Chlorine in PDB 4qgn: Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center

All present enzymatic activity of Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center:
1.13.11.54;

The structure of Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center, PDB code: 4qgn was solved by A.M.Milaczewska, M.Chruszcz, J.J.Petkowski, E.Niedzialkowska, W.Minor, T.Borowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.25 / 3.05
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	105.195, 105.195, 40.822, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 22.8

The structure of Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center (pdb code 4qgn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center, PDB code: 4qgn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:42.4 occ:1.00 NH2 A:ARG96 3.0 32.3 1.0 CE A:MSE204 3.6 45.2 0.3 SE A:MSE204 3.6 48.8 0.3 CE1 A:PHE84 3.7 43.9 1.0 O A:HOH309 3.9 15.7 1.0 NE A:ARG147 3.9 35.1 1.0 CZ A:ARG96 3.9 31.2 1.0 NH1 A:ARG96 4.1 31.0 1.0 CG A:MSE204 4.1 47.8 0.3 CZ A:PHE84 4.1 45.3 1.0 NH1 A:ARG147 4.2 38.6 1.0 CA A:MSE204 4.3 46.5 0.3 CA A:MSE204 4.3 51.1 0.7 CG A:MSE204 4.4 72.1 0.7 CZ A:ARG147 4.5 37.3 1.0 CD1 A:ILE67 4.5 28.0 1.0 O A:HOH322 4.5 24.8 1.0 CD1 A:PHE84 4.6 43.3 1.0 CB A:MSE204 4.8 46.6 0.3 N A:MSE204 4.8 46.3 1.0 CD A:ARG147 4.8 34.3 1.0 CG A:ARG147 5.0 32.9 1.0 CB A:MSE204 5.0 59.5 0.7

Chlorine binding site 2 out of 2 in the Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:49.4 occ:1.00 N A:TYR77 3.5 38.0 1.0 N A:ASN76 3.6 39.6 1.0 CA A:ASN76 3.7 39.9 1.0 C A:ASN76 4.0 38.0 1.0 CB A:TYR77 4.4 38.6 1.0 CA A:TYR77 4.5 38.5 1.0 C A:PRO75 4.7 38.0 1.0 N A:GLU78 4.7 43.7 1.0 O A:LEU74 4.8 39.0 1.0 O A:LYS71 5.0 43.2 1.0

A.M.Milaczewska, M.Chruszcz, J.J.Petkowski, E.Niedzialkowska, W.Minor, T.Borowski. Human Acireductone Dioxygenase with Iron Ion and L-Methionine in Active Center To Be Published.