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Chlorine in PDB 4y6r: Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese

Enzymatic activity of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese

All present enzymatic activity of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese:
1.1.1.267;

Protein crystallography data

The structure of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese, PDB code: 4y6r was solved by S.Sooriyaarachchi, T.Bergfors, T.A.Jones, S.L.Mowbray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.08 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 51.399, 54.852, 85.208, 89.64, 105.40, 107.61
R / Rfree (%) 18.7 / 21.8

Other elements in 4y6r:

The structure of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese (pdb code 4y6r). 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 Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese, PDB code: 4y6r:

Chlorine binding site 1 out of 1 in 4y6r

Go back to Chlorine Binding Sites List in 4y6r
Chlorine binding site 1 out of 1 in the Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Plasmodium Falciparum Dxr in Complex with A Beta- Substituted Fosmidomycin Analogue, RC137, and Manganese within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:43.1
occ:1.00
 N A:GLY299 3.7 26.5 1.0
O A:HOH691 3.9 22.5 1.0
CG2 A:ILE302 4.3 21.2 1.0
CA A:GLY299 4.3 26.1 1.0
SD A:MET298 4.3 34.3 1.0
O A:HOH745 4.4 45.8 1.0
CB A:SER88 4.6 29.6 1.0
CB A:MET298 4.6 31.9 1.0
CA A:MET298 4.6 30.9 1.0
OG A:SER88 4.7 34.2 1.0
C A:MET298 4.7 28.8 1.0

Reference:

R.Chofor, S.Sooriyaarachchi, M.D.Risseeuw, T.Bergfors, J.Pouyez, C.Johny, A.Haymond, A.Everaert, C.S.Dowd, L.Maes, T.Coenye, A.Alex, R.D.Couch, T.A.Jones, J.Wouters, S.L.Mowbray, S.Van Calenbergh. Synthesis and Bioactivity of Beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25781377
DOI: 10.1021/JM5014264
Page generated: Sat Dec 12 11:22:14 2020

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