Chlorine in PDB 4yr8: Crystal Structure of Jnk in Complex with A Regulator Protein

All present enzymatic activity of Crystal Structure of Jnk in Complex with A Regulator Protein:
2.7.11.24; 3.1.3.16; 3.1.3.48;

The structure of Crystal Structure of Jnk in Complex with A Regulator Protein, PDB code: 4yr8 was solved by X.Liu, J.Wang, J.W.Wu, Z.X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.02 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.151, 74.850, 134.810, 76.94, 84.32, 67.44
R / Rfree (%)	21.7 / 23.9

The binding sites of Chlorine atom in the Crystal Structure of Jnk in Complex with A Regulator Protein (pdb code 4yr8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Jnk in Complex with A Regulator Protein, PDB code: 4yr8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Jnk in Complex with A Regulator Protein


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 Jnk in Complex with A Regulator Protein within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl401 b:30.0 occ:1.00 O G:HOH507 2.8 48.3 1.0 SG G:CYS244 3.5 20.0 1.0 NH2 G:ARG250 3.8 38.3 1.0 N G:SER249 3.9 26.3 1.0 N G:ALA246 4.0 38.1 1.0 NE G:ARG250 4.0 35.0 1.0 OD2 G:ASP213 4.0 34.1 1.0 CB G:SER249 4.2 25.1 1.0 CB G:ALA246 4.2 35.6 1.0 N G:ARG250 4.3 28.1 1.0 CG G:ASP213 4.3 28.4 1.0 CZ G:ARG250 4.4 37.6 1.0 N G:ILE248 4.4 29.3 1.0 CA G:SER249 4.5 26.4 1.0 CB G:ASP213 4.5 30.9 1.0 CA G:ALA246 4.5 37.1 1.0 O G:HOH521 4.6 56.6 1.0 N G:GLY247 4.6 40.3 1.0 CB G:CYS244 4.7 20.0 1.0 CB G:ILE248 4.8 37.8 1.0 N G:LEU245 4.8 30.0 1.0 CB G:LEU245 4.8 20.0 1.0 C G:ILE248 4.9 25.6 1.0 CA G:ILE248 4.9 27.2 1.0 C G:SER249 4.9 29.6 1.0 C G:ALA246 4.9 44.1 1.0 C G:LEU245 5.0 30.0 1.0 OD1 G:ASP213 5.0 26.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Jnk in Complex with A Regulator Protein


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 Jnk in Complex with A Regulator Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:30.0 occ:1.00 NH2 B:ARG250 3.6 20.9 1.0 N B:ALA246 3.8 33.5 1.0 SG B:CYS244 3.8 18.6 1.0 CB B:ALA246 3.9 21.4 1.0 NE B:ARG250 4.1 18.5 1.0 N B:SER249 4.1 14.9 1.0 CZ B:ARG250 4.3 20.1 1.0 OD2 B:ASP213 4.3 22.0 1.0 CB B:SER249 4.3 14.3 1.0 CA B:ALA246 4.4 22.1 1.0 N B:ILE248 4.5 23.7 1.0 N B:GLY247 4.5 25.7 1.0 CG B:ASP213 4.5 18.7 1.0 CB B:ASP213 4.6 17.4 1.0 N B:ARG250 4.6 15.0 1.0 CB B:CYS244 4.6 19.8 1.0 N B:LEU245 4.6 34.0 1.0 CA B:SER249 4.7 14.2 1.0 CB B:LEU245 4.7 31.0 1.0 C B:LEU245 4.8 32.4 1.0 CB B:ILE248 4.8 28.3 1.0 C B:ALA246 4.8 29.5 1.0 CA B:LEU245 4.8 26.4 1.0 CA B:ILE248 5.0 16.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Jnk in Complex with A Regulator Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Jnk in Complex with A Regulator Protein within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:30.0 occ:1.00 SG D:CYS244 3.3 37.8 1.0 NE D:ARG250 3.6 43.2 1.0 N D:SER249 3.8 32.4 1.0 NH2 D:ARG250 3.8 46.3 1.0 CB D:SER249 3.8 33.8 1.0 N D:ARG250 3.9 35.0 1.0 OD2 D:ASP213 4.1 41.0 1.0 CG D:ASP213 4.2 40.1 1.0 CZ D:ARG250 4.2 45.9 1.0 CA D:SER249 4.2 32.3 1.0 CB D:CYS244 4.4 40.7 1.0 CB D:ASP213 4.4 42.9 1.0 N D:ALA246 4.4 42.2 1.0 CG D:ARG250 4.6 40.3 1.0 N D:ILE248 4.6 33.1 1.0 CB D:ARG250 4.6 38.9 1.0 C D:SER249 4.6 33.1 1.0 OD1 D:ASP213 4.6 38.6 1.0 CD D:ARG250 4.7 43.1 1.0 CB D:ALA246 4.7 40.5 1.0 N D:LEU245 4.8 44.3 1.0 C D:ILE248 4.9 30.9 1.0 CB D:LEU245 4.9 47.7 1.0 CB D:ILE248 4.9 32.7 1.0 N D:GLY247 4.9 37.4 1.0 CA D:ARG250 4.9 36.3 1.0 OG D:SER249 4.9 33.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Jnk in Complex with A Regulator Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Jnk in Complex with A Regulator Protein within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl401 b:30.0 occ:1.00 SG H:CYS244 3.5 20.0 1.0 NE H:ARG250 3.7 42.5 1.0 N H:SER249 3.8 32.3 1.0 CB H:SER249 3.8 33.5 1.0 N H:ARG250 3.9 34.4 1.0 OD2 H:ASP213 3.9 44.7 1.0 NH2 H:ARG250 4.0 46.0 1.0 CG H:ASP213 4.1 46.0 1.0 CA H:SER249 4.2 32.1 1.0 CB H:ASP213 4.2 41.9 1.0 CZ H:ARG250 4.3 45.2 1.0 N H:ALA246 4.5 30.0 1.0 CB H:CYS244 4.5 20.0 1.0 N H:ILE248 4.5 33.9 1.0 CG H:ARG250 4.6 39.3 1.0 C H:SER249 4.6 32.6 1.0 CB H:ARG250 4.6 37.9 1.0 CD H:ARG250 4.7 42.0 1.0 OD1 H:ASP213 4.7 40.3 1.0 CB H:ALA246 4.7 30.0 1.0 N H:GLY247 4.8 37.5 1.0 C H:ILE248 4.8 31.1 1.0 N H:LEU245 4.9 30.0 1.0 OG H:SER249 4.9 33.6 1.0 CB H:LEU245 4.9 20.0 1.0 CA H:ARG250 4.9 35.4 1.0 CB H:ILE248 4.9 37.4 1.0

X.Liu, C.S.Zhang, C.Lu, S.C.Lin, J.W.Wu, Z.X.Wang. A Conserved Motif in Jnk/P38-Specific Mapk Phosphatases As A Determinant For JNK1 Recognition and Inactivation. Nat Commun V. 7 10879 2016.
ISSN: ESSN 2041-1723
PubMed: 26988444
DOI: 10.1038/NCOMMS10879