Chlorine in PDB 5n0r: Crystal Structure of Opha-DELTAC6 Mutant Y66F in Complex with Sam

The structure of Crystal Structure of Opha-DELTAC6 Mutant Y66F in Complex with Sam, PDB code: 5n0r was solved by H.Song, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.68 / 1.61
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.652, 93.355, 165.355, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 19.1

The binding sites of Chlorine atom in the Crystal Structure of Opha-DELTAC6 Mutant Y66F in Complex with Sam (pdb code 5n0r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Opha-DELTAC6 Mutant Y66F in Complex with Sam, PDB code: 5n0r:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Opha-DELTAC6 Mutant Y66F in Complex with Sam


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 Opha-DELTAC6 Mutant Y66F in Complex with Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:45.7 occ:1.00 O A:HOH865 3.1 54.0 1.0 NE2 A:GLN78 3.7 30.8 1.0 CB A:ASN74 3.9 34.5 1.0 ND2 A:ASN74 3.9 37.9 1.0 CE A:LYS70 4.1 37.5 1.0 CG A:ASN74 4.2 36.2 1.0 CD A:GLN78 4.5 29.8 1.0 O A:HOH845 4.6 50.3 1.0 NZ A:LYS70 4.7 36.6 1.0 CG A:LYS70 4.9 39.6 1.0 CD A:LYS70 4.9 38.5 1.0 OE1 A:GLN78 5.0 29.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Opha-DELTAC6 Mutant Y66F in Complex with Sam


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 Opha-DELTAC6 Mutant Y66F in Complex with Sam within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:38.9 occ:1.00 NE2 A:GLN28 2.7 22.9 1.0 OG1 A:THR26 2.7 22.7 1.0 O A:PRO126 2.8 23.3 1.0 CG A:GLN28 3.3 24.9 1.0 CD A:GLN28 3.5 25.7 1.0 CB A:THR26 3.5 22.4 1.0 CG2 A:THR26 3.5 22.8 1.0 O A:HOH731 3.5 23.3 1.0 C A:PRO126 4.0 22.3 1.0 CB A:LEU125 4.1 24.0 1.0 N A:PRO126 4.3 22.3 1.0 CD A:PRO126 4.4 22.5 1.0 O A:HOH703 4.4 22.7 1.0 CG A:PRO126 4.5 22.1 1.0 C A:LEU125 4.5 23.1 1.0 OE1 A:GLN28 4.7 29.2 1.0 N A:ALA29 4.7 23.7 1.0 CA A:PRO126 4.7 22.1 1.0 CB A:GLN28 4.8 24.7 1.0 CA A:LEU125 4.8 23.2 1.0 O A:LEU125 4.9 22.7 1.0 CA A:THR26 4.9 22.6 1.0 N A:GLY127 5.0 21.5 1.0

H.Song, N.S.Van Der Velden, S.L.Shiran, P.Bleiziffer, C.Zach, R.Sieber, A.S.Imani, F.Krausbeck, M.Aebi, M.F.Freeman, S.Riniker, M.Kunzler, J.H.Naismith. A Molecular Mechanism For the Enzymatic Methylation of Nitrogen Atoms Within Peptide Bonds. Sci Adv V. 4 T2720 2018.
ISSN: ESSN 2375-2548
PubMed: 30151425
DOI: 10.1126/SCIADV.AAT2720