Chlorine in PDB 2wm3: Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid

The structure of Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid, PDB code: 2wm3 was solved by C.Bhatia, W.W.Yue, F.Niesen, E.Pilka, E.Ugochukwu, P.Savitsky, V.Hozjan, A.K.Roos, P.Filippakopoulos, F.Von Delft, T.Heightman, C.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.85
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.712, 68.712, 183.789, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.7

The structure of Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid also contains other interesting chemical elements:

Fluorine

(F)

9 atoms

The binding sites of Chlorine atom in the Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid (pdb code 2wm3). 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 Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid, PDB code: 2wm3:

Chlorine binding site 1 out of 1 in the Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid


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 Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1305 b:65.3 occ:1.00 O A:ALA72 3.3 10.8 1.0 O A:HOH2077 4.0 29.6 1.0 C A:GLY71 4.3 13.5 1.0 C A:ALA72 4.3 10.0 1.0 O A:LEU104 4.3 6.9 1.0 N A:ALA72 4.4 11.0 1.0 CA A:GLY71 4.4 14.1 1.0 O A:HOH2112 4.5 22.7 1.0 O A:GLY105 4.6 8.7 1.0 N A:GLY71 4.6 14.7 1.0 O A:GLY71 4.6 13.7 1.0 NE2 A:HIS107 4.7 6.0 1.0 CD1 A:LEU106 4.8 13.3 1.0 CA A:ALA72 5.0 10.7 1.0 C A:GLY105 5.0 8.6 1.0

C.Bhatia, W.W.Yue, E.Pilka, E.Ugochukwu, P.Savitsky, V.Hozjan, A.K.Roos, P.Filippakopoulos, F.Von Delft, T.Heightman, C.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann. Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid To Be Published.