Chlorine in PDB 5g42: Ligand Complex of Rorg Lbd

The structure of Ligand Complex of Rorg Lbd, PDB code: 5g42 was solved by Y.Xue, H.Guo, P.Hillertz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.88 / 1.72
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.060, 62.060, 159.120, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21.2

The structure of Ligand Complex of Rorg Lbd also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Ligand Complex of Rorg Lbd (pdb code 5g42). 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 Ligand Complex of Rorg Lbd, PDB code: 5g42:

Chlorine binding site 1 out of 1 in the Ligand Complex of Rorg Lbd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ligand Complex of Rorg Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1510 b:49.4 occ:1.00 CL1 A:4TU1510 0.0 49.4 1.0 C6 A:4TU1510 1.7 42.5 1.0 C3 A:4TU1510 2.6 40.2 1.0 C2 A:4TU1510 2.7 37.4 1.0 CB A:CYS320 3.5 24.4 1.0 SG A:CYS320 3.5 27.8 1.0 O A:HOH2245 3.6 57.7 1.0 O A:HOH2146 3.9 57.3 1.0 C4 A:4TU1510 3.9 40.4 1.0 C1 A:4TU1510 4.0 38.5 1.0 CD1 A:LEU391 4.1 24.5 1.0 O A:HOH2061 4.3 54.3 1.0 CD1 A:ILE397 4.3 35.8 1.0 CE1 A:PHE388 4.4 26.3 1.0 CD1 A:PHE388 4.4 23.4 1.0 C5 A:4TU1510 4.5 39.5 1.0 CA A:CYS320 4.6 23.1 1.0

Y.Xue, H.Guo, P.Hillertz. Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem V. 11 1881 2016.
ISSN: ISSN 1860-7179
PubMed: 27432277
DOI: 10.1002/CMDC.201600242