Chlorine in PDB 6ryz: Sall with S-Adenosyl Methionine

All present enzymatic activity of Sall with S-Adenosyl Methionine:
2.5.1.94;

The structure of Sall with S-Adenosyl Methionine, PDB code: 6ryz was solved by I.Mckean, A.Frese, A.Cuetos, G.Burley, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.00 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.928, 110.996, 163.997, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.3

The binding sites of Chlorine atom in the Sall with S-Adenosyl Methionine (pdb code 6ryz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Sall with S-Adenosyl Methionine, PDB code: 6ryz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Sall with S-Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sall with S-Adenosyl Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:15.3 occ:1.00 N A:GLY131 3.0 12.4 1.0 C5' B:SAM302 3.2 16.8 1.0 C4' B:SAM302 3.3 14.7 1.0 N A:TYR130 3.5 12.9 1.0 CB A:THR75 3.6 14.3 1.0 CB A:TYR72 3.6 12.1 1.0 OG1 A:THR75 3.7 14.7 1.0 CA A:TRP129 3.7 13.6 1.0 CA A:GLY131 3.7 12.2 1.0 C A:TRP129 3.8 12.7 1.0 CD1 A:TRP129 3.8 13.7 1.0 CD2 A:TYR72 3.9 13.4 1.0 CD1 A:TYR70 3.9 11.3 1.0 C A:TYR130 4.0 12.0 1.0 CG2 A:THR75 4.0 13.9 1.0 CG A:TYR72 4.0 12.1 1.0 O A:THR128 4.1 12.3 1.0 CE1 A:TYR70 4.1 12.7 1.0 CA A:TYR130 4.1 12.5 1.0 O A:TYR72 4.2 13.3 1.0 O3' B:SAM302 4.2 12.8 1.0 O4' B:SAM302 4.3 13.5 1.0 C3' B:SAM302 4.3 12.4 1.0 CB A:TYR130 4.4 14.1 1.0 N A:TRP129 4.4 13.1 1.0 C A:THR128 4.5 13.7 1.0 CG A:TRP129 4.6 13.0 1.0 O A:TRP129 4.7 12.4 1.0 CA A:TYR72 4.7 11.4 1.0 CB A:TRP129 4.7 13.8 1.0 NE1 A:TRP129 4.8 14.1 1.0 C A:TYR72 4.8 11.9 1.0 CG A:TYR70 4.8 10.9 1.0 CA A:THR75 4.9 12.6 1.0 CE2 A:TYR72 4.9 13.6 1.0 C A:GLY131 5.0 12.0 1.0

Chlorine binding site 2 out of 3 in the Sall with S-Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sall with S-Adenosyl Methionine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:13.1 occ:1.00 N B:GLY131 3.0 10.5 1.0 C5' C:SAM302 3.2 14.6 1.0 C4' C:SAM302 3.3 13.2 1.0 N B:TYR130 3.5 10.8 1.0 CB B:THR75 3.6 10.8 1.0 CB B:TYR72 3.6 11.0 1.0 OG1 B:THR75 3.7 11.4 1.0 CA B:TRP129 3.7 10.3 1.0 CA B:GLY131 3.7 10.2 1.0 CD1 B:TRP129 3.8 10.3 1.0 C B:TRP129 3.8 10.5 1.0 CD1 B:TYR70 3.9 10.6 1.0 CD2 B:TYR72 3.9 9.7 1.0 CG2 B:THR75 4.0 11.7 1.0 C B:TYR130 4.0 10.4 1.0 CG B:TYR72 4.0 9.7 1.0 CE1 B:TYR70 4.1 10.5 1.0 O B:THR128 4.1 11.0 1.0 CA B:TYR130 4.2 10.2 1.0 O3' C:SAM302 4.2 11.4 1.0 O B:TYR72 4.2 11.0 1.0 O4' C:SAM302 4.2 12.7 1.0 C3' C:SAM302 4.3 11.3 1.0 CB B:TYR130 4.3 11.3 1.0 N B:TRP129 4.4 11.9 1.0 C B:THR128 4.6 11.5 1.0 CG B:TRP129 4.6 10.0 1.0 O B:TRP129 4.7 11.0 1.0 CA B:TYR72 4.7 10.7 1.0 NE1 B:TRP129 4.8 11.0 1.0 CB B:TRP129 4.8 10.4 1.0 CG B:TYR70 4.8 9.0 1.0 C B:TYR72 4.8 10.1 1.0 CA B:THR75 4.9 10.7 1.0 C B:GLY131 4.9 11.1 1.0 CE2 B:TYR72 5.0 9.5 1.0 SD C:SAM302 5.0 17.1 1.0

Chlorine binding site 3 out of 3 in the Sall with S-Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Sall with S-Adenosyl Methionine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:13.4 occ:1.00 N C:GLY131 3.0 10.9 1.0 C5' A:SAM301 3.4 14.6 1.0 C4' A:SAM301 3.4 13.2 1.0 N C:TYR130 3.4 10.4 1.0 CB C:TYR72 3.6 10.5 1.0 CB C:THR75 3.6 12.2 1.0 OG1 C:THR75 3.7 11.8 1.0 CA C:TRP129 3.7 10.9 1.0 CA C:GLY131 3.7 11.4 1.0 C C:TRP129 3.8 11.0 1.0 CD1 C:TRP129 3.8 11.6 1.0 CD2 C:TYR72 3.9 10.6 1.0 CD1 C:TYR70 3.9 10.1 1.0 CG C:TYR72 4.0 10.4 1.0 C C:TYR130 4.0 11.3 1.0 CG2 C:THR75 4.0 12.7 1.0 CE1 C:TYR70 4.1 10.2 1.0 O C:THR128 4.1 12.6 1.0 CA C:TYR130 4.1 11.3 1.0 O3' A:SAM301 4.2 12.4 1.0 O C:TYR72 4.2 11.9 1.0 O4' A:SAM301 4.3 12.3 1.0 CB C:TYR130 4.4 12.3 1.0 C3' A:SAM301 4.4 12.2 1.0 N C:TRP129 4.4 10.8 1.0 C C:THR128 4.6 12.0 1.0 CG C:TRP129 4.7 11.0 1.0 O C:TRP129 4.7 10.9 1.0 CA C:TYR72 4.7 9.9 1.0 NE1 C:TRP129 4.8 12.5 1.0 CB C:TRP129 4.8 10.6 1.0 CG C:TYR70 4.8 9.4 1.0 C C:TYR72 4.9 10.4 1.0 CE2 C:TYR72 4.9 11.8 1.0 CA C:THR75 4.9 11.7 1.0 C C:GLY131 5.0 11.4 1.0

I.J.W.Mckean, J.C.Sadler, A.Cuetos, A.Frese, L.D.Humphreys, G.Grogan, P.A.Hoskisson, G.A.Burley. S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation. Angew.Chem.Int.Ed.Engl. V. 58 17583 2019.
ISSN: ESSN 1521-3773
PubMed: 31573135
DOI: 10.1002/ANIE.201908681