Chlorine in PDB 6bq6: Crystal Structure of Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine

The structure of Crystal Structure of Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine, PDB code: 6bq6 was solved by B.Sekula, Z.Dauter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.61 / 1.65
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.293, 80.293, 163.245, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 23

The binding sites of Chlorine atom in the Crystal Structure of Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine (pdb code 6bq6). 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 Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine, PDB code: 6bq6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine


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 Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:29.2 occ:1.00 O A:HOH640 2.9 29.6 1.0 N A:GLY110 3.3 26.5 1.0 N A:ALA113 3.3 19.7 1.0 CA A:GLY110 3.5 26.0 1.0 N A:THR112 3.6 20.9 1.0 N A:GLY108 3.6 33.1 1.0 C A:GLY110 3.6 25.1 1.0 CE A:MET127 3.7 36.3 1.0 CB A:THR112 3.7 21.0 1.0 CA A:GLY107 3.8 29.0 1.0 N A:SER111 3.9 23.9 1.0 CB A:ALA113 3.9 21.1 1.0 CA A:THR112 4.0 20.4 1.0 SD A:MET127 4.1 37.7 1.0 CG A:MET127 4.1 32.6 1.0 C A:GLY107 4.1 33.3 1.0 C A:THR112 4.1 20.1 1.0 O A:GLY110 4.2 25.6 1.0 CA A:ALA113 4.2 20.1 1.0 CD1 A:ILE104 4.3 21.6 1.0 N A:GLU109 4.3 29.9 1.0 OG1 A:THR112 4.3 21.4 1.0 C A:SER111 4.5 22.0 1.0 C A:GLU109 4.5 28.4 1.0 C A:GLY108 4.6 31.3 1.0 CA A:GLY108 4.6 32.0 1.0 CG2 A:THR112 4.7 20.4 1.0 CA A:SER111 4.8 23.2 1.0 CB A:MET127 4.9 29.9 1.0 CA A:GLU109 5.0 29.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine


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 Medicago Truncatula Thermospermine Synthase (Mttsps) in Complex with Thermospermine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:29.4 occ:1.00 O B:HOH659 3.1 27.3 1.0 N B:ALA113 3.3 18.9 1.0 N B:GLY110 3.3 23.0 1.0 CA B:GLY110 3.3 22.7 1.0 C B:GLY110 3.5 21.8 1.0 CB B:THR112 3.6 19.4 1.0 N B:THR112 3.6 19.8 1.0 CE B:MET127 3.7 33.2 1.0 N B:GLY108 3.8 28.5 1.0 CB B:ALA113 3.8 20.0 1.0 N B:SER111 3.8 21.1 1.0 CA B:GLY107 3.8 27.3 1.0 CA B:THR112 4.0 18.8 1.0 O B:GLY110 4.1 21.2 1.0 C B:GLY107 4.1 31.1 1.0 C B:THR112 4.1 18.8 1.0 CA B:ALA113 4.1 19.7 1.0 SD B:MET127 4.1 37.0 1.0 CD1 B:ILE104 4.2 18.2 1.0 CG B:MET127 4.2 30.0 1.0 OG1 B:THR112 4.3 20.1 1.0 N B:GLU109 4.4 24.6 1.0 C B:SER111 4.5 19.8 1.0 C B:GLU109 4.5 24.5 1.0 CG2 B:THR112 4.6 20.1 1.0 C B:GLY108 4.7 25.9 1.0 CA B:GLY108 4.7 26.7 1.0 CA B:SER111 4.7 20.4 1.0

B.Sekula, Z.Dauter. Crystal Structure of Thermospermine Synthase Frommedicago Truncatulaand Substrate Discriminatory Features of Plant Aminopropyltransferases. Biochem. J. V. 475 787 2018.
ISSN: ESSN 1470-8728
PubMed: 29367265
DOI: 10.1042/BCJ20170900