Zinc in PDB 4yf5: Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH

All present enzymatic activity of Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH:
4.2.1.1;

The structure of Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH, PDB code: 4yf5 was solved by A.Hofmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.56 / 2.00
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	103.289, 153.932, 159.098, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 26

The structure of Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH (pdb code 4yf5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH, PDB code: 4yf5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH


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 RV1284 in the Presence of Polycarpine at Acidic pH within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn200 b:36.0 occ:0.54 NE2 A:HIS88 1.9 42.5 1.0 SG A:CYS91 2.2 64.3 1.0 O A:HOH323 2.3 19.5 1.0 O A:HOH351 2.7 31.1 1.0 CE1 A:HIS88 2.9 47.6 1.0 CD2 A:HIS88 3.0 38.4 1.0 CB A:CYS91 3.2 54.2 1.0 CB A:CYS35 3.7 29.9 1.0 OD2 A:ASP37 3.8 30.3 1.0 CB A:ASP37 3.8 23.0 1.0 N A:GLY92 3.8 50.0 1.0 CA A:CYS91 4.0 53.1 1.0 ND1 A:HIS88 4.0 47.3 1.0 CG A:HIS88 4.1 38.1 1.0 CG A:ASP37 4.2 24.6 1.0 N A:GLY60 4.3 18.7 1.0 C A:CYS91 4.4 45.8 1.0 CA A:GLY60 4.4 14.3 1.0 SG A:CYS35 4.5 21.9 1.0 CA A:ASP37 4.7 19.9 1.0 N A:ASP37 4.7 18.9 1.0 SG A:CYS61 4.8 28.9 1.0 CA A:GLY92 4.8 55.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of RV1284 in the Presence of Polycarpine at Acidic pH


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 RV1284 in the Presence of Polycarpine at Acidic pH within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn200 b:32.3 occ:0.56 NE2 C:HIS88 2.0 31.9 1.0 SG C:CYS91 2.3 48.8 1.0 O C:HOH326 2.4 13.0 1.0 CD2 C:HIS88 2.9 28.3 1.0 CE1 C:HIS88 3.0 40.9 1.0 CB C:CYS91 3.3 58.4 1.0 O D:HOH253 3.6 30.4 1.0 OD2 C:ASP37 3.7 34.6 1.0 CA C:CYS91 3.8 54.8 1.0 CB C:ASP37 3.8 24.0 1.0 CB C:CYS35 3.8 30.6 1.0 N C:GLY92 3.9 52.8 1.0 ND1 C:HIS88 4.1 37.5 1.0 CG C:HIS88 4.1 31.8 1.0 CG C:ASP37 4.2 28.0 1.0 C C:CYS91 4.3 54.0 1.0 N C:GLY60 4.4 23.9 1.0 CA C:GLY60 4.4 27.1 1.0 SG C:CYS35 4.6 33.7 1.0 CA C:ASP37 4.6 18.9 1.0 N C:ASP37 4.7 21.0 1.0 SG C:CYS61 4.7 28.6 1.0 O C:HOH355 5.0 30.4 1.0

L.Nienaber, E.Cave-Freeman, M.Cross, L.Mason, U.M.Bailey, P.Amani, R.Davis, P.Taylor, A.Hofmann. Chemical Probing Suggests Redox-Regulation of the Carbonic Anhydrase Activity of Mycobacterial RV1284. Febs J. 2015.
ISSN: ISSN 1742-464X
PubMed: 25929542
DOI: 10.1111/FEBS.13313