Chlorine in PDB 4k36: HIS6 Tagged Ansmecpe with Bound Adomet

The structure of HIS6 Tagged Ansmecpe with Bound Adomet, PDB code: 4k36 was solved by P.J.Goldman, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.00 / 1.62
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.561, 92.617, 92.348, 90.00, 94.00, 90.00
R / Rfree (%)	18.2 / 19.5

The structure of HIS6 Tagged Ansmecpe with Bound Adomet also contains other interesting chemical elements:

Iron

(Fe)

24 atoms

The binding sites of Chlorine atom in the HIS6 Tagged Ansmecpe with Bound Adomet (pdb code 4k36). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the HIS6 Tagged Ansmecpe with Bound Adomet, PDB code: 4k36:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the HIS6 Tagged Ansmecpe with Bound Adomet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HIS6 Tagged Ansmecpe with Bound Adomet within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:28.8 occ:1.00 N A:PHE191 3.1 23.8 1.0 N A:TYR239 3.1 26.0 1.0 O A:HOH769 3.3 36.2 1.0 O A:HOH763 3.3 45.1 1.0 CB A:TYR239 3.6 26.5 1.0 N A:ARG238 3.6 24.6 1.0 CG2 A:ILE237 3.7 25.1 1.0 O A:PHE191 3.7 32.5 1.0 CA A:GLN190 3.8 23.1 1.0 CB A:ARG238 3.9 31.9 1.0 CA A:PHE191 3.9 22.2 1.0 CB A:PHE191 3.9 22.1 1.0 CA A:TYR239 3.9 26.2 1.0 C A:GLN190 3.9 23.3 1.0 CA A:ARG238 3.9 25.7 1.0 C A:ARG238 4.0 30.5 1.0 CD2 A:PHE191 4.1 25.1 1.0 C A:PHE191 4.2 26.6 1.0 C A:ILE237 4.3 28.2 1.0 O A:LEU189 4.3 23.9 1.0 CG A:PHE191 4.5 24.1 1.0 O A:HOH721 4.6 38.3 1.0 CB A:GLN190 4.7 26.0 1.0 N A:GLN190 4.8 21.3 1.0 CA A:ILE237 4.9 25.0 1.0 CB A:ILE237 4.9 25.4 1.0 C A:LEU189 4.9 22.1 1.0 O A:ILE237 4.9 26.8 1.0 O A:HOH862 4.9 42.8 1.0 CG A:TYR239 4.9 28.0 1.0 CG A:ARG238 5.0 31.9 1.0

Chlorine binding site 2 out of 3 in the HIS6 Tagged Ansmecpe with Bound Adomet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of HIS6 Tagged Ansmecpe with Bound Adomet within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:29.4 occ:1.00 O B:HOH803 2.6 45.7 1.0 N B:PHE191 3.0 24.8 1.0 N B:TYR239 3.1 27.7 1.0 O B:HOH647 3.2 32.5 1.0 N B:ARG238 3.6 24.6 1.0 O B:PHE191 3.6 34.7 1.0 CB B:TYR239 3.6 26.8 1.0 CG2 B:ILE237 3.7 25.2 1.0 CB B:ARG238 3.7 26.9 1.0 CA B:PHE191 3.9 23.1 1.0 CB B:PHE191 3.9 22.7 1.0 CA B:ARG238 3.9 24.6 1.0 CA B:GLN190 3.9 23.6 0.5 CA B:GLN190 3.9 23.6 0.5 C B:ARG238 3.9 27.7 1.0 CA B:TYR239 4.0 25.1 1.0 C B:GLN190 4.0 26.4 1.0 CD2 B:PHE191 4.1 24.9 1.0 C B:PHE191 4.2 29.5 1.0 C B:ILE237 4.3 25.9 1.0 O B:HOH731 4.4 40.9 1.0 O B:LEU189 4.5 23.8 1.0 CG B:PHE191 4.5 24.4 1.0 CG B:GLN190 4.5 28.1 0.5 CG B:ARG238 4.7 37.9 1.0 CB B:GLN190 4.8 26.3 0.5 CA B:ILE237 4.8 24.4 1.0 CB B:GLN190 4.8 26.3 0.5 CB B:ILE237 4.9 24.4 1.0 O B:ILE237 4.9 24.6 1.0 N B:GLN190 4.9 22.3 1.0

Chlorine binding site 3 out of 3 in the HIS6 Tagged Ansmecpe with Bound Adomet


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of HIS6 Tagged Ansmecpe with Bound Adomet within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:37.4 occ:1.00 O B:HOH795 3.0 50.2 1.0 O B:HOH864 3.1 49.6 1.0 N B:SER144 3.3 28.4 1.0 ND2 B:ASN131 3.4 32.9 1.0 O B:HOH882 3.5 56.7 1.0 CB B:ASP141 3.7 31.0 1.0 O B:HOH842 3.7 36.8 1.0 CB B:PHE143 3.7 28.7 1.0 N B:PHE143 3.8 25.7 1.0 CE B:LYS127 3.9 43.5 1.0 CB B:SER144 3.9 33.1 1.0 CA B:PHE143 4.0 27.7 1.0 OG B:SER144 4.1 40.0 1.0 C B:PHE143 4.1 27.0 1.0 CA B:SER144 4.2 29.0 1.0 CG B:ASN131 4.3 30.0 1.0 OD1 B:ASN131 4.3 27.7 1.0 OD2 B:ASP141 4.3 43.5 1.0 CD B:LYS127 4.4 40.6 1.0 NZ B:LYS127 4.4 49.5 1.0 CD2 B:PHE143 4.4 34.3 1.0 CG B:ASP141 4.5 34.0 1.0 CG B:LYS127 4.5 36.9 1.0 N B:THR142 4.6 27.0 1.0 C B:ASP141 4.6 28.9 1.0 C B:THR142 4.6 26.4 1.0 CG B:PHE143 4.6 29.0 1.0 CA B:ASP141 4.8 29.7 1.0 O B:ASP141 4.9 30.5 1.0

P.J.Goldman, T.L.Grove, L.A.Sites, M.I.Mclaughlin, S.J.Booker, C.L.Drennan. X-Ray Structure of An Adomet Radical Activase Reveals An Anaerobic Solution For Formylglycine Posttranslational Modification. Proc.Natl.Acad.Sci.Usa V. 110 8519 2013.
ISSN: ISSN 0027-8424
PubMed: 23650368
DOI: 10.1073/PNAS.1302417110