Chlorine in PDB 3oht: Crystal Structure of Salmo Salar P38ALPHA

The structure of Crystal Structure of Salmo Salar P38ALPHA, PDB code: 3oht was solved by U.Rothweiler, K.Johnson, R.A.Engh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.780, 100.930, 67.890, 90.00, 98.15, 90.00
R / Rfree (%)	23.2 / 28.9

The binding sites of Chlorine atom in the Crystal Structure of Salmo Salar P38ALPHA (pdb code 3oht). 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 Salmo Salar P38ALPHA, PDB code: 3oht:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Salmo Salar P38ALPHA


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 Salmo Salar P38ALPHA within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1000 b:35.7 occ:1.00 CL A:1N11000 0.0 35.7 1.0 C5 A:1N11000 1.7 34.6 1.0 C6 A:1N11000 2.7 34.2 1.0 C4 A:1N11000 2.7 34.1 1.0 N2 A:1N11000 2.9 33.5 1.0 C3 A:1N11000 3.4 34.7 1.0 OD2 A:ASP169 3.4 35.2 1.0 O A:1N11000 3.6 32.7 1.0 CB A:LEU168 3.8 35.0 1.0 N A:ASP169 3.8 35.1 1.0 CG1 A:ILE85 3.9 32.2 1.0 CG A:ASP169 3.9 35.1 1.0 CG2 A:ILE85 4.0 32.4 1.0 C7 A:1N11000 4.0 33.7 1.0 C9 A:1N11000 4.0 33.8 1.0 CD2 A:LEU168 4.0 34.8 1.0 CA A:LEU168 4.2 35.2 1.0 CE1 A:PHE170 4.2 36.1 1.0 CD1 A:PHE170 4.3 35.7 1.0 CG A:LEU168 4.3 35.0 1.0 C2 A:1N11000 4.3 37.1 1.0 CB A:ILE85 4.4 32.6 1.0 OD1 A:ASP169 4.5 34.3 1.0 CD1 A:LEU168 4.5 35.3 1.0 C A:LEU168 4.5 35.1 1.0 C8 A:1N11000 4.5 33.3 1.0 CB A:ASP169 4.6 35.1 1.0 CA A:ASP169 4.7 35.2 1.0 CD1 A:ILE85 4.7 31.8 1.0 C1 A:1N11000 4.8 38.4 1.0 OG1 A:THR107 4.9 36.0 1.0 CG2 A:THR107 5.0 36.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Salmo Salar P38ALPHA


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 Salmo Salar P38ALPHA within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2000 b:33.4 occ:1.00 CL A:1N12000 0.0 33.4 1.0 C5 A:1N12000 1.7 32.5 1.0 C6 A:1N12000 2.7 32.2 1.0 C4 A:1N12000 2.7 32.0 1.0 N2 A:1N12000 2.9 33.6 1.0 CE A:MET199 3.6 24.0 1.0 CG1 B:ILE230 3.7 39.0 1.0 C3 A:1N12000 3.7 35.2 1.0 CD1 B:TYR259 3.8 29.0 1.0 O A:ILE148 3.8 28.7 1.0 CA A:ILE148 3.9 28.4 1.0 CG B:TYR259 3.9 29.4 1.0 CG2 A:ILE148 4.0 27.8 1.0 C7 A:1N12000 4.0 31.9 1.0 SD A:MET199 4.0 24.8 1.0 C9 A:1N12000 4.0 31.9 1.0 CD1 B:ILE230 4.0 38.0 1.0 CE1 B:TYR259 4.2 28.4 1.0 CG A:MET199 4.2 25.2 1.0 CB A:ILE148 4.3 28.2 1.0 O A:1N12000 4.3 35.8 1.0 CB B:TYR259 4.3 30.2 1.0 C A:ILE148 4.3 28.9 1.0 CG1 A:ILE148 4.3 27.5 1.0 CD2 B:TYR259 4.5 29.4 1.0 C8 A:1N12000 4.5 32.0 1.0 C1 A:1N12000 4.5 34.8 1.0 C2 A:1N12000 4.5 35.2 1.0 CZ B:TYR259 4.7 28.9 1.0 CE2 B:TYR259 4.8 28.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Salmo Salar P38ALPHA


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 Salmo Salar P38ALPHA within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1000 b:42.4 occ:1.00 CL B:1N11000 0.0 42.4 1.0 C5 B:1N11000 1.7 42.7 1.0 C6 B:1N11000 2.7 42.4 1.0 C4 B:1N11000 2.7 42.9 1.0 N2 B:1N11000 3.0 44.3 1.0 C3 B:1N11000 3.3 46.3 1.0 OD2 B:ASP169 3.4 34.2 1.0 O B:1N11000 3.5 46.4 1.0 CB B:LEU168 3.8 35.0 1.0 CE1 B:PHE170 3.9 36.9 1.0 N B:ASP169 3.9 35.1 1.0 CG B:ASP169 3.9 34.6 1.0 CG1 B:ILE85 4.0 32.3 1.0 C7 B:1N11000 4.0 42.5 1.0 C9 B:1N11000 4.0 42.4 1.0 CG2 B:ILE85 4.1 32.2 1.0 CD1 B:PHE170 4.1 36.2 1.0 CD2 B:LEU168 4.2 34.9 1.0 CA B:LEU168 4.3 35.1 1.0 CG B:LEU168 4.3 34.8 1.0 CD1 B:LEU168 4.3 35.1 1.0 C2 B:1N11000 4.4 48.1 1.0 OD1 B:ASP169 4.4 34.0 1.0 CB B:ILE85 4.5 32.4 1.0 C8 B:1N11000 4.5 42.4 1.0 C B:LEU168 4.6 35.1 1.0 CB B:ASP169 4.7 35.1 1.0 CD1 B:ILE85 4.8 32.1 1.0 CA B:ASP169 4.8 35.2 1.0 C1 B:1N11000 4.8 49.2 1.0 OG1 B:THR107 4.9 37.0 1.0 CG2 B:THR107 4.9 37.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Salmo Salar P38ALPHA


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 Salmo Salar P38ALPHA within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2000 b:35.1 occ:1.00 CL B:1N12000 0.0 35.1 1.0 C5 B:1N12000 1.7 33.0 1.0 C6 B:1N12000 2.7 32.3 1.0 C4 B:1N12000 2.7 32.2 1.0 N2 B:1N12000 2.9 32.9 1.0 CE B:MET199 3.5 22.5 1.0 O B:ILE148 3.7 29.1 1.0 CG2 B:ILE148 3.7 28.5 1.0 CG1 A:ILE230 3.7 38.9 1.0 C3 B:1N12000 3.7 33.7 1.0 CD1 A:TYR259 3.8 28.8 1.0 CA B:ILE148 3.8 28.9 1.0 CG A:TYR259 3.9 29.5 1.0 C7 B:1N12000 4.0 31.6 1.0 C9 B:1N12000 4.0 31.8 1.0 SD B:MET199 4.1 22.0 1.0 CB B:ILE148 4.1 28.8 1.0 CE1 A:TYR259 4.1 28.3 1.0 CD1 A:ILE230 4.2 37.6 1.0 C B:ILE148 4.2 29.3 1.0 CG1 B:ILE148 4.3 27.9 1.0 CG B:MET199 4.3 24.0 1.0 O B:1N12000 4.3 34.2 1.0 CB A:TYR259 4.3 30.3 1.0 CD2 A:TYR259 4.4 29.2 1.0 C1 B:1N12000 4.5 32.6 1.0 C8 B:1N12000 4.5 31.8 1.0 C2 B:1N12000 4.5 32.9 1.0 CZ A:TYR259 4.6 28.2 1.0 CE2 A:TYR259 4.7 28.4 1.0 N B:ILE148 5.0 29.0 1.0

U.Rothweiler, E.Aberg, K.A.Johnson, T.E.Hansen, J.B.Jorgensen, R.A.Engh. P38ALPHA Map Kinase Dimers with Swapped Activation Segments and A Novel Catalytic Loop Conformation J.Mol.Biol. V. 411 474 2011.
ISSN: ISSN 0022-2836
PubMed: 21699901
DOI: 10.1016/J.JMB.2011.06.013