Chlorine in PDB 8aep: Reductase Domain of the Carboxylate Reductase of Neurospora Crassa

The structure of Reductase Domain of the Carboxylate Reductase of Neurospora Crassa, PDB code: 8aep was solved by B.Daniel, A.Schrufer, L.Marlene, T.Sagmeister, T.Pavkov-Keller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.65 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.235, 137.487, 66.513, 90, 112.33, 90
R / Rfree (%)	20 / 25.9

The binding sites of Chlorine atom in the Reductase Domain of the Carboxylate Reductase of Neurospora Crassa (pdb code 8aep). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Reductase Domain of the Carboxylate Reductase of Neurospora Crassa, PDB code: 8aep:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Reductase Domain of the Carboxylate Reductase of Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reductase Domain of the Carboxylate Reductase of Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:20.2 occ:1.00 HH22 A:ARG792 2.5 15.2 1.0 HH12 A:ARG792 2.6 14.2 1.0 HG3 A:PRO789 3.1 17.7 1.0 HG2 A:GLU788 3.1 19.8 1.0 HB3 A:GLU788 3.3 19.3 1.0 HD3 A:PRO789 3.3 17.7 1.0 NH2 A:ARG792 3.4 15.3 1.0 NH1 A:ARG792 3.4 13.8 1.0 CG A:GLU788 3.7 19.5 1.0 CD A:PRO789 3.8 18.0 1.0 CZ A:ARG792 3.9 14.9 1.0 CG A:PRO789 3.9 17.7 1.0 HA A:PRO789 3.9 17.3 1.0 N A:PRO789 3.9 16.9 1.0 CB A:GLU788 3.9 19.0 1.0 CD A:GLU788 3.9 21.4 1.0 HH21 A:ARG792 4.1 15.2 1.0 OE1 A:GLU788 4.1 21.9 1.0 HH11 A:ARG792 4.1 14.2 1.0 C A:GLU788 4.3 18.1 1.0 CA A:PRO789 4.3 17.6 1.0 OE2 A:GLU788 4.5 23.1 1.0 HG2 A:PRO789 4.6 17.7 1.0 HG3 A:GLU788 4.6 19.8 1.0 CB A:PRO789 4.6 17.3 1.0 CA A:GLU788 4.6 19.6 1.0 HB2 A:GLU788 4.7 19.3 1.0 O A:HOH1226 4.7 16.1 1.0 HB3 A:PRO789 4.7 17.4 1.0 HD2 A:PRO789 4.8 17.7 1.0 O A:GLU788 4.8 18.4 1.0

Chlorine binding site 2 out of 2 in the Reductase Domain of the Carboxylate Reductase of Neurospora Crassa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Reductase Domain of the Carboxylate Reductase of Neurospora Crassa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1101 b:20.8 occ:1.00 HH22 B:ARG792 2.5 15.1 1.0 HH12 B:ARG792 2.6 15.7 1.0 HG2 B:GLU788 3.0 18.9 1.0 HB3 B:GLU788 3.1 18.3 1.0 HG3 B:PRO789 3.3 19.2 1.0 HD3 B:PRO789 3.3 18.6 1.0 NH2 B:ARG792 3.4 15.0 1.0 NH1 B:ARG792 3.4 15.9 1.0 CG B:GLU788 3.7 18.8 1.0 HA B:PRO789 3.8 19.1 1.0 CZ B:ARG792 3.8 15.3 1.0 CB B:GLU788 3.8 18.4 1.0 CD B:PRO789 3.8 18.4 1.0 N B:PRO789 3.8 18.1 1.0 CD B:GLU788 4.0 19.8 1.0 CG B:PRO789 4.0 19.4 1.0 OE1 B:GLU788 4.0 22.1 1.0 HH21 B:ARG792 4.1 15.1 1.0 HH11 B:ARG792 4.1 15.7 1.0 C B:GLU788 4.2 17.3 1.0 CA B:PRO789 4.3 19.0 1.0 HG3 B:GLU788 4.5 18.9 1.0 CA B:GLU788 4.6 17.7 1.0 HB2 B:GLU788 4.6 18.3 1.0 CB B:PRO789 4.6 19.5 1.0 HB3 B:PRO789 4.6 19.3 1.0 OE2 B:GLU788 4.6 18.3 1.0 O B:GLU788 4.7 15.9 1.0 HG2 B:PRO789 4.8 19.2 1.0 HD2 B:PRO789 4.8 18.6 1.0

B.Daniel, A.Schrufer, L.Marlene, T.Sagmeister, T.Pavkov-Keller, W.Margit, H.Chiam, H.Stolterfoht. Reductase Domain of the Carboxylate Reductase of Neurospora Crassa To Be Published.