Chlorine in PDB 6elw: High Resolution Structure of Selenocysteine Containing Human GPX4

All present enzymatic activity of High Resolution Structure of Selenocysteine Containing Human GPX4:
1.11.1.12;

The structure of High Resolution Structure of Selenocysteine Containing Human GPX4, PDB code: 6elw was solved by J.Kalms, A.Borchert, H.Kuhn, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.52 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.963, 69.000, 35.666, 90.00, 115.12, 90.00
R / Rfree (%)	12.4 / 15.5

The binding sites of Chlorine atom in the High Resolution Structure of Selenocysteine Containing Human GPX4 (pdb code 6elw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the High Resolution Structure of Selenocysteine Containing Human GPX4, PDB code: 6elw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the High Resolution Structure of Selenocysteine Containing Human GPX4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Structure of Selenocysteine Containing Human GPX4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.1 occ:1.00 NZ A:LYS135 3.1 9.1 1.0 O A:HOH482 3.1 11.5 1.0 N A:LEU130 3.3 13.9 1.0 N A:ILE129 3.4 12.8 1.0 CG A:LYS135 3.6 7.9 1.0 CE A:LYS135 3.7 9.4 1.0 CA A:GLY128 3.7 11.6 1.0 CB A:LEU130 3.8 13.8 1.0 C A:GLY128 3.8 12.5 1.0 O A:GLY131 3.9 11.8 1.0 CG2 A:ILE129 4.0 18.0 1.0 N A:GLY131 4.0 12.7 1.0 CA A:LEU130 4.0 15.7 1.0 C A:ILE129 4.2 16.1 1.0 CD A:LYS135 4.2 9.5 1.0 CA A:ILE129 4.3 15.6 1.0 O A:HOH452 4.4 21.8 0.5 C A:LEU130 4.5 14.4 1.0 O A:HOH391 4.5 12.8 1.0 O A:GLY128 4.6 14.8 1.0 NH2 A:ARG152 4.6 7.5 1.0 CB A:ILE129 4.7 19.2 1.0 N A:GLY128 4.8 12.4 1.0 O A:ALA133 4.8 6.8 1.0 O A:HOH385 4.8 7.6 1.0 C A:GLY131 4.8 10.4 1.0 CB A:LYS135 5.0 6.9 1.0

Chlorine binding site 2 out of 3 in the High Resolution Structure of Selenocysteine Containing Human GPX4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Structure of Selenocysteine Containing Human GPX4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:13.9 occ:0.90 NE2 A:HIS60 3.1 14.1 1.0 O A:HOH356 3.2 15.4 1.0 O A:HOH436 3.2 10.5 1.0 O A:HOH328 3.5 19.7 1.0 CD A:ARG69 3.6 7.7 1.0 CE1 A:HIS60 3.6 15.6 1.0 NE A:ARG69 3.8 8.3 1.0 O A:HOH313 4.0 28.6 1.0 CZ A:ARG69 4.3 7.9 1.0 CD2 A:HIS60 4.3 13.4 1.0 O A:LYS99 4.3 10.2 0.5 O A:LYS99 4.4 9.8 0.5 NH1 A:ARG69 4.6 8.0 1.0 O A:HOH407 4.7 11.0 0.5 OD2 A:ASP101 4.7 11.2 1.0 CA A:PHE100 4.8 8.3 1.0 ND1 A:HIS60 4.9 14.4 1.0 NH2 A:ARG69 5.0 8.7 1.0

Chlorine binding site 3 out of 3 in the High Resolution Structure of Selenocysteine Containing Human GPX4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High Resolution Structure of Selenocysteine Containing Human GPX4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.4 occ:0.90 O A:HOH476 2.9 21.0 1.0 N A:LYS20 3.2 8.7 0.5 N A:LYS20 3.2 8.6 0.5 O A:HOH409 3.2 27.0 1.0 NE2 A:HIS114 3.4 11.2 1.0 CA A:ALA19 3.5 9.1 1.0 CD2 A:HIS114 3.7 10.8 1.0 C A:ALA19 3.8 8.9 1.0 CE A:MET26 4.0 20.9 1.0 CB A:LYS20 4.1 11.4 0.5 O A:SER18 4.1 8.8 1.0 CB A:ALA19 4.2 10.1 1.0 CB A:LYS20 4.3 11.8 0.5 CA A:LYS20 4.3 9.4 0.5 CG A:LYS20 4.3 14.7 0.5 SD A:MET26 4.3 17.2 1.0 CA A:LYS20 4.3 9.4 0.5 N A:ALA19 4.5 7.8 1.0 O A:HOH393 4.6 9.0 1.0 CE1 A:HIS114 4.6 9.7 1.0 C A:SER18 4.7 7.4 1.0

A.Borchert, J.Kalms, S.R.Roth, M.Rademacher, A.Schmidt, H.G.Holzhutter, H.Kuhn, P.Scheerer. Crystal Structure and Functional Characterization of Selenocysteine-Containing Glutathione Peroxidase 4 Suggests An Alternative Mechanism of Peroxide Reduction. Biochim. Biophys. Acta V.1863 1095 2018.
ISSN: ISSN 0006-3002
PubMed: 29883798
DOI: 10.1016/J.BBALIP.2018.06.006