Chlorine in PDB 7e36: Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin

The structure of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin, PDB code: 7e36 was solved by B.Zhang, H.M.Ge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.28, 104.99, 75.95, 90, 95.95, 90
R / Rfree (%)	16.5 / 20.5

The structure of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin (pdb code 7e36). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin, PDB code: 7e36:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:42.1 occ:1.00 OG A:SER307 3.2 35.8 1.0 O A:HOH595 3.4 41.8 1.0 CB A:ARG309 3.5 23.4 1.0 N A:ALA310 4.0 23.1 1.0 CB A:SER307 4.1 28.8 1.0 CG A:GLN192 4.1 21.1 1.0 CA A:GLN192 4.2 18.3 1.0 CD A:ARG316 4.3 27.4 1.0 CB A:ARG316 4.4 25.1 1.0 CA A:ARG309 4.5 23.2 1.0 CB A:GLN192 4.5 21.7 1.0 CG A:ARG309 4.5 21.4 1.0 CD A:ARG309 4.5 20.7 1.0 CG A:ARG316 4.5 20.4 1.0 CB A:ALA310 4.6 26.0 1.0 O A:PRO191 4.6 20.5 1.0 C A:ARG309 4.6 24.2 1.0 N A:ARG309 4.7 24.3 1.0 CA A:ALA310 4.8 28.1 1.0 OE1 A:GLN192 4.9 23.7 1.0 NE A:ARG316 5.0 27.8 1.0

Chlorine binding site 2 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:56.5 occ:1.00 O A:HOH710 2.5 27.5 1.0 O A:HOH731 2.9 32.5 1.0 O A:HOH706 3.0 28.4 1.0 CB A:ALA204 3.6 23.1 1.0 CA A:ALA204 4.4 20.1 1.0 O A:HOH639 4.4 26.5 1.0 O A:HOH553 4.5 23.0 1.0

Chlorine binding site 3 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:58.6 occ:1.00 NE A:ARG158 3.4 33.4 1.0 NH2 A:ARG158 3.7 43.2 1.0 O B:HOH697 3.8 35.6 1.0 O B:HOH788 3.9 48.7 1.0 O A:ARG156 3.9 26.8 1.0 CZ A:ARG158 4.0 41.6 1.0 CG A:ARG158 4.2 29.2 1.0 N A:ARG158 4.2 24.6 1.0 CB B:PRO31 4.4 34.0 1.0 CD A:ARG158 4.4 34.9 1.0 CB A:ARG158 4.5 24.2 1.0 CA A:ASP157 4.9 25.3 1.0 CA B:PRO31 5.0 23.7 1.0

Chlorine binding site 4 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:55.2 occ:1.00 O A:HOH667 3.2 41.7 1.0 N A:ASP276 3.4 23.7 1.0 CG A:ASP276 3.7 39.7 1.0 CB A:ASP276 3.8 32.9 1.0 OD2 A:ASP276 3.8 51.6 1.0 CB A:LEU275 3.8 27.7 1.0 OD1 A:ASP276 4.0 43.9 1.0 CA A:LEU275 4.2 21.1 1.0 CA A:ASP276 4.2 29.0 1.0 O A:HOH523 4.3 41.6 1.0 CD2 A:LEU275 4.3 32.2 1.0 C A:LEU275 4.3 28.3 1.0 NH1 A:ARG8 4.5 54.0 1.0 O A:HOH718 4.5 37.1 1.0 CG A:LEU275 4.5 27.5 1.0 NE A:ARG8 4.9 47.9 1.0 CD1 A:LEU275 4.9 30.2 1.0

Chlorine binding site 5 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:74.2 occ:1.00 N A:LEU185 2.6 23.0 1.0 O A:LEU145 2.8 21.8 1.0 CB A:SER148 3.1 40.9 1.0 O A:HOH583 3.2 25.5 1.0 CB A:LEU185 3.3 20.5 1.0 CB A:PRO184 3.3 29.9 1.0 CA A:LEU185 3.4 22.4 1.0 O A:LEU185 3.5 29.3 1.0 C A:PRO184 3.5 28.2 1.0 CA A:PRO184 3.5 25.1 1.0 OG A:SER148 3.6 43.8 1.0 CG A:LEU185 3.8 21.3 1.0 C A:LEU185 3.9 25.2 1.0 C A:LEU145 3.9 25.3 1.0 CD2 A:PHE149 4.0 29.5 1.0 O A:HOH563 4.1 24.2 1.0 CA A:SER148 4.2 39.6 1.0 CE2 A:PHE149 4.2 26.2 1.0 N A:SER148 4.2 23.2 1.0 CA A:LEU145 4.4 23.8 1.0 CD1 A:LEU185 4.5 18.4 1.0 O A:HOH505 4.5 36.9 1.0 N A:PHE149 4.6 31.4 1.0 O A:PRO184 4.7 24.3 1.0 C A:SER148 4.7 42.4 1.0 CG A:PRO184 4.7 28.4 1.0 CB A:LEU145 4.9 18.6 1.0 O A:ILE187 5.0 22.0 1.0 CD2 A:LEU145 5.0 21.7 1.0 N A:PRO184 5.0 31.8 1.0

Chlorine binding site 6 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:60.9 occ:1.00 O A:HOH721 2.3 52.4 1.0 N A:ILE257 3.4 25.1 1.0 CG1 A:ILE257 3.8 22.5 1.0 CA A:PRO256 3.9 27.1 1.0 CB A:ILE257 4.1 29.4 1.0 C A:PRO256 4.1 30.1 1.0 CA A:ILE257 4.3 29.5 1.0 CB A:PRO256 4.4 36.3 1.0 O A:HOH730 4.9 49.7 1.0

Chlorine binding site 7 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:30.0 occ:1.00 N A:GLN304 3.2 34.9 1.0 N A:ALA305 3.3 33.9 1.0 CB A:ALA305 3.7 30.4 1.0 CA A:GLY303 3.7 33.3 1.0 C A:GLY303 3.8 31.2 1.0 CA A:ALA305 4.1 28.6 1.0 CA A:GLN304 4.1 40.4 1.0 C A:GLN304 4.1 32.6 1.0 CA A:ARG311 4.5 25.4 1.0 CB A:GLN304 4.6 42.6 1.0 O A:ALA310 4.7 31.4 1.0 CG A:ARG311 4.8 39.7 1.0 O A:GLY303 4.9 31.1 1.0 O A:ARG311 5.0 31.1 1.0

Chlorine binding site 8 out of 8 in the Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:59.5 occ:1.00 O B:HOH793 3.0 46.1 1.0 N B:ASP282 3.5 27.0 1.0 O B:HOH608 3.8 46.5 1.0 CA B:PRO281 4.0 23.0 1.0 CG B:ASP282 4.1 48.5 1.0 CB B:ASP282 4.1 37.4 1.0 OD1 B:ASP282 4.3 46.8 1.0 CB B:PRO281 4.3 27.8 1.0 C B:PRO281 4.3 27.0 1.0 CA B:ASP282 4.5 32.4 1.0 OD2 B:ASP282 4.5 57.6 1.0

K.B.Wang, W.Wang, B.Zhang, X.Wang, Y.Chen, H.J.Zhu, Y.Liang, R.X.Tan, H.M.Ge. Oxidation, Cope Rearrangement, Tautomerization and Reduction Cascades Install 10/6/6-Tricyclic Core in Streptoseomycin To Be Published.