Chlorine in PDB 8ir2: Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444

Protein crystallography data

The structure of Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444, PDB code: 8ir2 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) 38.10 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.352, 76.203, 141.614, 90, 90, 90
R / Rfree (%) 16.4 / 20.2

Other elements in 8ir2:

The structure of Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444 (pdb code 8ir2). 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 the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444, PDB code: 8ir2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 8ir2

Go back to Chlorine Binding Sites List in 8ir2
Chlorine binding site 1 out of 5 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444


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 and PS444 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:17.6
occ:1.00
 NZ A:LYS20 3.0 22.5 1.0
O A:HOH1242 3.0 15.3 1.0
O A:HOH1266 3.1 21.6 1.0
O C:HOH508 3.3 20.8 1.0
CE A:LYS20 3.3 34.2 1.0
NZ A:LYS56 3.5 13.1 1.0
N A:SER37 3.5 13.6 1.0
O A:SER37 3.6 15.8 1.0
CA A:LYS36 3.8 14.6 1.0
CG A:LYS36 3.9 15.1 1.0
CD A:LYS36 4.1 13.6 1.0
C A:LYS36 4.1 14.3 1.0
C A:SER37 4.2 14.6 1.0
CZ A:PHE34 4.2 17.1 1.0
O A:ILE35 4.3 13.5 1.0
CB A:LYS36 4.4 15.5 1.0
CA A:SER37 4.5 16.5 1.0
O3P C:SEP442 4.5 17.7 1.0
O A:MET12 4.6 15.0 1.0
CE A:LYS36 4.6 20.5 1.0
CD A:LYS20 4.7 31.0 1.0
O C:HOH507 4.7 27.6 1.0
CE A:LYS56 4.8 16.4 1.0
CE2 A:PHE34 4.8 14.2 1.0
N A:LYS36 4.9 13.5 1.0

Chlorine binding site 2 out of 5 in 8ir2

Go back to Chlorine Binding Sites List in 8ir2
Chlorine binding site 2 out of 5 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444


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 and PS444 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:36.2
occ:1.00
 O A:HOH1262 3.3 29.2 1.0
N A:ARG172 3.3 28.4 1.0
N A:ALA171 3.4 26.4 1.0
CB A:PRO188 3.6 20.8 1.0
CG A:ARG172 3.7 43.7 1.0
CA A:ASN170 3.8 38.5 1.0
CB A:ARG172 3.8 40.4 1.0
C A:ASN170 3.8 39.3 1.0
CD A:ARG172 4.0 55.5 1.0
N A:ASN170 4.1 24.0 1.0
CA A:ALA171 4.1 24.9 1.0
CA A:ARG172 4.1 34.8 1.0
C A:ALA171 4.2 33.8 1.0
CB A:ALA171 4.3 22.4 1.0
CA A:PRO188 4.4 16.6 1.0
O A:HOH1258 4.5 32.8 1.0
OE1 A:GLN190 4.6 25.1 1.0
CG A:PRO188 4.7 26.4 1.0
O A:ASN170 4.7 36.4 1.0
O A:ALA168 4.8 18.9 1.0

Chlorine binding site 3 out of 5 in 8ir2

Go back to Chlorine Binding Sites List in 8ir2
Chlorine binding site 3 out of 5 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444


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 and PS444 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:60.0
occ:1.00
 O A:HOH1348 2.6 49.2 1.0
OE2 A:GLU85 2.9 14.0 1.0
O A:HOH1325 3.1 23.7 1.0
NE1 A:TRP66 3.3 14.4 1.0
CD A:GLU85 3.6 16.7 1.0
OE1 A:GLU85 3.8 14.8 1.0
O A:HOH1176 4.0 31.8 1.0
CD1 A:TRP66 4.0 15.2 1.0
O A:HOH1113 4.1 29.5 1.0
NE2 A:HIS45 4.3 14.0 1.0
CE2 A:TRP66 4.3 13.5 1.0
O A:HOH1172 4.4 42.9 1.0
CE1 A:HIS45 4.5 15.7 1.0
CZ2 A:TRP66 4.8 16.2 1.0
CG A:GLU85 4.8 11.8 1.0

Chlorine binding site 4 out of 5 in 8ir2

Go back to Chlorine Binding Sites List in 8ir2
Chlorine binding site 4 out of 5 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444


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 and PS444 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:18.4
occ:1.00
 O B:HOH576 3.1 19.9 1.0
NZ B:LYS20 3.1 20.5 1.0
O B:HOH505 3.1 12.6 1.0
O D:HOH512 3.3 23.6 1.0
O B:SER37 3.5 16.1 1.0
NZ B:LYS56 3.5 10.9 1.0
N B:SER37 3.6 15.2 1.0
CA B:LYS36 3.8 11.6 1.0
CE B:LYS20 3.9 23.7 1.0
CG B:LYS36 3.9 13.2 1.0
CD B:LYS36 3.9 17.9 1.0
C B:SER37 4.1 15.4 1.0
C B:LYS36 4.2 14.2 1.0
CZ B:PHE34 4.3 20.9 1.0
O B:ILE35 4.4 15.6 1.0
CB B:LYS36 4.4 14.1 1.0
CA B:SER37 4.5 15.4 1.0
O B:MET12 4.5 18.6 1.0
O3P D:SEP442 4.5 16.7 1.0
CE B:LYS36 4.6 23.2 1.0
O D:HOH506 4.7 22.6 1.0
CE B:LYS56 4.8 12.0 1.0
N B:LYS36 4.9 13.0 1.0
CE2 B:PHE34 5.0 19.4 1.0

Chlorine binding site 5 out of 5 in 8ir2

Go back to Chlorine Binding Sites List in 8ir2
Chlorine binding site 5 out of 5 in the Crystal Structure of the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444


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 the SLF1 Brct Domain in Complex with A RAD18 Peptide Containing PS442 and PS444 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:26.2
occ:1.00
 O B:HOH585 3.1 34.8 1.0
O A:HOH1257 3.2 37.7 1.0
N B:LYS16 3.2 21.6 1.0
O B:HOH428 3.2 35.2 1.0
CB B:GLU19 3.8 24.7 1.0
CA B:PHE15 3.8 18.5 1.0
CB B:LYS16 3.8 23.4 1.0
C B:PHE15 4.0 25.2 1.0
CD1 B:PHE15 4.0 16.7 1.0
CG B:GLU49 4.1 17.9 1.0
CA B:LYS16 4.1 21.5 1.0
CG B:GLU19 4.2 20.7 1.0
CB B:PHE15 4.2 15.6 1.0
CG B:LYS16 4.5 35.1 1.0
O B:GLY14 4.5 17.4 1.0
O B:HOH457 4.6 40.0 1.0
CG B:PHE15 4.6 17.3 1.0
CE B:LYS16 4.7 40.0 1.0
O A:HOH1270 4.7 41.1 1.0
CD B:GLU49 4.7 22.5 1.0
O B:LYS16 4.7 20.2 1.0
O C:HOH504 4.7 30.3 1.0
OE1 B:GLU19 4.8 31.1 1.0
O B:HOH412 4.8 38.1 1.0
OE2 B:GLU49 4.9 21.9 1.0
C B:LYS16 4.9 23.8 1.0
CD B:GLU19 4.9 40.6 1.0

Reference:

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
Page generated: Tue Jul 30 10:34:39 2024

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