Chlorine in PDB 1wyw: Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase

The structure of Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase, PDB code: 1wyw was solved by D.Baba, N.Maita, J.G.Jee, Y.Uchimura, H.Saitoh, K.Sugasawa, F.Hanaoka, H.Tochio, H.Hiroaki, M.Shirakawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.212, 70.420, 106.434, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.5

The structure of Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase also contains other interesting chemical elements:

Magnesium	(Mg)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase (pdb code 1wyw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase, PDB code: 1wyw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase


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 SUMO1-Conjugated Thymine Dna Glycosylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl340 b:15.6 occ:1.00 O A:HOH450 2.9 21.6 1.0 O A:HOH455 3.2 20.2 1.0 N A:SER271 3.4 12.8 1.0 N A:LYS232 3.4 13.0 1.0 CA A:PRO270 3.7 12.2 1.0 CA A:GLY231 3.7 11.5 1.0 CE2 A:PHE252 3.8 8.4 1.0 CZ A:PHE252 3.9 9.9 1.0 C A:PRO270 4.0 13.7 1.0 C A:GLY231 4.1 12.8 1.0 CB A:LYS232 4.2 12.2 1.0 CB A:SER271 4.2 13.3 1.0 CG A:LYS232 4.3 10.4 1.0 O A:MET269 4.3 12.2 1.0 CA A:LYS232 4.4 13.6 1.0 CA A:SER271 4.4 13.9 1.0 CB A:PRO270 4.5 13.0 1.0 SG A:CYS276 4.6 25.4 1.0 N A:PRO270 4.8 11.3 1.0 O A:HOH471 4.8 34.4 1.0 CD A:LYS232 5.0 10.6 1.0 N A:CYS233 5.0 13.5 1.0 N A:GLY231 5.0 11.4 1.0 C A:MET269 5.0 11.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase


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 SUMO1-Conjugated Thymine Dna Glycosylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl341 b:26.4 occ:1.00 ND1 A:HIS175 3.0 13.6 1.0 N A:GLY154 3.2 27.4 1.0 N A:HIS175 3.3 11.1 1.0 CB A:ASN174 3.7 15.1 1.0 CD1 A:TRP160 3.7 7.7 1.0 CA A:PRO153 3.9 19.2 1.0 CA A:ASN174 3.9 12.8 1.0 CG A:HIS175 3.9 12.1 1.0 CB A:HIS175 4.0 11.4 1.0 CE1 A:HIS175 4.0 14.4 1.0 C A:PRO153 4.0 23.6 1.0 C A:ASN174 4.1 12.4 1.0 CA A:GLY154 4.1 30.9 1.0 O A:TYR152 4.1 13.5 1.0 CA A:HIS175 4.2 11.8 1.0 O A:HOH382 4.4 16.8 1.0 NE1 A:TRP160 4.4 8.3 1.0 CG A:TRP160 4.4 9.7 1.0 CB A:PRO153 4.8 18.1 1.0 CB A:TRP160 4.8 7.8 1.0 C A:GLY154 4.9 32.4 1.0 N A:PRO153 4.9 16.7 1.0 CG A:ASN174 4.9 17.3 1.0 C A:TYR152 5.0 14.0 1.0 O A:HOH465 5.0 24.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of SUMO1-Conjugated Thymine Dna Glycosylase


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 SUMO1-Conjugated Thymine Dna Glycosylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl342 b:22.0 occ:1.00 N A:LEU120 3.2 15.2 1.0 CG A:LEU120 3.5 19.5 1.0 CB A:LEU120 3.5 18.1 1.0 CD1 A:LEU120 3.8 21.0 1.0 N A:LEU119 3.9 12.0 1.0 CB A:GLU118 3.9 14.4 1.0 CA A:LEU120 4.0 17.6 1.0 C A:GLU118 4.2 14.2 1.0 C A:LEU119 4.2 15.2 1.0 CA A:LEU119 4.3 14.2 1.0 CB A:LEU119 4.3 11.9 1.0 CA A:GLU118 4.5 14.4 1.0 O A:GLU118 4.7 14.0 1.0 OE1 A:GLU118 4.8 17.7 1.0 CD2 A:LEU120 4.9 19.7 1.0

D.Baba, N.Maita, J.G.Jee, Y.Uchimura, H.Saitoh, K.Sugasawa, F.Hanaoka, H.Tochio, H.Hiroaki, M.Shirakawa. Crystal Structure of Thymine Dna Glycosylase Conjugated to Sumo-1. Nature V. 435 979 2005.
ISSN: ISSN 0028-0836
PubMed: 15959518
DOI: 10.1038/NATURE03634