Chlorine in PDB 7e5u: Crystal Structure of PHM7

The structure of Crystal Structure of PHM7, PDB code: 7e5u was solved by K.Fujiyama, N.Kato, K.Kinugasa, T.Hino, S.Takahashi, S.Nagano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.87 / 1.62
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.206, 150.481, 99.333, 90, 97.35, 90
R / Rfree (%)	18.9 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of PHM7 (pdb code 7e5u). 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 PHM7, PDB code: 7e5u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of PHM7


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 PHM7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl411 b:37.5 occ:1.00 O B:HOH531 3.2 23.3 1.0 N B:HIS329 3.2 32.1 1.0 CB B:HIS329 3.6 33.2 1.0 OG B:SER327 3.6 29.4 1.0 ND1 B:HIS329 3.7 44.8 1.0 N B:GLU328 3.7 42.5 1.0 CA B:HIS329 3.9 37.2 1.0 CG B:HIS329 4.1 44.4 1.0 N B:GLY330 4.2 25.4 1.0 CB B:GLU328 4.2 60.5 1.0 C B:GLU328 4.2 53.9 1.0 CA B:GLU328 4.2 54.4 1.0 C B:SER327 4.5 45.1 1.0 C B:HIS329 4.5 36.5 1.0 CB B:SER327 4.7 38.2 1.0 CA B:SER327 4.7 33.2 1.0 CE1 B:HIS329 4.9 57.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of PHM7


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 PHM7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl412 b:54.8 occ:1.00 N B:ASP89 3.3 27.8 1.0 CG B:ASP89 3.4 36.5 1.0 CD B:PRO88 3.6 25.0 1.0 OD1 B:ASP89 3.6 33.2 1.0 CB B:ASP89 3.6 30.4 1.0 OD2 B:ASP89 3.6 46.6 1.0 N B:PRO88 3.8 21.9 1.0 NH1 B:ARG203 3.8 36.8 1.0 CB B:PRO88 3.8 24.9 1.0 CB B:TRP87 3.9 19.6 1.0 CA B:ASP89 4.1 28.9 1.0 C B:PRO88 4.1 21.8 1.0 CA B:PRO88 4.1 25.7 1.0 CG B:PRO88 4.1 25.5 1.0 CD1 B:TRP87 4.3 26.7 1.0 C B:TRP87 4.4 20.9 1.0 CG B:TRP87 4.5 21.5 1.0 CZ B:ARG203 4.7 41.3 1.0 CA B:TRP87 4.7 18.9 1.0

K.Fujiyama, N.Kato, S.Re, K.Kinugasa, K.Watanabe, R.Takita, T.Nogawa, T.Hino, H.Osada, Y.Sugita, S.Takahashi, S.Nagano. Molecular Basis For Two Stereoselective Diels-Alderases That Produce Decalin Skeletons. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 34121297
DOI: 10.1002/ANIE.202106186