Chlorine in PDB 3keb: Thiol Peroxidase From Chromobacterium Violaceum

The structure of Thiol Peroxidase From Chromobacterium Violaceum, PDB code: 3keb was solved by J.Osipiuk, O.Kagan, A.Savchenko, A.M.Edwards, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.630, 59.387, 93.484, 90.00, 98.30, 90.00
R / Rfree (%)	20.6 / 24.2

The binding sites of Chlorine atom in the Thiol Peroxidase From Chromobacterium Violaceum (pdb code 3keb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Thiol Peroxidase From Chromobacterium Violaceum, PDB code: 3keb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Thiol Peroxidase From Chromobacterium Violaceum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thiol Peroxidase From Chromobacterium Violaceum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:34.1 occ:0.90 NH1 B:ARG72 3.1 29.0 1.0 N B:ASN105 3.2 20.4 1.0 CD1 B:ILE106 3.3 21.5 0.6 C B:LEU103 3.4 23.0 1.0 CD B:ARG72 3.4 25.4 1.0 CD B:PRO104 3.4 24.6 1.0 N B:PRO104 3.4 23.5 1.0 CG1 B:ILE106 3.5 20.1 0.6 CA B:LEU103 3.6 20.8 1.0 N B:ILE106 3.7 17.1 1.0 CG2 B:ILE106 3.7 17.7 0.4 O B:LEU103 3.8 22.9 1.0 CG B:PRO104 4.0 23.9 1.0 CA B:ASN105 4.0 20.9 1.0 CB B:ASN105 4.1 21.5 1.0 CZ B:ARG72 4.2 27.4 1.0 C B:PRO104 4.2 22.1 1.0 NE B:ARG72 4.2 27.3 1.0 C B:ASN105 4.3 19.4 1.0 CA B:PRO104 4.3 22.3 1.0 O B:HOH448 4.3 38.8 1.0 CB B:LEU103 4.4 19.5 1.0 CB B:ILE106 4.4 16.6 0.6 ND2 B:ASN105 4.4 25.3 1.0 CG1 B:ILE106 4.5 15.7 0.4 CB B:ILE106 4.5 16.2 0.4 CG B:ARG72 4.6 22.5 1.0 CA B:ILE106 4.6 16.6 0.6 CA B:ILE106 4.6 16.2 0.4 CG B:ASN105 4.7 23.1 1.0 O B:GLY102 4.8 22.1 1.0 CB B:PRO104 4.8 23.4 1.0 N B:LEU103 4.9 21.1 1.0

Chlorine binding site 2 out of 3 in the Thiol Peroxidase From Chromobacterium Violaceum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thiol Peroxidase From Chromobacterium Violaceum within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:30.1 occ:0.80 NH1 C:ARG72 3.2 27.5 1.0 N C:ASN105 3.2 19.9 1.0 N C:PRO104 3.3 23.0 1.0 CD C:ARG72 3.4 25.9 1.0 C C:LEU103 3.4 22.5 1.0 CD C:PRO104 3.4 24.7 1.0 CG1 C:ILE106 3.5 18.7 0.6 CD1 C:ILE106 3.6 19.2 0.6 CA C:LEU103 3.7 20.0 1.0 N C:ILE106 3.7 16.1 1.0 O C:LEU103 3.8 22.5 1.0 CA C:ASN105 4.0 20.2 1.0 CG2 C:ILE106 4.0 16.1 0.4 CG C:PRO104 4.0 23.2 1.0 CB C:ASN105 4.1 20.4 1.0 C C:PRO104 4.1 22.2 1.0 CZ C:ARG72 4.2 27.1 1.0 CA C:PRO104 4.2 21.9 1.0 NE C:ARG72 4.2 26.8 1.0 O C:HOH359 4.3 34.9 1.0 CG1 C:ILE106 4.3 13.6 0.4 C C:ASN105 4.3 18.4 1.0 CB C:LEU103 4.4 19.3 1.0 O A:HOH501 4.4 38.5 1.0 ND2 C:ASN105 4.4 23.9 1.0 CB C:ILE106 4.4 15.7 0.6 CB C:ILE106 4.5 15.1 0.4 CG C:ARG72 4.5 22.8 1.0 CA C:ILE106 4.6 15.6 0.6 CA C:ILE106 4.7 15.1 0.4 CG C:ASN105 4.7 24.0 1.0 CB C:PRO104 4.8 23.4 1.0 O C:GLY102 4.8 21.2 1.0 N C:LEU103 4.9 20.7 1.0 CD1 C:ILE106 5.0 17.2 0.4

Chlorine binding site 3 out of 3 in the Thiol Peroxidase From Chromobacterium Violaceum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Thiol Peroxidase From Chromobacterium Violaceum within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl304 b:21.6 occ:0.60 O D:HOH496 2.6 33.6 1.0 OE1 D:GLU59 2.7 14.2 1.0 N D:ASP60 2.8 14.9 1.0 N D:HIS62 3.1 13.7 1.0 N D:GLU61 3.2 13.5 1.0 O D:HOH510 3.4 40.8 1.0 OE1 D:GLU61 3.6 13.2 0.6 CB D:GLU59 3.6 12.0 1.0 CB D:HIS62 3.6 13.9 1.0 CA D:ASP60 3.6 16.2 1.0 C D:ASP60 3.6 15.5 1.0 C D:GLU59 3.7 13.7 1.0 CA D:GLU59 3.7 13.4 1.0 CD2 D:HIS62 3.8 14.1 1.0 CD D:GLU61 3.8 19.8 0.6 CD D:GLU59 3.8 19.5 1.0 CG D:GLU61 3.8 16.6 0.6 CA D:HIS62 3.9 13.3 1.0 CA D:GLU61 4.0 14.5 0.4 C D:GLU61 4.0 14.5 1.0 CB D:ASP60 4.0 17.8 1.0 CG D:HIS62 4.0 11.6 1.0 CA D:GLU61 4.0 14.8 0.6 O D:HOH234 4.2 15.2 1.0 CG D:GLU59 4.3 15.5 1.0 CB D:GLU61 4.3 14.6 0.4 O D:HIS62 4.5 12.2 1.0 CB D:GLU61 4.5 15.2 0.6 O D:ASP60 4.5 16.4 1.0 C D:HIS62 4.6 13.3 1.0 OE2 D:GLU61 4.6 21.4 0.6 O D:GLU59 4.9 15.7 1.0 OE2 D:GLU59 4.9 17.5 1.0

J.Osipiuk, O.Kagan, A.Savchenko, A.M.Edwards, A.Joachimiak. X-Ray Crystal Structure of Thiol Peroxidase From Chromobacterium Violaceum To Be Published.