Zinc in PDB 2a8c: Haemophilus Influenzae Beta-Carbonic Anhydrase

All present enzymatic activity of Haemophilus Influenzae Beta-Carbonic Anhydrase:
4.2.1.1;

The structure of Haemophilus Influenzae Beta-Carbonic Anhydrase, PDB code: 2a8c was solved by J.D.Cronk, R.S.Rowlett, K.Y.J.Zhang, C.Tu, J.A.Endrizzi, J.Lee, P.C.Gareiss, J.R.Preiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	232.655, 144.726, 52.408, 90.00, 93.97, 90.00
R / Rfree (%)	21.5 / 25.9

The binding sites of Zinc atom in the Haemophilus Influenzae Beta-Carbonic Anhydrase (pdb code 2a8c). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Haemophilus Influenzae Beta-Carbonic Anhydrase, PDB code: 2a8c:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Haemophilus Influenzae Beta-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Haemophilus Influenzae Beta-Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1230 b:43.2 occ:1.00 OD2 A:ASP44 1.8 45.0 1.0 NE2 A:HIS98 1.9 45.4 1.0 SG A:CYS42 2.3 38.4 1.0 SG A:CYS101 2.3 43.0 1.0 CE1 A:HIS98 2.5 45.8 1.0 CG A:ASP44 2.7 46.1 1.0 CB A:ASP44 3.0 47.4 1.0 CD2 A:HIS98 3.1 42.9 1.0 CB A:CYS42 3.2 33.5 1.0 CB A:CYS101 3.3 43.2 1.0 CA A:CYS101 3.7 43.5 1.0 ND1 A:HIS98 3.8 45.6 1.0 OD1 A:ASP44 3.8 47.4 1.0 CG A:HIS98 4.0 43.3 1.0 N A:GLY102 4.2 40.5 1.0 CA A:ASP44 4.2 49.0 1.0 O A:HOH1233 4.2 32.2 1.0 N A:ASP44 4.2 42.9 1.0 C A:CYS101 4.3 42.2 1.0 N A:GLY103 4.4 40.4 1.0 CA A:CYS42 4.6 34.8 1.0 N A:ALA67 4.8 36.4 1.0 CA A:ALA67 4.8 35.2 1.0 C A:CYS42 5.0 34.5 1.0

Zinc binding site 2 out of 6 in the Haemophilus Influenzae Beta-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Haemophilus Influenzae Beta-Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2230 b:44.6 occ:1.00 OD2 B:ASP44 1.9 39.8 1.0 NE2 B:HIS98 2.0 53.7 1.0 SG B:CYS101 2.2 38.4 1.0 SG B:CYS42 2.3 44.5 1.0 CG B:ASP44 2.8 44.6 1.0 CE1 B:HIS98 2.9 52.9 1.0 CD2 B:HIS98 3.0 51.4 1.0 CB B:ASP44 3.2 48.5 1.0 CB B:CYS101 3.2 42.3 1.0 CB B:CYS42 3.2 39.9 1.0 CA B:CYS101 3.6 44.6 1.0 OD1 B:ASP44 4.0 42.5 1.0 ND1 B:HIS98 4.0 52.4 1.0 CG B:HIS98 4.1 51.0 1.0 N B:GLY102 4.1 42.0 1.0 C B:CYS101 4.2 43.0 1.0 O B:HOH2244 4.2 41.1 1.0 CA B:ASP44 4.4 49.1 1.0 N B:ASP44 4.4 46.7 1.0 N B:GLY103 4.4 44.9 1.0 CA B:CYS42 4.7 40.7 1.0 OD1 B:ASN68 4.9 35.0 1.0 CA B:ALA67 4.9 37.3 1.0 N B:CYS101 4.9 46.9 1.0 N B:ALA67 4.9 38.4 1.0

Zinc binding site 3 out of 6 in the Haemophilus Influenzae Beta-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Haemophilus Influenzae Beta-Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn3230 b:53.6 occ:1.00 SG C:CYS101 2.1 49.4 1.0 SG C:CYS42 2.2 58.0 1.0 OD2 C:ASP44 2.2 59.4 1.0 NE2 C:HIS98 2.2 59.1 1.0 CE1 C:HIS98 2.6 57.4 1.0 CB C:CYS42 3.1 52.8 1.0 CG C:ASP44 3.1 57.3 1.0 CB C:CYS101 3.3 56.4 1.0 CD2 C:HIS98 3.4 57.7 1.0 CB C:ASP44 3.5 56.1 1.0 CA C:CYS101 3.8 56.8 1.0 ND1 C:HIS98 3.8 57.0 1.0 N C:GLY102 4.0 55.7 1.0 CG C:HIS98 4.2 56.9 1.0 OD1 C:ASP44 4.2 60.1 1.0 C C:CYS101 4.2 56.3 1.0 N C:GLY103 4.4 52.0 1.0 N C:ASP44 4.5 53.0 1.0 CA C:CYS42 4.5 51.9 1.0 CA C:ASP44 4.6 55.8 1.0 CA C:ALA67 4.7 39.0 1.0 N C:ALA67 4.7 40.7 1.0 C C:CYS42 4.9 52.0 1.0

Zinc binding site 4 out of 6 in the Haemophilus Influenzae Beta-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Haemophilus Influenzae Beta-Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn4230 b:43.0 occ:1.00 OD2 D:ASP44 1.9 42.3 1.0 NE2 D:HIS98 2.0 36.8 1.0 SG D:CYS101 2.3 41.0 1.0 SG D:CYS42 2.3 40.0 1.0 CE1 D:HIS98 2.8 36.2 1.0 CG D:ASP44 2.9 44.0 1.0 CD2 D:HIS98 3.1 34.3 1.0 CB D:CYS42 3.2 28.6 1.0 CB D:ASP44 3.3 41.2 1.0 CB D:CYS101 3.3 44.4 1.0 CA D:CYS101 3.6 42.9 1.0 ND1 D:HIS98 4.0 38.0 1.0 OD1 D:ASP44 4.0 41.1 1.0 N D:GLY102 4.1 42.6 1.0 CG D:HIS98 4.1 37.0 1.0 O D:HOH4249 4.1 35.1 1.0 C D:CYS101 4.2 44.0 1.0 N D:ASP44 4.3 40.3 1.0 N D:GLY103 4.3 41.2 1.0 CA D:ASP44 4.4 43.6 1.0 CA D:CYS42 4.7 34.6 1.0 CA D:ALA67 4.9 33.3 1.0 N D:ALA67 4.9 33.4 1.0 N D:CYS101 4.9 48.5 1.0 C D:CYS42 5.0 36.0 1.0

Zinc binding site 5 out of 6 in the Haemophilus Influenzae Beta-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Haemophilus Influenzae Beta-Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn5230 b:57.4 occ:1.00 SG E:CYS101 2.0 49.5 1.0 NE2 E:HIS98 2.1 76.7 1.0 OD2 E:ASP44 2.1 63.3 1.0 SG E:CYS42 2.2 59.4 1.0 CE1 E:HIS98 2.6 75.3 1.0 CG E:ASP44 3.0 62.6 1.0 CD2 E:HIS98 3.2 75.0 1.0 CB E:CYS42 3.2 56.1 1.0 CB E:CYS101 3.3 56.0 1.0 CB E:ASP44 3.4 61.2 1.0 ND1 E:HIS98 3.7 74.5 1.0 CA E:CYS101 3.8 55.9 1.0 CG E:HIS98 4.0 74.3 1.0 OD1 E:ASP44 4.1 66.0 1.0 N E:GLY102 4.3 53.2 1.0 C E:CYS101 4.3 54.2 1.0 N E:ASP44 4.5 60.0 1.0 N E:GLY103 4.5 49.1 1.0 CA E:ASP44 4.6 62.6 1.0 CA E:CYS42 4.6 57.3 1.0 N E:ALA67 4.7 46.1 1.0 CA E:ALA67 4.7 42.9 1.0

Zinc binding site 6 out of 6 in the Haemophilus Influenzae Beta-Carbonic Anhydrase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Haemophilus Influenzae Beta-Carbonic Anhydrase within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn6230 b:50.1 occ:1.00 OD2 F:ASP44 1.9 44.8 1.0 NE2 F:HIS98 1.9 48.1 1.0 SG F:CYS101 2.3 45.4 1.0 SG F:CYS42 2.3 39.8 1.0 CE1 F:HIS98 2.7 50.9 1.0 CG F:ASP44 2.8 45.4 1.0 CD2 F:HIS98 3.0 48.8 1.0 CB F:CYS101 3.1 47.4 1.0 CB F:CYS42 3.2 39.1 1.0 CB F:ASP44 3.2 44.0 1.0 CA F:CYS101 3.6 47.5 1.0 ND1 F:HIS98 3.9 49.3 1.0 OD1 F:ASP44 4.0 46.0 1.0 CG F:HIS98 4.0 48.8 1.0 N F:GLY102 4.1 45.5 1.0 O F:HOH6248 4.1 41.3 1.0 C F:CYS101 4.2 46.9 1.0 N F:ASP44 4.4 45.8 1.0 CA F:ASP44 4.4 45.7 1.0 N F:GLY103 4.4 45.1 1.0 CA F:CYS42 4.6 40.7 1.0 N F:ALA67 4.8 38.8 1.0 CA F:ALA67 4.9 38.9 1.0 N F:CYS101 4.9 51.0 1.0 OD1 F:ASN68 5.0 40.5 1.0

J.D.Cronk, R.S.Rowlett, K.Y.J.Zhang, C.Tu, J.A.Endrizzi, J.Lee, P.C.Gareiss, J.R.Preiss. Identification of A Novel Noncatalytic Bicarbonate Binding Site in Eubacterial Beta-Carbonic Anhydrase Biochemistry V. 45 4351 2006.
ISSN: ISSN 0006-2960
PubMed: 16584170
DOI: 10.1021/BI052272Q