Zinc in PDB 8gpp: Acinetobacter Baumannii Carbonic Anhydrase Paay

The structure of Acinetobacter Baumannii Carbonic Anhydrase Paay, PDB code: 8gpp was solved by Y.Wen, M.Jiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.17 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.073, 93.123, 56.445, 90, 109.41, 90
R / Rfree (%)	19.7 / 25.5

The structure of Acinetobacter Baumannii Carbonic Anhydrase Paay also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Zinc atom in the Acinetobacter Baumannii Carbonic Anhydrase Paay (pdb code 8gpp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Acinetobacter Baumannii Carbonic Anhydrase Paay, PDB code: 8gpp:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Acinetobacter Baumannii Carbonic Anhydrase Paay


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Acinetobacter Baumannii Carbonic Anhydrase Paay within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:55.1 occ:1.00 NE2 B:HIS82 2.2 32.2 1.0 ND1 A:HIS65 2.3 39.3 1.0 NE2 A:HIS87 2.3 48.4 1.0 O1 B:BCT301 2.4 57.4 1.0 CD2 A:HIS87 2.9 43.5 1.0 CE1 B:HIS82 3.1 35.1 1.0 CE1 A:HIS65 3.1 41.9 1.0 CD2 B:HIS82 3.3 35.3 1.0 C B:BCT301 3.3 61.0 1.0 CG A:HIS65 3.3 41.1 1.0 CE1 A:HIS87 3.5 52.6 1.0 OH B:TYR159 3.6 38.6 1.0 CB A:HIS65 3.7 38.2 1.0 O2 B:BCT301 3.8 54.5 1.0 OE1 B:GLN59 3.9 35.8 1.0 CG A:HIS87 4.2 47.2 1.0 ND1 B:HIS82 4.3 33.2 1.0 NE2 A:HIS65 4.3 42.0 1.0 CG B:HIS82 4.4 34.7 1.0 CD2 A:HIS65 4.4 41.5 1.0 ND1 A:HIS87 4.4 50.9 1.0 O3 B:BCT301 4.5 54.5 1.0 N A:GLY66 4.6 46.4 1.0 CZ B:TYR159 4.7 39.4 1.0 CD B:GLN59 4.7 36.2 1.0 NH2 A:ARG44 4.8 34.9 1.0 O A:GLY66 4.8 55.8 1.0 CE B:MET99 4.8 42.2 1.0 CA A:HIS65 4.9 39.8 1.0 C A:HIS65 5.0 44.6 1.0 CE1 B:TYR159 5.0 41.7 1.0

Zinc binding site 2 out of 3 in the Acinetobacter Baumannii Carbonic Anhydrase Paay


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Acinetobacter Baumannii Carbonic Anhydrase Paay within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:59.6 occ:1.00 NE2 C:HIS82 2.2 39.0 1.0 O2 C:BCT301 2.2 55.6 1.0 ND1 B:HIS65 2.3 41.4 1.0 NE2 B:HIS87 2.3 45.8 1.0 CE1 C:HIS82 2.9 38.2 1.0 CE1 B:HIS65 3.1 44.6 1.0 CD2 B:HIS87 3.2 43.2 1.0 CG B:HIS65 3.3 41.7 1.0 CE1 B:HIS87 3.3 48.0 1.0 C C:BCT301 3.4 59.0 1.0 CD2 C:HIS82 3.4 39.7 1.0 OH C:TYR159 3.6 42.1 1.0 CB B:HIS65 3.7 38.5 1.0 O1 C:BCT301 3.9 59.7 1.0 OE1 C:GLN59 4.0 41.4 1.0 ND1 C:HIS82 4.1 37.5 1.0 NE2 B:HIS65 4.2 44.4 1.0 CD2 B:HIS65 4.4 40.3 1.0 CG B:HIS87 4.4 42.6 1.0 CG C:HIS82 4.4 37.2 1.0 ND1 B:HIS87 4.4 44.9 1.0 O3 C:BCT301 4.4 60.1 1.0 N B:GLY66 4.5 43.0 1.0 NH2 B:ARG44 4.7 41.0 1.0 CD C:GLN59 4.8 40.7 1.0 O B:GLY66 4.8 46.5 1.0 CZ C:TYR159 4.8 44.2 1.0 C B:HIS65 4.9 41.8 1.0 CA B:HIS65 4.9 40.0 1.0 CE C:MET99 5.0 38.4 1.0 C B:GLY66 5.0 48.2 1.0

Zinc binding site 3 out of 3 in the Acinetobacter Baumannii Carbonic Anhydrase Paay


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Acinetobacter Baumannii Carbonic Anhydrase Paay within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn302 b:60.6 occ:1.00 ND1 C:HIS65 2.3 40.6 1.0 NE2 A:HIS82 2.3 34.0 1.0 NE2 C:HIS87 2.3 46.0 1.0 O2 A:BCT301 2.5 67.3 1.0 CD2 C:HIS87 3.0 39.7 1.0 CE1 C:HIS65 3.0 42.0 1.0 O A:HOH405 3.0 53.2 1.0 CE1 A:HIS82 3.2 35.1 1.0 CD2 A:HIS82 3.3 35.7 1.0 HO3 A:BCT301 3.3 77.5 1.0 OH A:TYR159 3.4 44.0 1.0 CG C:HIS65 3.4 40.7 1.0 CE1 C:HIS87 3.4 49.2 1.0 C A:BCT301 3.5 68.7 1.0 CB C:HIS65 3.8 39.2 1.0 O3 A:BCT301 3.9 64.5 1.0 OE1 A:GLN59 4.0 37.9 1.0 NE2 C:HIS65 4.2 42.9 1.0 CG C:HIS87 4.2 41.5 1.0 ND1 A:HIS82 4.3 33.2 1.0 CD2 C:HIS65 4.4 40.7 1.0 CG A:HIS82 4.4 32.7 1.0 ND1 C:HIS87 4.4 46.4 1.0 CZ A:TYR159 4.6 43.4 1.0 O1 A:BCT301 4.6 63.5 1.0 N C:GLY66 4.7 42.2 1.0 CD A:GLN59 4.7 37.9 1.0 NH2 C:ARG44 4.9 36.1 1.0 CE1 A:TYR159 4.9 43.0 1.0

Y.Wen, M.Jiao. Acinetobacter Baumannii Carbonic Anhydrase Structure 2023.
ISSN: ISSN 0969-2126