Chlorine in PDB 1wfx: Crystal Structure of APE0204 From Aeropyrum Pernix

The structure of Crystal Structure of APE0204 From Aeropyrum Pernix, PDB code: 1wfx was solved by M.Kato-Murayama, Y.Bessho, M.Shirouzu, S.Yokoyama, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.07 / 2.80
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	102.667, 102.667, 101.489, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 28.6

The structure of Crystal Structure of APE0204 From Aeropyrum Pernix also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of APE0204 From Aeropyrum Pernix (pdb code 1wfx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of APE0204 From Aeropyrum Pernix, PDB code: 1wfx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of APE0204 From Aeropyrum Pernix


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 APE0204 From Aeropyrum Pernix within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:13.9 occ:1.00 NZ A:LYS61 3.2 33.4 1.0 NE A:ARG63 3.4 24.0 1.0 NH2 A:ARG14 3.7 19.3 1.0 OH A:TYR75 3.7 19.2 1.0 NH2 A:ARG63 3.9 24.0 1.0 NH2 A:ARG116 4.0 35.2 1.0 NH1 A:ARG14 4.0 21.1 1.0 CD A:LYS61 4.1 28.7 1.0 CZ A:ARG63 4.1 24.5 1.0 CE1 A:TYR75 4.2 19.1 1.0 CE A:LYS61 4.3 30.0 1.0 CZ A:ARG14 4.3 19.0 1.0 CD A:ARG63 4.3 21.6 1.0 CZ A:TYR75 4.5 19.3 1.0 CZ A:ARG116 5.0 35.4 1.0 CG A:ARG63 5.0 19.3 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of APE0204 From Aeropyrum Pernix


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 APE0204 From Aeropyrum Pernix within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:14.1 occ:1.00 NH2 A:ARG19 3.8 25.4 1.0 CA A:HIS16 3.9 22.0 1.0 N A:ARG19 3.9 25.8 1.0 CB A:HIS16 4.0 22.9 1.0 NE A:ARG19 4.1 27.1 1.0 C A:HIS16 4.1 21.0 1.0 N A:GLY18 4.2 25.8 1.0 N A:PRO17 4.3 21.7 1.0 CZ A:ARG19 4.4 26.2 1.0 CB A:ARG19 4.5 25.5 1.0 CA A:GLY18 4.5 26.2 1.0 CD A:PRO17 4.5 20.9 1.0 O A:HIS15 4.6 22.3 1.0 C A:GLY18 4.7 26.0 1.0 O A:HIS16 4.7 17.7 1.0 CA A:ARG19 4.7 24.9 1.0 C A:PRO17 4.9 25.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of APE0204 From Aeropyrum Pernix


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 APE0204 From Aeropyrum Pernix within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:27.0 occ:1.00 NE2 A:HIS15 3.1 16.0 1.0 NH2 A:ARG115 3.4 40.6 1.0 NH2 A:ARG116 3.8 35.2 1.0 CE1 A:HIS15 3.9 15.6 1.0 NH1 A:ARG14 3.9 21.1 1.0 CD2 A:HIS15 4.1 16.8 1.0 NE A:ARG116 4.2 35.4 1.0 CZ A:ARG115 4.4 40.0 1.0 CZ A:ARG116 4.4 35.4 1.0 NE A:ARG115 4.6 40.8 1.0 CD A:ARG14 4.8 14.6 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of APE0204 From Aeropyrum Pernix


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 APE0204 From Aeropyrum Pernix within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:30.1 occ:1.00 N A:HIS120 3.8 23.0 1.0 CD A:ARG116 3.8 33.9 1.0 ND1 A:HIS120 3.9 30.0 1.0 CB A:HIS120 4.0 25.2 1.0 NH1 A:ARG116 4.1 35.3 1.0 CG A:HIS120 4.3 28.9 1.0 CE1 A:HIS96 4.4 15.8 1.0 CA A:HIS120 4.4 23.7 1.0 NE A:ARG116 4.5 35.4 1.0 O A:LYS118 4.5 22.2 1.0 CZ A:ARG116 4.6 35.4 1.0 O A:HIS120 4.7 24.4 1.0 CG A:ARG116 4.7 32.2 1.0 CA A:VAL119 4.7 20.6 1.0 C A:VAL119 4.7 21.0 1.0 CB A:ARG116 4.8 30.9 1.0 CE1 A:HIS120 4.9 29.4 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of APE0204 From Aeropyrum Pernix


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of APE0204 From Aeropyrum Pernix within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:40.5 occ:1.00 NH2 A:ARG158 3.6 30.2 1.0 NH1 A:ARG158 3.8 32.2 1.0 CZ A:ARG158 4.2 31.7 1.0 CE A:LYS161 4.9 41.3 1.0

M.Kato-Murayama, Y.Bessho, M.Shirouzu, S.Yokoyama. Crystal Structure of the Rna 2'-Phosphotransferase From Aeropyrum Pernix K1 J.Mol.Biol. V. 348 295 2005.
ISSN: ISSN 0022-2836
PubMed: 15811369
DOI: 10.1016/J.JMB.2005.02.049