Chlorine in PDB 4k38: Native Ansmecpe with Bound Adomet and KP18CYS Peptide

The structure of Native Ansmecpe with Bound Adomet and KP18CYS Peptide, PDB code: 4k38 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)	41.09 / 1.83
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.383, 92.068, 91.102, 90.00, 91.21, 90.00
R / Rfree (%)	17.2 / 20.5

The structure of Native Ansmecpe with Bound Adomet and KP18CYS Peptide also contains other interesting chemical elements:

Iron

(Fe)

24 atoms

The binding sites of Chlorine atom in the Native Ansmecpe with Bound Adomet and KP18CYS Peptide (pdb code 4k38). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Native Ansmecpe with Bound Adomet and KP18CYS Peptide, PDB code: 4k38:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Native Ansmecpe with Bound Adomet and KP18CYS Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Native Ansmecpe with Bound Adomet and KP18CYS Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl513 b:26.1 occ:1.00 O A:HOH740 3.1 34.5 1.0 O A:HOH659 3.2 26.7 1.0 ND2 A:ASN131 3.3 17.8 1.0 N A:SER144 3.3 16.6 1.0 CB A:ASP141 3.7 18.6 1.0 CB A:SER144 3.8 22.0 1.0 CB A:PHE143 3.9 16.1 1.0 N A:PHE143 3.9 16.5 1.0 OG A:SER144 4.0 25.2 1.0 CA A:SER144 4.2 17.7 1.0 CA A:PHE143 4.2 18.3 1.0 C A:PHE143 4.2 19.1 1.0 CG A:ASN131 4.3 18.8 1.0 CD A:LYS127 4.3 25.8 1.0 CD2 A:PHE143 4.3 18.5 1.0 OD1 A:ASN131 4.4 16.9 1.0 CG A:LYS127 4.4 23.2 1.0 OD2 A:ASP141 4.4 18.2 1.0 CG A:ASP141 4.5 19.3 1.0 O A:HOH819 4.6 43.1 1.0 C A:THR142 4.6 18.4 1.0 CG A:PHE143 4.6 14.8 1.0 N A:THR142 4.6 14.8 1.0 C A:ASP141 4.7 17.3 1.0 CE A:LYS127 4.8 44.9 1.0 CA A:ASP141 4.9 18.2 1.0

Chlorine binding site 2 out of 3 in the Native Ansmecpe with Bound Adomet and KP18CYS Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Native Ansmecpe with Bound Adomet and KP18CYS Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl514 b:23.9 occ:1.00 O A:HOH778 2.7 35.8 1.0 N A:PHE191 3.0 14.9 1.0 N A:TYR239 3.0 17.6 1.0 O A:HOH672 3.0 21.7 1.0 CB A:TYR239 3.4 17.0 1.0 O A:PHE191 3.6 21.0 1.0 CG2 A:ILE237 3.6 15.7 1.0 N A:ARG238 3.6 17.4 1.0 CA A:GLN190 3.8 15.9 0.6 CA A:TYR239 3.8 18.6 1.0 CA A:PHE191 3.8 15.8 1.0 CA A:GLN190 3.8 15.9 0.4 CB A:PHE191 3.9 15.8 1.0 C A:GLN190 3.9 18.3 1.0 CB A:ARG238 3.9 18.6 1.0 C A:ARG238 4.0 19.1 1.0 CA A:ARG238 4.0 18.2 1.0 CD2 A:PHE191 4.1 17.3 1.0 C A:PHE191 4.1 20.7 1.0 C A:ILE237 4.3 15.4 1.0 CG A:GLN190 4.3 20.3 0.4 O A:LEU189 4.3 15.6 1.0 O A:HOH640 4.4 24.1 1.0 CG A:PHE191 4.5 13.4 1.0 CB A:GLN190 4.6 18.6 0.6 CB A:GLN190 4.7 18.6 0.4 CA A:ILE237 4.8 15.2 1.0 N A:GLN190 4.8 14.2 1.0 CG A:TYR239 4.8 17.7 1.0 CB A:ILE237 4.9 17.7 1.0 O A:ILE237 4.9 15.7 1.0 C A:LEU189 4.9 15.4 1.0 CG A:ARG238 5.0 23.1 1.0

Chlorine binding site 3 out of 3 in the Native Ansmecpe with Bound Adomet and KP18CYS Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Native Ansmecpe with Bound Adomet and KP18CYS Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl512 b:23.9 occ:1.00 N B:PHE191 3.0 20.9 1.0 O B:HOH670 3.1 38.3 1.0 N B:TYR239 3.2 17.9 1.0 CB B:TYR239 3.5 20.7 1.0 O B:PHE191 3.6 29.5 1.0 CG2 B:ILE237 3.7 17.1 1.0 N B:ARG238 3.7 17.3 1.0 CA B:GLN190 3.8 18.4 1.0 CA B:PHE191 3.8 25.7 1.0 CB B:PHE191 3.9 20.6 1.0 C B:GLN190 3.9 22.8 1.0 CB B:ARG238 3.9 18.9 1.0 CA B:TYR239 3.9 18.0 1.0 CD2 B:PHE191 4.0 19.5 1.0 C B:ARG238 4.0 19.1 1.0 CA B:ARG238 4.1 22.0 1.0 C B:PHE191 4.2 29.3 1.0 C B:ILE237 4.4 19.2 1.0 CG B:PHE191 4.4 18.2 1.0 O B:LEU189 4.4 17.5 1.0 CB B:GLN190 4.7 18.2 1.0 N B:GLN190 4.8 14.6 1.0 CA B:ILE237 4.9 19.6 1.0 CB B:ILE237 4.9 18.4 1.0 CG B:TYR239 4.9 19.0 1.0 C B:LEU189 5.0 18.3 1.0 O B:ILE237 5.0 19.0 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