Chlorine in PDB 4f1j: Crystal Structure of the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein

The structure of Crystal Structure of the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein, PDB code: 4f1j was solved by T.Pihlajamaa, J.Knuuti, T.Kajander, A.Sharma, P.Permi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.73
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.313, 89.313, 104.192, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.8

The structure of Crystal Structure of the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein (pdb code 4f1j). 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 the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein, PDB code: 4f1j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein


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 the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:11.1 occ:1.00 OG A:SER134 3.1 11.5 1.0 N A:SER167 3.2 12.8 1.0 O A:HOH450 3.3 23.6 1.0 N A:SER134 3.3 8.7 1.0 OG A:SER171 3.4 14.2 1.0 N A:LEU133 3.5 9.3 1.0 CB A:SER134 3.6 9.6 1.0 O A:SER167 3.7 14.8 1.0 O A:THR131 3.7 9.9 1.0 N A:ASP166 3.7 11.2 1.0 CB A:SER167 3.9 13.9 1.0 OD1 A:ASN132 3.9 9.6 1.0 CA A:ASN132 3.9 8.8 1.0 CA A:SER167 3.9 14.1 1.0 CB A:PRO165 3.9 12.0 1.0 C A:ASN132 4.0 8.8 1.0 CA A:SER134 4.0 8.9 1.0 C A:SER167 4.1 15.5 1.0 O A:HOH588 4.2 37.9 1.0 C A:ASP166 4.2 12.8 1.0 C A:LEU133 4.2 9.5 1.0 CA A:LEU133 4.3 9.0 1.0 CA A:ASP166 4.3 12.1 1.0 C A:PRO165 4.3 12.2 1.0 CB A:ASP166 4.3 12.8 1.0 CA A:PRO165 4.4 12.2 1.0 CB A:LEU133 4.4 8.8 1.0 C A:THR131 4.6 9.6 1.0 CG A:ASN132 4.7 8.0 1.0 O A:HOH458 4.7 25.6 1.0 CB A:SER171 4.7 16.5 1.0 N A:ASN132 4.8 9.4 1.0 O A:ASN132 4.9 8.4 1.0 MG A:MG306 4.9 15.5 0.5 CB A:ASN132 4.9 8.7 1.0 OG A:SER167 5.0 17.2 1.0 N A:SER171 5.0 16.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein


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 the MG2+ Loaded Vwa Domain of Plasmodium Falciparum Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl311 b:11.4 occ:1.00 OG B:SER134 3.2 10.8 1.0 O B:HOH511 3.2 29.1 1.0 N B:SER167 3.2 13.6 1.0 N B:SER134 3.3 8.9 1.0 OG B:SER171 3.4 11.4 1.0 N B:LEU133 3.5 8.7 1.0 CB B:SER134 3.6 9.7 1.0 O B:THR131 3.7 8.8 1.0 O B:SER167 3.7 13.1 1.0 N B:ASP166 3.8 11.8 1.0 CB B:SER167 3.8 14.3 1.0 OD1 B:ASN132 3.9 12.3 1.0 CA B:SER167 3.9 14.0 1.0 CA B:ASN132 3.9 9.3 1.0 C B:ASN132 4.0 9.2 1.0 CB B:PRO165 4.0 12.3 1.0 CA B:SER134 4.0 8.8 1.0 C B:SER167 4.1 15.1 1.0 O B:HOH594 4.1 33.2 1.0 C B:ASP166 4.2 13.0 1.0 C B:LEU133 4.3 8.7 1.0 CA B:ASP166 4.3 12.7 1.0 CA B:LEU133 4.3 8.7 1.0 C B:PRO165 4.4 12.3 1.0 CB B:ASP166 4.4 13.1 1.0 CA B:PRO165 4.5 11.6 1.0 CB B:LEU133 4.5 8.7 1.0 C B:THR131 4.6 9.7 1.0 CG B:ASN132 4.7 10.0 1.0 N B:ASN132 4.8 9.2 1.0 CB B:SER171 4.8 14.9 1.0 O B:HOH509 4.8 21.0 1.0 O B:ASN132 4.9 9.2 1.0 CB B:ASN132 4.9 9.7 1.0 MG B:MG305 5.0 15.7 0.5

T.Pihlajamaa, T.Kajander, J.Knuuti, K.Horkka, A.Sharma, P.Permi. Structure of Plasmodium Falciparum Trap (Thrombospondin-Related Anonymous Protein) A Domain Highlights Distinct Features in Apicomplexan Von Willebrand Factor A Homologues. Biochem.J. V. 450 469 2013.
ISSN: ISSN 0264-6021
PubMed: 23317521
DOI: 10.1042/BJ20121058