Chlorine in PDB 8rdn: Holomycin Methyltransferase Dtpm with Sah and Xrd-271

The structure of Holomycin Methyltransferase Dtpm with Sah and Xrd-271, PDB code: 8rdn was solved by E.M.Huber, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	112.4, 218.83, 55.35, 90, 90, 90
R / Rfree (%)	19.3 / 22.2

The structure of Holomycin Methyltransferase Dtpm with Sah and Xrd-271 also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Holomycin Methyltransferase Dtpm with Sah and Xrd-271 (pdb code 8rdn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Holomycin Methyltransferase Dtpm with Sah and Xrd-271, PDB code: 8rdn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Holomycin Methyltransferase Dtpm with Sah and Xrd-271


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Holomycin Methyltransferase Dtpm with Sah and Xrd-271 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:62.6 occ:1.00 O3 B:GOL404 3.1 65.5 1.0 NE2 B:GLN17 3.6 45.3 1.0 NH1 B:ARG18 3.6 42.1 1.0 C3 B:GOL404 3.7 64.8 1.0 CD B:ARG18 4.3 38.8 1.0 CG B:GLN17 4.4 41.5 1.0 O B:GLN17 4.4 41.0 1.0 CD B:GLN17 4.5 43.0 1.0 CA B:ARG18 4.7 36.6 1.0 CZ B:ARG18 4.7 41.5 1.0 C B:GLN17 4.8 39.6 1.0 N B:ARG18 5.0 37.8 1.0 NE B:ARG18 5.0 39.4 1.0

Chlorine binding site 2 out of 3 in the Holomycin Methyltransferase Dtpm with Sah and Xrd-271


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Holomycin Methyltransferase Dtpm with Sah and Xrd-271 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:72.3 occ:1.00 CE1 C:HIS223 4.1 59.3 1.0 ND1 C:HIS223 4.3 58.5 1.0 O C:HIS223 4.5 46.0 1.0 CA C:ASP224 4.6 50.5 1.0 NE2 C:HIS223 5.0 59.3 1.0

Chlorine binding site 3 out of 3 in the Holomycin Methyltransferase Dtpm with Sah and Xrd-271


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Holomycin Methyltransferase Dtpm with Sah and Xrd-271 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:71.3 occ:1.00 NH1 D:ARG18 3.7 37.5 1.0 NE2 D:GLN17 4.1 40.5 1.0 CG D:GLN17 4.4 37.9 1.0 O D:GLN17 4.4 36.6 1.0 CD D:ARG18 4.7 36.8 1.0 CD D:GLN17 4.8 39.1 1.0 CZ D:ARG18 4.9 38.5 1.0 C D:GLN17 4.9 36.7 1.0

L.Su, E.M.Huber, M.Westphalen, J.Gellner, E.Bode, T.Kobel, P.Grun, M.M.Alanjary, T.Glatter, K.Cirnski, R.Muller, D.Schindler, M.Groll, H.B.Bode. Isofunctional But Structurally Different Methyltransferases For Dithiolopyrrolone Diversification. Angew.Chem.Int.Ed.Engl. 10799 2024.
ISSN: ESSN 1521-3773
PubMed: 39185606
DOI: 10.1002/ANIE.202410799