Chlorine in PDB 7zut: Penicillium Expansum Chimera LOOP1

The structure of Penicillium Expansum Chimera LOOP1, PDB code: 7zut 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)	38.91 / 1.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	44.931, 44.931, 42.829, 90, 90, 120
R / Rfree (%)	12.6 / 14.6

The binding sites of Chlorine atom in the Penicillium Expansum Chimera LOOP1 (pdb code 7zut). 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 Chimera LOOP1, PDB code: 7zut:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Penicillium Expansum Chimera LOOP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Penicillium Expansum Chimera LOOP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:41.8 occ:1.00 H A:ASP39 2.0 9.6 1.0 O A:HOH210 2.6 29.6 1.0 O A:HOH264 2.9 33.7 1.0 N A:ASP39 3.0 9.8 1.0 HA A:THR38 3.0 10.8 1.0 HB2 A:ASP39 3.1 10.7 1.0 HD2 A:LYS10 3.2 15.1 1.0 HG23 A:THR38 3.2 15.4 1.0 O A:HOH233 3.4 22.2 1.0 HZ1 A:LYS10 3.4 23.2 1.0 HB3 A:ASP39 3.4 10.4 1.0 HD3 A:LYS10 3.4 15.3 1.0 CB A:ASP39 3.6 10.4 1.0 CD A:LYS10 3.7 14.9 1.0 HZ3 A:LYS10 3.8 22.9 1.0 CA A:THR38 3.8 10.8 1.0 C A:THR38 3.9 9.7 1.0 CA A:ASP39 3.9 9.6 1.0 NZ A:LYS10 4.0 22.8 1.0 CG2 A:THR38 4.1 15.5 1.0 HG21 A:THR38 4.4 15.4 1.0 CE A:LYS10 4.5 18.3 1.0 O A:HOH219 4.5 23.3 1.0 HB2 A:LYS10 4.5 10.9 1.0 O A:HOH218 4.5 41.2 1.0 CB A:THR38 4.6 13.5 1.0 HA A:ASP39 4.6 9.5 1.0 O A:LYS37 4.6 12.3 1.0 O A:ASP39 4.7 10.5 1.0 HG22 A:THR38 4.8 15.4 1.0 HZ2 A:LYS10 4.8 22.1 1.0 C A:ASP39 4.8 9.5 1.0 HB3 A:LYS10 4.8 11.1 1.0 HE3 A:LYS10 4.9 18.8 1.0 O A:HOH259 5.0 24.2 1.0 N A:THR38 5.0 9.9 1.0 CG A:LYS10 5.0 12.4 1.0 CG A:ASP39 5.0 11.1 1.0

Chlorine binding site 2 out of 2 in the Penicillium Expansum Chimera LOOP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Penicillium Expansum Chimera LOOP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:8.4 occ:1.00 H A:ASP23 2.5 7.5 1.0 HA A:LYS22 3.0 8.6 1.0 O A:HOH206 3.1 8.9 1.0 HB3 A:LYS22 3.2 9.8 1.0 HG2 A:LYS22 3.3 11.3 1.0 N A:ASP23 3.5 7.6 1.0 CA A:LYS22 3.7 8.6 1.0 CB A:LYS22 3.8 9.9 1.0 HB2 A:ASP23 3.8 9.4 1.0 CG A:LYS22 4.0 10.9 1.0 C A:LYS22 4.1 8.1 1.0 O A:ASP23 4.3 9.0 1.0 CA A:ASP23 4.5 8.4 1.0 CB A:ASP23 4.5 9.2 1.0 HD3 A:LYS22 4.6 12.3 1.0 HE3 A:LYS22 4.6 13.6 1.0 HB2 A:LYS22 4.7 9.8 1.0 HG3 A:LYS22 4.7 10.8 1.0 CD A:LYS22 4.8 12.7 1.0 O A:GLY21 4.9 8.8 1.0 C A:ASP23 4.9 8.2 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