Chlorine in PDB 5ntp: Structural States of Rorgt: X-Ray Elucidation of Molecular Mechanisms and Binding Interactions For Natural and Synthetic Compounds

The structure of Structural States of Rorgt: X-Ray Elucidation of Molecular Mechanisms and Binding Interactions For Natural and Synthetic Compounds, PDB code: 5ntp was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.50 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	72.310, 128.372, 46.304, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.7

The binding sites of Chlorine atom in the Structural States of Rorgt: X-Ray Elucidation of Molecular Mechanisms and Binding Interactions For Natural and Synthetic Compounds (pdb code 5ntp). 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 Structural States of Rorgt: X-Ray Elucidation of Molecular Mechanisms and Binding Interactions For Natural and Synthetic Compounds, PDB code: 5ntp:

Chlorine binding site 1 out of 1 in the Structural States of Rorgt: X-Ray Elucidation of Molecular Mechanisms and Binding Interactions For Natural and Synthetic Compounds


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural States of Rorgt: X-Ray Elucidation of Molecular Mechanisms and Binding Interactions For Natural and Synthetic Compounds within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:15.8 occ:1.00 CL A:98E501 0.0 15.8 1.0 C17 A:98E501 1.7 15.2 1.0 C18 A:98E501 2.7 15.2 1.0 C16 A:98E501 2.7 15.2 1.0 OG A:SER404 2.9 15.4 1.0 CB A:SER404 3.5 14.2 1.0 CB A:MET365 3.7 17.2 1.0 O A:MET365 3.7 16.1 1.0 CG1 A:VAL376 3.8 13.8 1.0 CB A:TYR369 4.0 14.6 1.0 C19 A:98E501 4.0 15.3 1.0 C A:MET365 4.0 16.3 1.0 C15 A:98E501 4.0 15.5 1.0 CG2 A:ILE400 4.2 14.9 1.0 CD1 A:TYR369 4.2 14.8 1.0 CA A:MET365 4.5 16.3 1.0 SD A:MET365 4.5 20.9 1.0 CG A:TYR369 4.5 15.0 1.0 O A:ILE400 4.5 14.4 1.0 CG A:MET365 4.5 18.5 1.0 C20 A:98E501 4.5 15.2 1.0 N A:CYS366 4.6 16.3 1.0 CB A:VAL376 4.7 13.6 1.0 CA A:TYR369 4.8 14.4 1.0 CA A:CYS366 4.9 17.1 1.0 CA A:SER404 5.0 14.3 1.0

J.Kallen, A.Izaac, C.Be, L.Arista, D.Orain, K.Kaupmann, C.Guntermann, K.Hoegenauer, S.Hintermann. Structural States of Ror Gamma T: X-Ray Elucidation of Molecular Mechanisms and Binding Interactions For Natural and Synthetic Compounds. Chemmedchem V. 12 1014 2017.
ISSN: ESSN 1860-7187
PubMed: 28590087
DOI: 10.1002/CMDC.201700278