Chlorine in PDB 4f1k: Crystal Structure of the MG2+ Free Vwa Domain of Plasmodium Falciparum Trap Protein

The structure of Crystal Structure of the MG2+ Free Vwa Domain of Plasmodium Falciparum Trap Protein, PDB code: 4f1k 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 / 1.87
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.434, 89.434, 104.232, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.7

The binding sites of Chlorine atom in the Crystal Structure of the MG2+ Free Vwa Domain of Plasmodium Falciparum Trap Protein (pdb code 4f1k). 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+ Free Vwa Domain of Plasmodium Falciparum Trap Protein, PDB code: 4f1k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the MG2+ Free 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+ Free Vwa Domain of Plasmodium Falciparum Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:15.6 occ:1.00 OG A:SER134 3.1 17.6 1.0 N A:SER134 3.3 13.8 1.0 N A:SER167 3.3 18.7 1.0 OG A:SER171 3.4 17.6 1.0 N A:LEU133 3.4 13.2 1.0 CB A:SER134 3.6 15.3 1.0 O A:SER167 3.6 20.9 1.0 N A:ASP166 3.7 16.6 1.0 O A:THR131 3.7 15.7 1.0 O A:HOH451 3.8 27.3 1.0 CB A:ASP166 3.9 18.3 1.0 OD1 A:ASN132 3.9 12.9 1.0 CB A:PRO165 3.9 15.3 1.0 CA A:ASN132 3.9 13.8 1.0 C A:ASN132 3.9 14.2 1.0 CA A:SER167 4.0 20.1 1.0 CB A:SER167 4.0 20.0 1.0 CA A:SER134 4.0 13.6 1.0 C A:SER167 4.2 21.0 1.0 CA A:ASP166 4.2 17.3 1.0 CA A:LEU133 4.2 13.2 1.0 C A:LEU133 4.2 13.3 1.0 C A:ASP166 4.2 17.6 1.0 C A:PRO165 4.3 16.1 1.0 CB A:LEU133 4.4 12.9 1.0 CA A:PRO165 4.4 15.8 1.0 CG A:ASP166 4.6 20.9 1.0 C A:THR131 4.7 14.4 1.0 OD2 A:ASP166 4.7 24.8 1.0 CG A:ASN132 4.7 11.6 1.0 CB A:SER171 4.7 20.9 1.0 N A:ASN132 4.8 14.6 1.0 O A:ASN132 4.8 13.1 1.0 N A:SER171 4.9 22.2 1.0 CB A:ASN132 4.9 14.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the MG2+ Free 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+ Free Vwa Domain of Plasmodium Falciparum Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:16.7 occ:1.00 N B:SER167 3.2 17.8 1.0 OG B:SER134 3.2 16.0 1.0 N B:SER134 3.4 13.8 1.0 OG B:SER171 3.5 15.2 1.0 N B:LEU133 3.5 13.7 1.0 O B:SER167 3.6 17.5 1.0 O B:THR131 3.6 14.7 1.0 N B:ASP166 3.7 15.6 1.0 CB B:SER134 3.7 15.0 1.0 OD1 B:ASN132 3.8 13.4 1.0 CA B:ASN132 3.8 14.5 1.0 CA B:SER167 3.9 18.9 1.0 CB B:PRO165 3.9 14.7 1.0 CB B:SER167 4.0 19.4 1.0 C B:ASN132 4.0 13.7 1.0 C B:SER167 4.1 20.0 1.0 CA B:SER134 4.2 13.9 1.0 C B:ASP166 4.2 17.0 1.0 CA B:ASP166 4.2 17.5 1.0 CB B:ASP166 4.3 17.6 1.0 CA B:LEU133 4.3 12.9 1.0 C B:LEU133 4.3 13.0 1.0 C B:PRO165 4.3 15.3 1.0 CA B:PRO165 4.4 14.4 1.0 CB B:LEU133 4.5 13.0 1.0 C B:THR131 4.6 14.8 1.0 CG B:ASN132 4.7 13.4 1.0 N B:ASN132 4.7 14.8 1.0 CB B:SER171 4.8 19.4 1.0 CB B:ASN132 4.8 14.3 1.0 O B:ASN132 4.9 13.5 1.0

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