Chlorine in PDB 7zw2: Penicillium Expansum Antifungal Protein B

The structure of Penicillium Expansum Antifungal Protein B, PDB code: 7zw2 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)	40.09 / 1.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	46.292, 46.292, 42.366, 90, 90, 120
R / Rfree (%)	13.7 / 16.2

The binding sites of Chlorine atom in the Penicillium Expansum Antifungal Protein B (pdb code 7zw2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Penicillium Expansum Antifungal Protein B, PDB code: 7zw2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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:12.7 occ:1.00 HD21 A:ASN33 2.5 11.2 0.0 O A:HOH211 3.4 18.8 1.0 ND2 A:ASN33 3.4 11.2 1.0 HD22 A:ASN33 4.0 11.2 0.0 OD1 A:ASN33 4.2 10.6 1.0 CG A:ASN33 4.2 8.4 1.0 HB3 A:ASP32 4.9 12.1 1.0 HB2 A:ASP32 4.9 12.7 1.0

Chlorine binding site 2 out of 3 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:9.6 occ:1.00 H A:ASP23 2.4 8.8 1.0 HA A:LYS22 3.0 9.9 1.0 O A:HOH207 3.1 9.6 1.0 HG2 A:LYS22 3.1 13.3 1.0 HB3 A:LYS22 3.3 11.5 1.0 N A:ASP23 3.4 8.6 1.0 CA A:LYS22 3.7 10.1 1.0 HB2 A:ASP23 3.8 9.8 1.0 CB A:LYS22 3.8 11.4 1.0 CG A:LYS22 3.9 13.2 1.0 C A:LYS22 4.1 9.4 1.0 O A:ASP23 4.4 9.5 1.0 CA A:ASP23 4.5 8.6 1.0 HG3 A:LYS22 4.5 13.6 1.0 CB A:ASP23 4.5 9.3 1.0 HB2 A:LYS22 4.7 11.7 1.0 HD2 A:LYS22 4.8 15.3 1.0 O A:GLY21 4.8 11.5 1.0 CD A:LYS22 4.8 15.9 1.0 HD3 A:LYS22 4.9 15.8 1.0 C A:ASP23 4.9 8.1 1.0 N A:LYS22 5.0 10.6 1.0

Chlorine binding site 3 out of 3 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 3 of Penicillium Expansum Antifungal Protein B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:14.6 occ:1.00 HG A:SER30 2.2 10.6 0.0 OG A:SER30 3.0 10.6 1.0 HB2 A:SER30 3.5 9.6 1.0 CB A:SER30 3.7 9.4 1.0 HB3 A:SER30 3.9 9.3 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