Chlorine in PDB 7ztj: Penicillium Expansum Antifungal Protein Chimera C-Ter

The structure of Penicillium Expansum Antifungal Protein Chimera C-Ter, PDB code: 7ztj was solved by F.Gallego, 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)	39.77 / 1.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	45.923, 45.923, 43.031, 90, 90, 120
R / Rfree (%)	13.2 / 16.7

The binding sites of Chlorine atom in the Penicillium Expansum Antifungal Protein Chimera C-Ter (pdb code 7ztj). 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 Chimera C-Ter, PDB code: 7ztj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Penicillium Expansum Antifungal Protein Chimera C-Ter


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 Chimera C-Ter within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:15.2 occ:1.00 H A:ASP23 2.5 15.3 1.0 HA A:LYS22 2.9 17.2 0.5 HA A:LYS22 2.9 17.1 0.5 O A:HOH210 3.1 15.8 1.0 HG2 A:LYS22 3.3 20.1 0.5 HB3 A:LYS22 3.3 19.5 0.5 HG2 A:LYS22 3.4 20.4 0.5 HB3 A:LYS22 3.4 19.6 0.5 N A:ASP23 3.5 14.7 1.0 CA A:LYS22 3.7 17.0 0.5 CA A:LYS22 3.7 17.0 0.5 CB A:LYS22 3.8 19.4 0.5 CB A:LYS22 3.9 19.5 0.5 HB2 A:ASP23 3.9 16.0 1.0 CG A:LYS22 4.0 20.3 0.5 CG A:LYS22 4.1 20.3 0.5 C A:LYS22 4.1 15.3 1.0 O A:ASP23 4.5 17.5 1.0 CA A:ASP23 4.5 14.3 1.0 HG3 A:LYS22 4.5 20.0 0.5 CB A:ASP23 4.6 15.5 1.0 O A:GLY21 4.6 20.1 1.0 HD3 A:LYS22 4.6 23.0 0.5 HB2 A:LYS22 4.7 19.1 0.5 HG3 A:LYS22 4.8 20.1 0.5 HB2 A:LYS22 4.8 19.2 0.5 N A:LYS22 4.9 17.7 1.0 CD A:LYS22 4.9 22.1 0.5

Chlorine binding site 2 out of 2 in the Penicillium Expansum Antifungal Protein Chimera C-Ter


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 Chimera C-Ter within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:22.8 occ:1.00 H A:VAL52 2.3 14.7 1.0 HA A:THR51 2.8 18.7 1.0 HG3 A:PRO29 3.2 16.8 1.0 N A:VAL52 3.2 14.7 1.0 HB A:VAL52 3.5 15.0 1.0 CA A:THR51 3.7 18.5 1.0 HB A:THR51 3.7 22.2 1.0 HG23 A:VAL52 3.7 16.2 1.0 HG21 A:THR51 3.9 27.3 1.0 C A:THR51 4.0 15.8 1.0 O A:VAL52 4.0 16.2 1.0 CB A:VAL52 4.1 14.7 1.0 CA A:VAL52 4.1 14.4 1.0 CB A:THR51 4.2 22.0 1.0 CG A:PRO29 4.2 16.7 1.0 O A:HOH216 4.3 60.3 1.0 CG2 A:VAL52 4.4 15.9 1.0 HG2 A:PRO29 4.5 16.1 1.0 O A:LYS50 4.5 20.4 1.0 HD3 A:PRO29 4.5 14.9 1.0 C A:VAL52 4.5 15.0 1.0 CG2 A:THR51 4.5 25.9 1.0 HG22 A:VAL52 4.7 16.4 1.0 HB3 A:PRO29 4.7 16.9 1.0 N A:THR51 4.9 17.8 1.0 CD A:PRO29 4.9 15.1 1.0 HG22 A:THR51 5.0 23.6 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