Chlorine in PDB 2bla: SP21 Double Mutant P. Vivax Dihydrofolate Reductase in Complex with Pyrimethamine

All present enzymatic activity of SP21 Double Mutant P. Vivax Dihydrofolate Reductase in Complex with Pyrimethamine:
1.5.1.3;

The structure of SP21 Double Mutant P. Vivax Dihydrofolate Reductase in Complex with Pyrimethamine, PDB code: 2bla was solved by P.Kongsaeree, P.Khongsuk, U.Leartsakulpanich, P.Chitnumsub, B.Tarnchompoo, M.D.Walkinshaw, Y.Yuthavong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.270, 54.400, 46.090, 90.00, 108.13, 90.00
R / Rfree (%)	19.4 / 28.2

The binding sites of Chlorine atom in the SP21 Double Mutant P. Vivax Dihydrofolate Reductase in Complex with Pyrimethamine (pdb code 2bla). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the SP21 Double Mutant P. Vivax Dihydrofolate Reductase in Complex with Pyrimethamine, PDB code: 2bla:

Chlorine binding site 1 out of 1 in the SP21 Double Mutant P. Vivax Dihydrofolate Reductase in Complex with Pyrimethamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SP21 Double Mutant P. Vivax Dihydrofolate Reductase in Complex with Pyrimethamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:15.9 occ:1.00 CL1 A:CP6302 0.0 15.9 1.0 C10 A:CP6302 1.6 28.7 1.0 C11 A:CP6302 2.6 35.3 1.0 C9 A:CP6302 2.7 52.1 1.0 O A:ASN117 3.1 37.1 1.0 ND2 A:ASN117 3.5 36.3 1.0 CB A:ASN117 3.5 43.9 1.0 C A:ASN117 3.7 39.8 1.0 CG1 A:ILE121 3.8 41.8 1.0 CA A:ASN117 3.8 39.7 1.0 CG A:ASN117 3.8 36.7 1.0 C6 A:MES303 3.9 54.4 1.0 C12 A:CP6302 4.0 17.9 1.0 OG A:SER120 4.0 58.0 1.0 C8 A:CP6302 4.0 33.9 1.0 CD1 A:ILE121 4.3 31.1 1.0 C5 A:MES303 4.4 50.7 1.0 SD A:MET113 4.5 45.9 1.0 C7 A:CP6302 4.6 36.1 1.0 CD1 A:ILE173 4.6 21.9 1.0 N A:TRP118 4.7 30.1 1.0 OD1 A:ASN117 4.9 56.1 1.0

P.Kongsaeree, P.Khongsuk, U.Leartsakulpanich, P.Chitnumsub, B.Tarnchompoo, M.D.Walkinshaw, Y.Yuthavong. Crystal Structure of Dihydrofolate Reductase From Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance. Proc.Natl.Acad.Sci.Usa V. 102 13046 2005.
ISSN: ISSN 0027-8424
PubMed: 16135570
DOI: 10.1073/PNAS.0501747102