Chlorine in PDB 5n8v: Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases.

The structure of Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases., PDB code: 5n8v was solved by M.Dawidowski, L.Emmanouilidis, M.Sattler, G.M.Popowicz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.760, 116.060, 38.820, 90.00, 101.86, 90.00
R / Rfree (%)	19.5 / 21.7

The binding sites of Chlorine atom in the Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases. (pdb code 5n8v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases., PDB code: 5n8v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl106 b:48.7 occ:1.00 NE2 A:HIS33 3.5 26.4 1.0 CD2 A:HIS33 3.8 25.8 1.0 CB A:SER29 4.2 25.2 1.0 OG A:SER29 4.3 26.3 1.0 CE1 A:HIS33 4.7 27.1 1.0

Chlorine binding site 2 out of 2 in the Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Targeting the PEX14-PEX5 Interaction By Small Molecules Provides Novel Therapeutic Routes to Treat Trypanosomiases. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:45.8 occ:1.00 N B:THR28 3.2 26.2 1.0 OG1 B:THR28 3.3 26.4 1.0 O B:HOH234 3.6 33.7 1.0 CA B:PRO27 3.8 24.8 1.0 CB B:THR28 3.8 24.8 1.0 O B:HOH220 3.9 40.7 1.0 C B:PRO27 4.0 24.4 1.0 CA B:THR28 4.1 25.7 1.0 CB B:PRO27 4.1 25.0 1.0 O B:HOH211 4.2 37.2 1.0

M.Dawidowski, L.Emmanouilidis, V.C.Kalel, K.Tripsianes, K.Schorpp, K.Hadian, M.Kaiser, P.Maser, M.Kolonko, S.Tanghe, A.Rodriguez, W.Schliebs, R.Erdmann, M.Sattler, G.M.Popowicz. Inhibitors of PEX14 Disrupt Protein Import Into Glycosomes and Kill Trypanosoma Parasites. Science V. 355 1416 2017.
ISSN: ESSN 1095-9203
PubMed: 28360328
DOI: 10.1126/SCIENCE.AAL1807