Chlorine in PDB 5z6s: Crystal Structure of the Ppargamma-Lbd Complexed with Compound Ds-6930

The structure of Crystal Structure of the Ppargamma-Lbd Complexed with Compound Ds-6930, PDB code: 5z6s was solved by Y.Matsui, H.Hanzawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.657, 54.154, 66.557, 90.00, 106.82, 90.00
R / Rfree (%)	19.9 / 22.6

The binding sites of Chlorine atom in the Crystal Structure of the Ppargamma-Lbd Complexed with Compound Ds-6930 (pdb code 5z6s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Ppargamma-Lbd Complexed with Compound Ds-6930, PDB code: 5z6s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Ppargamma-Lbd Complexed with Compound Ds-6930


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 the Ppargamma-Lbd Complexed with Compound Ds-6930 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:27.0 occ:1.00 O A:HOH718 3.0 23.2 1.0 ND2 A:ASN375 3.4 15.9 1.0 O A:HOH614 3.4 26.6 1.0 CA A:ASN335 3.6 20.9 1.0 CB A:ASN375 3.7 15.9 1.0 NH2 A:ARG234 3.8 21.8 1.0 O A:HOH825 3.9 37.3 1.0 O A:MET334 4.0 17.7 1.0 O A:HOH794 4.0 47.4 1.0 CG A:ASN375 4.0 17.2 1.0 N A:LYS336 4.2 23.0 1.0 CB A:ASN335 4.2 21.8 1.0 C A:ASN335 4.3 21.1 1.0 CA A:VAL372 4.4 17.8 1.0 N A:ASN335 4.6 19.3 1.0 C A:MET334 4.7 18.7 1.0 CG2 A:VAL372 4.7 20.5 1.0 O A:ALA371 4.7 16.3 1.0 O A:VAL372 4.9 19.1 1.0 CZ A:ARG234 4.9 23.6 1.0 O A:HOH827 4.9 43.0 1.0 CB A:VAL372 5.0 18.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Ppargamma-Lbd Complexed with Compound Ds-6930


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 the Ppargamma-Lbd Complexed with Compound Ds-6930 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:29.4 occ:1.00 O A:HOH661 3.3 36.2 1.0 NH1 A:ARG397 3.4 11.8 1.0 CD A:ARG397 3.7 14.3 1.0 CD A:PRO398 3.7 16.5 1.0 CB A:TYR320 4.3 16.5 1.0 CG A:PRO398 4.4 19.6 1.0 CA A:ARG397 4.4 13.8 1.0 CZ A:ARG397 4.4 12.3 1.0 CD1 A:TYR320 4.4 18.5 1.0 NH1 A:ARG443 4.4 21.0 1.0 NE A:ARG397 4.5 11.8 1.0 CG A:TYR320 4.5 18.2 1.0 CZ A:ARG443 4.7 21.6 1.0 N A:PRO398 4.8 15.1 1.0 CB A:ARG397 4.8 12.1 1.0 O A:ASP396 4.9 15.9 1.0 CG A:ARG397 4.9 13.0 1.0 O A:TYR320 4.9 19.3 1.0 O A:HOH612 4.9 24.9 1.0

T.Shinozuka, T.Tsukada, K.Fujii, E.Tokumaru, K.Shimada, Y.Onishi, Y.Matsui, S.Wakimoto, M.Kuroha, T.Ogata, K.Araki, J.Ohsumi, R.Sawamura, N.Watanabe, H.Yamamoto, K.Fujimoto, Y.Tani, M.Mori, J.Tanaka. Discovery of Ds-6930, A Potent Selective Ppar Gamma Modulator. Part II: Lead Optimization. Bioorg. Med. Chem. V. 26 5099 2018.
ISSN: ESSN 1464-3391
PubMed: 30220602
DOI: 10.1016/J.BMC.2018.09.005