Chlorine 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:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum, PDB code: 4ys4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of PF41 Tandem 6-Cys Domains From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl404 b:35.9 occ:1.00 ZN A:ZN402 2.3 39.8 1.0 N A:LYS323 3.3 34.1 1.0 CB A:TYR93 3.6 31.2 1.0 NE2 A:HIS324 3.6 41.3 1.0 CA A:ASN322 3.8 30.8 1.0 CA A:TYR93 3.9 32.2 1.0 CD2 A:HIS324 4.0 36.2 1.0 CE A:LYS323 4.0 48.6 1.0 CB A:LYS323 4.0 37.1 1.0 CL A:CL405 4.0 48.9 1.0 C A:ASN322 4.1 31.6 1.0 ND2 A:ASN322 4.1 32.9 1.0 CG A:ASN322 4.1 28.4 1.0 CA A:LYS323 4.2 34.0 1.0 O A:THR321 4.2 32.3 1.0 CE1 A:HIS324 4.3 38.1 1.0 N A:GLY94 4.3 34.8 1.0 OD1 A:ASN322 4.4 36.4 1.0 C A:TYR93 4.5 31.9 1.0 NZ A:LYS323 4.5 45.1 1.0 CB A:ASN322 4.5 31.9 1.0 CD A:LYS323 4.6 43.8 1.0 CG A:HIS324 4.7 38.6 1.0 CG A:LYS323 4.8 41.0 1.0 ND1 A:HIS324 4.9 37.2 1.0 N A:HIS324 4.9 36.1 1.0 O A:VAL92 4.9 33.1 1.0 N A:ASN322 4.9 32.9 1.0 C A:LYS323 5.0 35.6 1.0 C A:THR321 5.0 26.4 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl405 b:48.9 occ:1.00 ZN A:ZN402 2.5 39.8 1.0 N A:GLY94 3.2 34.8 1.0 NE2 A:HIS324 3.4 41.3 1.0 CD2 A:HIS324 3.4 36.2 1.0 ND2 A:ASN322 3.6 32.9 1.0 CA A:GLY94 3.9 37.2 1.0 O A:HOH554 4.0 41.5 1.0 CL A:CL404 4.0 35.9 1.0 CA A:TYR93 4.1 32.2 1.0 C A:TYR93 4.1 31.9 1.0 CE1 A:HIS66 4.2 49.8 1.0 NE2 A:HIS66 4.3 54.3 1.0 O A:VAL92 4.5 33.1 1.0 O A:GLY94 4.5 34.8 1.0 CG A:ASN322 4.6 28.4 1.0 CE1 A:HIS324 4.7 38.1 1.0 C A:GLY94 4.8 31.1 1.0 CG A:HIS324 4.8 38.6 1.0 N A:TYR93 4.8 31.6 1.0 C A:VAL92 4.9 31.8 1.0 OD1 A:ASN322 5.0 36.4 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