Chlorine in PDB 7sgy: Cannabis Sativa Bibenzyl Synthase

The structure of Cannabis Sativa Bibenzyl Synthase, PDB code: 7sgy was solved by M.S.Kimber, T.J.B.Forrester, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.69 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.44, 59.58, 70.94, 90, 107.7, 90
R / Rfree (%)	18.5 / 22.8

The binding sites of Chlorine atom in the Cannabis Sativa Bibenzyl Synthase (pdb code 7sgy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cannabis Sativa Bibenzyl Synthase, PDB code: 7sgy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cannabis Sativa Bibenzyl Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cannabis Sativa Bibenzyl Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:36.2 occ:1.00 O A:HOH552 2.9 45.0 1.0 CE1 A:HIS128 3.5 37.7 1.0 NZ A:LYS157 3.6 54.8 1.0 CB A:THR127 3.9 36.6 1.0 CE A:LYS157 3.9 48.7 1.0 CB A:ASN183 4.0 39.0 1.0 OG1 A:THR127 4.1 32.3 1.0 CG2 A:THR127 4.2 30.5 1.0 CB A:ALA186 4.2 33.8 1.0 NE2 A:HIS128 4.3 36.3 1.0 CG A:ASN183 4.4 41.0 1.0 ND1 A:HIS128 4.4 42.7 1.0 O A:HOH545 4.5 39.4 1.0 CA A:ALA186 4.6 37.5 1.0 ND2 A:ASN183 4.7 46.3 1.0 CD A:LYS157 4.7 39.8 1.0 O A:HOH543 4.8 52.5 1.0 OD1 A:ASN183 4.9 40.9 1.0 O A:LYS184 5.0 47.7 1.0

Chlorine binding site 2 out of 2 in the Cannabis Sativa Bibenzyl Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cannabis Sativa Bibenzyl Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:61.3 occ:1.00 NZ B:LYS157 3.3 57.1 1.0 CE1 B:HIS128 3.5 48.1 1.0 CB B:THR127 3.8 52.5 1.0 CG2 B:THR127 4.0 48.6 1.0 OG1 B:THR127 4.1 50.5 1.0 CB B:ASN183 4.1 46.2 1.0 CE B:LYS157 4.2 50.1 1.0 CB B:ALA186 4.2 50.3 1.0 NE2 B:HIS128 4.2 48.4 1.0 ND1 B:HIS128 4.4 48.0 1.0 CA B:ALA186 4.4 45.9 1.0 CG B:ASN183 4.6 47.0 1.0 OD1 B:ASN183 4.6 47.9 1.0 O B:HOH523 4.9 57.5 1.0 N B:ALA186 4.9 48.1 1.0 CD B:LYS157 5.0 49.7 1.0

K.Boddington, E.Soubeyrand, K.Van Gelder, J.A.Casaretto, C.Perrin, T.J.B.Forrester, C.Parry, M.S.Al-Abdul-Wahid, N.G.Jentsch, J.Magolan, G.G.Bozzo, M.S.Kimber, S.J.Rothstein, T.A.Akhtar. Bibenzyl Synthesis in Cannabis Sativa L. Plant J. 2021.
ISSN: ESSN 1365-313X
PubMed: 34786774
DOI: 10.1111/TPJ.15588