Chlorine in PDB 8ir4: Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442

The structure of Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442, PDB code: 8ir4 was solved by S.Xiang, W.Huang, F.Qiu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.60 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.421, 76.098, 141.371, 90, 90, 90
R / Rfree (%)	18.1 / 21.3

The structure of Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 (pdb code 8ir4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442, PDB code: 8ir4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442


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 the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:19.5 occ:1.00 NZ A:LYS20 2.8 33.9 1.0 O A:HOH1252 3.1 15.1 1.0 O C:HOH508 3.2 27.3 1.0 O A:HOH1229 3.3 22.7 1.0 NZ A:LYS56 3.5 17.7 1.0 O A:SER37 3.6 18.1 1.0 N A:SER37 3.6 15.0 1.0 CE A:LYS20 3.8 51.6 1.0 CA A:LYS36 3.8 13.1 1.0 CG A:LYS36 3.9 15.2 1.0 CD A:LYS36 4.1 16.5 1.0 C A:SER37 4.2 14.7 1.0 C A:LYS36 4.2 14.6 1.0 CZ A:PHE34 4.2 16.6 1.0 O A:ILE35 4.3 14.8 1.0 CB A:LYS36 4.4 14.1 1.0 CD A:LYS20 4.4 37.0 1.0 CA A:SER37 4.5 13.3 1.0 O3P C:SEP442 4.6 17.1 1.0 O A:MET12 4.6 16.4 1.0 CE A:LYS36 4.6 26.3 1.0 O C:HOH505 4.8 28.8 1.0 CE A:LYS56 4.8 17.8 1.0 CE2 A:PHE34 4.9 17.0 1.0 N A:LYS36 4.9 14.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442


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 the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:34.8 occ:1.00 O A:HOH1257 3.1 29.4 1.0 N A:ARG172 3.3 27.1 1.0 N A:ALA171 3.3 26.4 1.0 CG A:ARG172 3.6 33.4 1.0 CB A:PRO188 3.6 20.0 1.0 CB A:ARG172 3.7 31.0 1.0 CA A:ASN170 3.7 33.9 1.0 C A:ASN170 3.8 33.7 1.0 CD A:ARG172 3.9 42.2 1.0 N A:ASN170 4.1 24.5 1.0 CA A:ALA171 4.1 21.7 1.0 CA A:ARG172 4.1 28.2 1.0 C A:ALA171 4.2 25.7 1.0 CB A:ALA171 4.3 22.1 1.0 CA A:PRO188 4.4 18.0 1.0 O A:HOH1200 4.4 33.9 1.0 OE1 A:GLN190 4.6 25.7 1.0 CG A:PRO188 4.7 28.4 1.0 O A:ASN170 4.7 29.4 1.0 O A:HOH1294 4.9 37.5 1.0 O A:ALA168 4.9 20.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442


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 the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:17.9 occ:1.00 O B:HOH512 3.0 13.9 1.0 O B:HOH577 3.1 22.9 1.0 NZ B:LYS20 3.2 30.4 1.0 O D:HOH508 3.2 23.4 1.0 NZ B:LYS56 3.5 13.7 1.0 O B:SER37 3.5 16.4 1.0 N B:SER37 3.6 14.2 1.0 CA B:LYS36 3.8 12.0 1.0 CE B:LYS20 3.9 31.9 1.0 CG B:LYS36 3.9 15.2 1.0 CD B:LYS36 3.9 16.7 1.0 C B:SER37 4.2 15.6 1.0 C B:LYS36 4.2 14.9 1.0 CZ B:PHE34 4.2 16.7 1.0 O B:ILE35 4.4 16.0 1.0 CB B:LYS36 4.4 12.2 1.0 O B:MET12 4.5 17.3 1.0 CA B:SER37 4.5 16.1 1.0 O3P D:SEP442 4.5 19.6 1.0 CE B:LYS36 4.6 24.2 1.0 O D:HOH504 4.7 25.8 1.0 CE B:LYS56 4.7 17.1 1.0 O D:HOH501 4.8 32.1 1.0 CE2 B:PHE34 4.9 18.2 1.0 N B:LYS36 4.9 13.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442


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 the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:27.1 occ:1.00 O B:HOH553 3.1 31.0 1.0 N B:LYS16 3.2 21.1 1.0 O B:HOH580 3.4 43.1 1.0 O B:HOH416 3.4 44.2 1.0 CB B:GLU19 3.7 25.2 1.0 CA B:PHE15 3.8 16.7 1.0 CB B:LYS16 3.9 25.9 1.0 C B:PHE15 4.0 18.7 1.0 CD1 B:PHE15 4.0 16.7 1.0 CG B:LYS16 4.1 38.4 1.0 CG B:GLU19 4.1 28.2 1.0 CA B:LYS16 4.1 19.5 1.0 CG B:GLU49 4.1 15.3 1.0 CB B:PHE15 4.2 17.9 1.0 O B:GLY14 4.5 19.0 1.0 CG B:PHE15 4.6 16.2 1.0 O B:LYS16 4.6 21.1 1.0 CD B:GLU49 4.8 21.3 1.0 C B:LYS16 4.8 24.7 1.0 OE2 B:GLU49 4.9 22.9 1.0 O B:HOH466 5.0 38.7 1.0 N B:PHE15 5.0 19.0 1.0 OE2 B:GLU19 5.0 33.7 1.0

W.Huang, F.Qiu, L.Zheng, M.Shi, M.Shen, X.Zhao, S.Xiang. Structural Insights Into RAD18 Targeting By the SLF1 Brct Domains. J.Biol.Chem. V. 299 05288 2023.
ISSN: ESSN 1083-351X
PubMed: 37748650
DOI: 10.1016/J.JBC.2023.105288