Chlorine in PDB 2wul: Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster

The structure of Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster, PDB code: 2wul was solved by A.K.Roos, C.Johansson, K.Guo, W.W.Yue, A.C.W.Pike, C.D.O.Cooper, E.S.Pilka, K.L.Kavanagh, A.Chaikuad, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.07 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.995, 68.995, 229.331, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.1

The structure of Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster (pdb code 2wul). 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 Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster, PDB code: 2wul:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster


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 Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1150 b:43.9 occ:1.00 NH2 A:ARG97 3.2 9.0 1.0 O B:PRO65 3.3 18.2 1.0 O B:CYS67 3.6 14.8 1.0 C B:CYS67 3.6 12.0 1.0 N B:CYS67 3.7 14.8 1.0 C B:PRO65 3.7 17.2 1.0 NH1 A:ARG97 3.8 9.4 1.0 CB B:PRO65 3.8 16.9 1.0 CB B:ASN71 3.9 15.1 1.0 CZ A:ARG97 3.9 13.3 1.0 N B:GLY68 4.0 10.8 1.0 CA B:CYS67 4.1 12.3 1.0 CG B:ASN71 4.3 19.8 1.0 C B:GLN66 4.3 16.1 1.0 N B:GLN66 4.3 18.1 1.0 CA B:PRO65 4.4 16.8 1.0 CA B:GLY68 4.4 10.6 1.0 CG B:PRO65 4.5 19.8 1.0 CA B:GLN66 4.6 17.4 1.0 ND2 B:ASN71 4.6 15.0 1.0 OD1 B:ASN71 4.7 15.8 1.0 CD B:PRO65 4.8 16.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster


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 Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1150 b:42.9 occ:1.00 NH2 C:ARG97 3.0 12.7 1.0 C D:CYS67 3.6 10.9 1.0 N D:CYS67 3.7 7.8 1.0 CB D:ASN71 3.8 18.6 1.0 O D:CYS67 3.8 13.7 1.0 O D:PRO65 3.8 14.1 1.0 N D:GLY68 3.8 9.7 1.0 CZ C:ARG97 4.0 16.9 1.0 NH1 C:ARG97 4.0 12.7 1.0 C D:PRO65 4.0 15.4 1.0 CG D:PRO65 4.0 20.1 1.0 CB D:PRO65 4.1 16.6 1.0 CA D:CYS67 4.1 10.6 1.0 CG D:ASN71 4.2 16.5 1.0 CA D:GLY68 4.2 8.5 1.0 ND2 D:ASN71 4.3 19.1 1.0 N D:GLN66 4.4 14.1 1.0 C D:GLN66 4.4 13.3 1.0 CA D:GLN66 4.6 13.5 1.0 CA D:PRO65 4.6 16.7 1.0 OD1 D:ASN71 4.9 19.9 1.0 O31 C:GSH300 4.9 24.1 1.0 CA D:ASN71 5.0 16.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster


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 Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1151 b:44.5 occ:1.00 NZ D:LYS53 3.1 21.9 1.0 CE D:LYS53 4.2 22.0 1.0 CD D:LYS53 4.3 21.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster


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 Human Glutaredoxin 5 with Bound Glutathione in An Fes Cluster within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1152 b:63.1 occ:1.00 NZ D:LYS50 2.9 22.5 1.0 OD1 D:ASP46 3.9 15.0 1.0 CE D:LYS50 4.1 23.1 1.0 OD2 D:ASP46 4.3 15.1 1.0 CG D:ASP46 4.5 10.8 1.0

C.Johansson, A.K.Roos, S.J.Montano, R.Sengupta, P.Filippakopoulos, K.Guo, F.Von Delft, A.Holmgren, U.Oppermann, K.L.Kavanagh. The Crystal Structure of Human GLRX5: Iron Sulphur Cluster Coordination, Tetrameric Assembly and Monomer Activity. Biochem.J. V. 433 303 2011.
ISSN: ISSN 0264-6021
PubMed: 21029046
DOI: 10.1042/BJ20101286