Chlorine in PDB 4jys: Crystal Structure of FKBP25 From Plasmodium Vivax

The structure of Crystal Structure of FKBP25 From Plasmodium Vivax, PDB code: 4jys was solved by R.Sreekanth, H.S.Yoon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.600, 61.910, 99.960, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of FKBP25 From Plasmodium Vivax (pdb code 4jys). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of FKBP25 From Plasmodium Vivax, PDB code: 4jys:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of FKBP25 From Plasmodium Vivax


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 FKBP25 From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:21.5 occ:1.00 O B:HOH509 3.0 39.8 1.0 N B:SER174 3.3 18.7 1.0 NE2 B:GLN175 3.4 21.2 1.0 C B:PHE172 3.5 18.3 1.0 CA B:PHE172 3.6 19.5 1.0 N B:PRO173 3.6 19.7 1.0 CD B:PRO173 3.7 22.1 1.0 CG B:GLN175 3.7 21.6 1.0 CB B:SER174 3.7 20.2 1.0 N B:GLN175 3.8 21.2 1.0 O B:HOH503 3.9 42.8 1.0 CA B:SER174 4.0 20.3 1.0 CD B:GLN175 4.0 24.8 1.0 CB B:PHE172 4.1 20.3 1.0 CB B:GLN175 4.1 20.7 1.0 O B:PHE172 4.2 19.9 1.0 C B:SER174 4.3 21.6 1.0 CG B:PRO173 4.3 23.2 1.0 C B:PRO173 4.3 19.8 1.0 OG B:SER174 4.4 22.8 1.0 CA B:PRO173 4.5 20.4 1.0 CD1 B:PHE172 4.6 23.4 1.0 CA B:GLN175 4.6 18.2 1.0 CG B:PHE172 4.8 20.4 1.0 N B:PHE172 4.9 19.8 1.0 O B:HIS171 4.9 21.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of FKBP25 From Plasmodium Vivax


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 FKBP25 From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:21.8 occ:1.00 N B:ASN170 3.2 21.1 1.0 ND2 B:ASN170 3.4 20.5 1.0 C B:TYR168 3.5 19.1 1.0 CA B:TYR168 3.5 18.7 1.0 N B:PRO169 3.5 21.1 1.0 CB B:ASN170 3.6 21.0 1.0 CD B:PRO169 3.6 20.3 1.0 ND1 B:HIS171 3.7 23.5 1.0 CA B:ASN170 3.9 21.9 1.0 CG B:ASN170 4.0 21.9 1.0 CB B:TYR168 4.1 18.7 1.0 CG B:PRO169 4.1 21.4 1.0 O B:TYR168 4.2 18.3 1.0 N B:HIS171 4.2 21.4 1.0 C B:PRO169 4.3 23.7 1.0 CD1 B:TYR168 4.3 16.1 1.0 C B:ASN170 4.4 24.7 1.0 CE1 B:HIS171 4.4 21.0 1.0 CA B:PRO169 4.4 21.1 1.0 O B:ALA167 4.6 21.4 1.0 CG B:TYR168 4.7 18.1 1.0 CG B:HIS171 4.8 21.4 1.0 N B:TYR168 4.8 18.6 1.0 CB B:PRO169 4.9 22.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of FKBP25 From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of FKBP25 From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:29.6 occ:1.00 O B:HOH401 3.0 47.9 1.0 NH1 B:ARG157 3.2 16.5 1.0 O B:HOH456 3.4 21.8 1.0 CD B:ARG157 3.8 14.6 1.0 O B:HOH486 4.1 47.4 1.0 CB B:LEU91 4.1 17.6 1.0 O B:HOH477 4.1 32.1 1.0 CD1 B:LEU91 4.2 18.6 1.0 CZ B:ARG157 4.2 18.3 1.0 CG1 B:ILE92 4.4 16.8 1.0 NE B:ARG157 4.5 15.6 1.0 CD1 B:ILE92 4.5 16.6 1.0 CG B:LEU91 4.8 19.1 1.0 OE1 B:GLU180 4.9 18.1 1.0 O B:LEU91 4.9 18.0 1.0 O B:HOH457 4.9 37.8 1.0

S.Rajan, D.Austin, A.Harikishore, Q.T.Nguyen, K.Baek, H.S.Yoon. Crystal Structure of Plasmodium Vivax FK506-Binding Protein 25 Reveals Conformational Changes Responsible For Its Noncanonical Activity Proteins 2013.
ISSN: ESSN 1097-0134
PubMed: 24302348
DOI: 10.1002/PROT.24487