Chlorine in PDB 9f50: UP1 in Complex with Z906021418

The structure of UP1 in Complex with Z906021418, PDB code: 9f50 was solved by L.Dunnett, F.Prischi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.91 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.019, 43.907, 56.168, 90, 94.36, 90
R / Rfree (%)	17.4 / 19.2

The binding sites of Chlorine atom in the UP1 in Complex with Z906021418 (pdb code 9f50). 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 UP1 in Complex with Z906021418, PDB code: 9f50:

Chlorine binding site 1 out of 1 in the UP1 in Complex with Z906021418


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of UP1 in Complex with Z906021418 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:46.0 occ:0.68 CL A:K2G201 0.0 46.0 0.7 C5 A:K2G201 1.7 29.8 0.7 O A:K2G201 2.7 22.3 0.7 C4 A:K2G201 2.7 30.2 0.7 C6 A:K2G201 2.7 30.8 0.7 O A:HOH424 2.8 41.4 1.0 C7 A:K2G201 3.1 25.6 0.7 CE1 A:PHE150 3.8 18.9 1.0 N A:K2G201 4.0 36.1 0.7 N1 A:K2G201 4.0 31.2 0.7 CA A:ALA180 4.1 20.5 1.0 CB A:ALA180 4.1 19.1 1.0 N A:LEU181 4.2 33.3 1.0 CZ A:PHE150 4.2 18.2 1.0 N2 A:K2G201 4.4 36.9 0.7 C3 A:K2G201 4.4 31.0 0.7 CB A:PHE108 4.5 14.6 1.0 C A:ALA180 4.7 27.7 1.0 O A:LYS179 4.8 20.2 1.0 CD1 A:PHE150 4.9 15.2 1.0 CG A:PHE108 5.0 16.0 1.0

L.Dunnett, F.Prischi. Enhanced Identification of Small Molecules Binding to Hnrnp A1 Via in Silico Hotspot and Cryptic Pockets Mapping Coupled with X-Ray Fragment Screening To Be Published.