Chlorine in PDB 4wj0: Structure of PH1245, A CAS1 From Pyrococcus Horikoshii

The structure of Structure of PH1245, A CAS1 From Pyrococcus Horikoshii, PDB code: 4wj0 was solved by P.Petit, G.Brown, A.Savchenko, A.F.Yakunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.34 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	125.890, 58.672, 90.147, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 28.2

The binding sites of Chlorine atom in the Structure of PH1245, A CAS1 From Pyrococcus Horikoshii (pdb code 4wj0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of PH1245, A CAS1 From Pyrococcus Horikoshii, PDB code: 4wj0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of PH1245, A CAS1 From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of PH1245, A CAS1 From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:30.0 occ:1.00 H A:ILE142 2.8 46.6 1.0 HZ1 A:LYS98 3.0 60.3 1.0 H A:THR143 3.6 56.4 1.0 HB A:ILE142 3.6 47.0 1.0 N A:ILE142 3.6 38.9 1.0 HZ2 A:LYS98 3.6 60.3 1.0 NZ A:LYS98 3.7 50.2 1.0 HA A:LYS141 3.8 48.9 1.0 HZ3 A:LYS98 3.8 60.3 1.0 HG12 A:ILE142 3.9 75.8 1.0 CB A:LYS141 4.0 40.7 1.0 HG23 A:THR143 4.0 46.5 1.0 CA A:LYS141 4.3 40.7 1.0 CB A:ILE142 4.3 39.1 1.0 N A:THR143 4.4 47.0 1.0 C A:LYS141 4.4 39.8 1.0 CG1 A:ILE142 4.5 63.2 1.0 CA A:ILE142 4.5 38.4 1.0 OG1 A:THR143 4.6 43.1 1.0 HG13 A:ILE142 4.6 75.8 1.0 HG1 A:THR143 4.7 51.7 1.0 CG2 A:THR143 4.8 38.8 1.0 HG21 A:THR143 4.8 46.5 1.0 CE A:LYS98 5.0 58.9 1.0 C A:ILE142 5.0 39.3 1.0

Chlorine binding site 2 out of 2 in the Structure of PH1245, A CAS1 From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of PH1245, A CAS1 From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:32.9 occ:1.00 HE B:ARG173 2.6 54.8 1.0 HH B:TYR157 2.7 52.9 1.0 HD2 B:ARG153 3.0 48.3 1.0 NE B:ARG173 3.4 45.7 1.0 OH B:TYR157 3.4 44.1 1.0 HG2 B:ARG173 3.5 76.9 1.0 HD22 B:ASN190 3.5 45.3 1.0 HH21 B:ARG173 3.6 47.5 1.0 HZ3 B:LYS232 3.7 44.1 1.0 HD21 B:ASN190 3.8 45.3 1.0 CD B:ARG153 3.8 40.2 1.0 HD3 B:ARG175 3.9 70.1 1.0 ND2 B:ASN190 4.0 37.8 1.0 HD3 B:ARG153 4.0 48.3 1.0 HE B:ARG153 4.0 48.8 1.0 HD3 B:ARG173 4.0 69.3 1.0 NE B:ARG153 4.1 40.6 1.0 HE2 B:TYR157 4.1 53.5 1.0 HE B:ARG175 4.1 81.8 1.0 CD B:ARG173 4.1 57.8 1.0 NH2 B:ARG173 4.2 39.6 1.0 CZ B:ARG173 4.2 36.1 1.0 HD3 B:LYS232 4.2 41.6 1.0 HE2 B:LYS232 4.2 46.2 1.0 CG B:ARG173 4.3 64.1 1.0 NE B:ARG175 4.3 68.2 1.0 NZ B:LYS232 4.5 36.8 1.0 CZ B:TYR157 4.5 44.6 1.0 CZ B:ARG175 4.5 82.5 1.0 CD B:ARG175 4.6 58.4 1.0 HG3 B:ARG173 4.6 76.9 1.0 CE2 B:TYR157 4.7 44.6 1.0 HZ1 B:LYS232 4.7 44.1 1.0 CE B:LYS232 4.7 38.5 1.0 HG22 B:ILE186 4.8 42.5 1.0 HH21 B:ARG175 4.8 0.6 1.0 NH2 B:ARG175 4.8 89.7 1.0 CZ B:ARG153 4.9 41.3 1.0 CD B:LYS232 4.9 34.6 1.0 HH22 B:ARG173 4.9 47.5 1.0 NH1 B:ARG175 5.0 89.5 1.0

P.Petit, G.Brown, A.Savchenko, A.F.Yakunin. Structure of PH1245, A CAS1 From Pyrococcus Horikoshii To Be Published.