Chlorine in PDB 2wmd: Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Nadp and 2-(4-Chloro-Phenylamino)-Nicotinic Acid

The structure of Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Nadp and 2-(4-Chloro-Phenylamino)-Nicotinic Acid, PDB code: 2wmd was solved by C.Bhatia, E.Pilka, F.Niesen, W.W.Yue, 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 / 2.00
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.722, 79.734, 86.362, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Nadp and 2-(4-Chloro-Phenylamino)-Nicotinic Acid (pdb code 2wmd). 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 Nadp and 2-(4-Chloro-Phenylamino)-Nicotinic Acid, PDB code: 2wmd:

Chlorine binding site 1 out of 1 in the Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Nadp and 2-(4-Chloro-Phenylamino)-Nicotinic 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 Nadp and 2-(4-Chloro-Phenylamino)-Nicotinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1299 b:26.5 occ:1.00 CL1 A:ZZ01299 0.0 26.5 1.0 C5 A:ZZ01299 1.7 20.4 1.0 C9 A:ZZ01299 2.7 17.3 1.0 C10 A:ZZ01299 2.7 18.7 1.0 OH A:TYR246 3.4 18.2 1.0 ND1 A:HIS162 3.5 11.9 1.0 CB A:HIS162 3.7 12.8 1.0 CG A:HIS162 3.7 12.1 1.0 O A:HOH2214 3.9 12.5 1.0 C7 A:ZZ01299 3.9 20.8 1.0 C8 A:ZZ01299 4.0 19.0 1.0 O A:HOH2105 4.0 40.8 1.0 CE1 A:PHE251 4.1 20.1 1.0 CZ A:PHE251 4.2 23.3 1.0 CE1 A:HIS162 4.3 16.4 1.0 CD1 A:LEU257 4.4 11.2 1.0 C4 A:ZZ01299 4.5 19.3 1.0 CA A:HIS162 4.6 11.6 1.0 CD2 A:HIS162 4.6 17.1 1.0 CZ A:TYR246 4.8 16.3 1.0 NE2 A:HIS162 4.9 13.7 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 To Be Published.