Chlorine in PDB 7zvh: Penicillium Expansum Antifungal Protein B

The structure of Penicillium Expansum Antifungal Protein B, PDB code: 7zvh was solved by F.Gallego Del Sol, A.Marina, P.Manzanares, J.F.Marcos, M.Giner Llorca, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.45 / 1.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	46.712, 46.712, 42.176, 90, 90, 120
R / Rfree (%)	13.5 / 15.5

The binding sites of Chlorine atom in the Penicillium Expansum Antifungal Protein B (pdb code 7zvh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Penicillium Expansum Antifungal Protein B, PDB code: 7zvh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Penicillium Expansum Antifungal Protein B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Penicillium Expansum Antifungal Protein B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:11.3 occ:1.00 H A:ASP23 2.6 10.1 1.0 HA A:LYS22 2.9 11.9 1.0 O A:HOH205 3.1 11.4 1.0 O A:HOH269 3.3 16.6 1.0 HB3 A:LYS22 3.3 13.7 1.0 HG2 A:LYS22 3.3 15.5 1.0 N A:ASP23 3.5 10.3 1.0 CA A:LYS22 3.7 11.9 1.0 CB A:LYS22 3.8 13.8 1.0 HB2 A:ASP23 3.9 10.8 1.0 CG A:LYS22 4.0 15.2 1.0 C A:LYS22 4.2 11.3 1.0 O A:ASP23 4.5 12.2 1.0 CA A:ASP23 4.6 9.8 1.0 O A:GLY21 4.6 13.7 1.0 HD3 A:LYS22 4.6 18.3 1.0 HG3 A:LYS22 4.7 15.3 1.0 CB A:ASP23 4.7 10.7 1.0 HB2 A:LYS22 4.7 13.6 1.0 CD A:LYS22 4.9 17.8 1.0 N A:LYS22 4.9 12.4 1.0

Chlorine binding site 2 out of 2 in the Penicillium Expansum Antifungal Protein B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Penicillium Expansum Antifungal Protein B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:16.5 occ:1.00 H A:VAL52 2.3 11.3 1.0 HA A:THR51 3.0 13.9 1.0 O A:HOH251 3.0 27.0 1.0 HG3 A:PRO29 3.1 10.6 1.0 O A:HOH223 3.2 19.1 1.0 N A:VAL52 3.3 11.0 1.0 HB A:VAL52 3.5 13.0 1.0 HG23 A:VAL52 3.7 13.6 1.0 CA A:THR51 3.9 14.2 1.0 O A:VAL52 3.9 12.2 1.0 HB A:THR51 4.0 17.6 1.0 CG A:PRO29 4.1 11.0 1.0 C A:THR51 4.1 12.5 1.0 CB A:VAL52 4.2 13.0 1.0 CA A:VAL52 4.2 11.4 1.0 HG21 A:THR51 4.3 21.9 1.0 HG2 A:PRO29 4.3 11.0 1.0 CG2 A:VAL52 4.3 13.7 1.0 CB A:THR51 4.4 17.5 1.0 C A:VAL52 4.5 11.3 1.0 HD3 A:PRO29 4.5 9.7 1.0 O A:LYS50 4.6 19.1 1.0 HB3 A:PRO29 4.7 10.7 1.0 HG22 A:VAL52 4.7 13.7 1.0 HZ1 A:LYS34 4.8 11.8 0.5 CG2 A:THR51 4.9 21.9 1.0 CD A:PRO29 4.9 10.0 1.0 CB A:PRO29 5.0 10.5 1.0

M.Giner-Llorca, F.G.Del Sol, J.F.Marcos, A.Marina, P.Manzanares. Rationally Designed Antifungal Protein Chimeras Reveal New Insights Into Structure-Activity Relationship. Int.J.Biol.Macromol. V. 225 135 2023.
ISSN: ISSN 0141-8130
PubMed: 36460243
DOI: 10.1016/J.IJBIOMAC.2022.11.280