.8 1.0 ND1 A:HIS92 4.3 24.7 1.0 CG A:HIS92 4.3 24.4 1.0 CG A:HIS94 4.3 24.9 1.0 NE2 A:HIS111 4.3 24.8 1.0 CD2 A:HIS111 4.3 24.6 1.0 ND1 A:HIS94 4.3 24.0 1.0 N3 A:AZM301 4.5 33.1 1.0 CD A:GLU98 4.9 27.7 1.0 CA A:HIS111 5.0 23.8 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn302 b:29.5 occ:1.00 N1 C:AZM301 2.1 34.9 1.0 NE2 C:HIS92 2.1 19.1 1.0 NE2 C:HIS94 2.2 24.8 1.0 ND1 C:HIS111 2.2 21.2 1.0 O1 C:AZM301 2.6 37.4 1.0 S1 C:AZM301 2.6 34.3 1.0 CE1 C:HIS92 3.1 20.5 1.0 CD2 C:HIS92 3.1 20.3 1.0 CE1 C:HIS111 3.1 23.1 1.0 CD2 C:HIS94 3.1 24.6 1.0 CG C:HIS111 3.2 22.7 1.0 CE1 C:HIS94 3.2 25.6 1.0 CB C:HIS111 3.6 24.4 1.0 O2 C:AZM301 3.8 28.7 1.0 OE1 C:GLU98 3.9 23.3 1.0 OG1 C:THR177 3.9 20.5 1.0 C1 C:AZM301 4.0 34.8 1.0 ND1 C:HIS92 4.1 19.3 1.0 CG C:HIS92 4.2 20.4 1.0 NE2 C:HIS111 4.3 22.2 1.0 CG C:HIS94 4.3 23.9 1.0 ND1 C:HIS94 4.3 24.6 1.0 CD2 C:HIS111 4.4 23.2 1.0 N3 C:AZM301 4.8 31.7 1.0 CD C:GLU98 5.0 24.2 1.0 CA C:HIS111 5.0 23.7 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn302 b:25.7 occ:1.00 NE2 E:HIS94 2.0 21.0 1.0 N1 E:AZM301 2.1 29.5 1.0 NE2 E:HIS92 2.1 20.2 1.0 ND1 E:HIS111 2.2 18.4 1.0 S1 E:AZM301 2.6 27.7 1.0 O1 E:AZM301 2.6 25.6 1.0 CD2 E:HIS94 3.0 21.6 1.0 CE1 E:HIS94 3.1 22.8 1.0 CD2 E:HIS92 3.1 20.0 1.0 CE1 E:HIS92 3.1 20.2 1.0 CG E:HIS111 3.2 19.7 1.0 CE1 E:HIS111 3.2 19.1 1.0 CB E:HIS111 3.4 19.1 1.0 O2 E:AZM301 3.8 27.5 1.0 C1 E:AZM301 4.0 28.7 1.0 OG1 E:THR177 4.0 20.1 1.0 CG E:HIS94 4.2 21.2 1.0 ND1 E:HIS94 4.2 22.2 1.0 OE1 E:GLU98 4.2 20.2 1.0 ND1 E:HIS92 4.2 18.6 1.0 CG E:HIS92 4.2 19.7 1.0 CD2 E:HIS111 4.3 19.0 1.0 NE2 E:HIS111 4.4 17.4 1.0 N3 E:AZM301 4.6 28.5 1.0 CA E:HIS111 4.9 19.4 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn302 b:30.3 occ:1.00 NE2 G:HIS92 1.9 29.9 1.0 N1 G:AZM301 2.1 31.9 1.0 NE2 G:HIS94 2.2 29.9 1.0 ND1 G:HIS111 2.2 25.6 1.0 S1 G:AZM301 2.6 28.9 1.0 O1 G:AZM301 2.6 28.0 1.0 CD2 G:HIS92 3.0 29.6 1.0 CE1 G:HIS92 3.0 33.5 1.0 CD2 G:HIS94 3.1 29.1 1.0 CE1 G:HIS111 3.2 26.5 1.0 CE1 G:HIS94 3.2 29.8 1.0 CG G:HIS111 3.2 25.8 1.0 CB G:HIS111 3.6 25.3 1.0 O2 G:AZM301 3.8 26.3 1.0 C1 G:AZM301 3.9 31.2 1.0 OG1 G:THR177 3.9 21.6 1.0 OE1 G:GLU98 3.9 31.0 1.0 ND1 G:HIS92 4.1 31.6 1.0 CG G:HIS92 4.1 29.6 1.0 CG G:HIS94 4.3 28.6 1.0 ND1 G:HIS94 4.3 29.0 1.0 NE2 G:HIS111 4.4 25.7 1.0 CD2 G:HIS111 4.4 26.8 1.0 N3 G:AZM301 4.5 29.2 1.0

A.K.Marapaka, C.Das, D.P.Flaherty. Crystal Structure of Neisseria Gonorrhoeae Carbonic Anhydrase with Acetazolamide To Be Published.