Zinc in PDB 4ys4: Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum

The structure of Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum, PDB code: 4ys4 was solved by M.L.Parker, F.Peng, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.30 / 2.45
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	133.760, 133.760, 133.760, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.8

The structure of Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum (pdb code 4ys4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum, PDB code: 4ys4:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum


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 PF41 Tandem 6-Cys Domains From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:37.8 occ:1.00 OD2 A:ASP134 1.9 35.8 1.0 OD2 A:ASP132 2.0 34.9 1.0 CG A:ASP134 2.8 40.1 1.0 OD1 A:ASP134 3.0 42.3 1.0 CG A:ASP132 3.0 43.2 1.0 OD1 A:ASP132 3.4 44.7 1.0 CB A:ASP134 4.2 41.7 1.0 CB A:ASP132 4.4 37.5 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum


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 PF41 Tandem 6-Cys Domains From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:39.8 occ:1.00 NE2 A:HIS324 2.0 41.3 1.0 CL A:CL404 2.3 35.9 1.0 CL A:CL405 2.5 48.9 1.0 CD2 A:HIS324 2.8 36.2 1.0 CE1 A:HIS324 3.0 38.1 1.0 N A:GLY94 3.7 34.8 1.0 CG A:HIS324 3.9 38.6 1.0 ND1 A:HIS324 4.0 37.2 1.0 ND2 A:ASN322 4.4 32.9 1.0 CA A:GLY94 4.5 37.2 1.0 CA A:TYR93 4.5 32.2 1.0 C A:TYR93 4.6 31.9 1.0 CG A:ASN322 4.8 28.4 1.0 N A:LYS323 4.9 34.1 1.0 OD1 A:ASN322 4.9 36.4 1.0 CB A:TYR93 4.9 31.2 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:0.5 occ:1.00 ND1 A:HIS336 2.1 76.2 1.0 O A:HOH553 2.8 67.0 1.0 CE1 A:HIS336 2.9 69.7 1.0 CG A:HIS336 3.2 68.5 1.0 CB A:HIS336 3.7 52.1 1.0 NE2 A:HIS336 4.1 63.7 1.0 CD2 A:HIS336 4.2 64.4 1.0 N A:HIS336 4.6 51.4 1.0 CA A:HIS336 4.8 50.4 1.0

M.L.Parker, F.Peng, M.J.Boulanger. The Structure of Plasmodium Falciparum Blood-Stage 6-Cys Protein PF41 Reveals An Unexpected Intra-Domain Insertion Required For PF12 Coordination. Plos One V. 10 39407 2015.
ISSN: ESSN 1932-6203
PubMed: 26414347
DOI: 10.1371/JOURNAL.PONE.0139407