Chlorine in PDB 6e1q: ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db

The structure of ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db, PDB code: 6e1q was solved by A.M.Sharp, S.G.Lee, J.M.Jez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.70 / 2.15
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	153.798, 154.789, 73.424, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.4

The binding sites of Chlorine atom in the ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db (pdb code 6e1q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db, PDB code: 6e1q:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.7 occ:0.84 CL3 A:CFA602 0.0 0.7 0.8 C2' A:CFA602 1.8 0.9 0.8 O A:HOH820 2.4 48.0 1.0 C3' A:CFA602 2.7 0.7 0.8 C1' A:CFA602 2.8 1.0 0.8 O1' A:CFA602 3.1 0.3 0.8 O A:ALA217 3.3 34.4 1.0 CA A:SER299 3.8 30.0 1.0 CG A:GLU298 3.9 33.8 1.0 C4' A:CFA602 4.0 0.4 0.8 C6' A:CFA602 4.1 0.7 0.8 O A:PRO218 4.1 27.3 1.0 O A:GLU298 4.1 28.3 1.0 N A:SER299 4.2 29.7 1.0 OE2 A:GLU298 4.2 37.0 1.0 C A:ALA217 4.2 27.3 1.0 C A:GLU298 4.3 31.9 1.0 C A:SER299 4.4 37.8 1.0 C2 A:CFA602 4.5 0.6 0.8 CA A:PRO218 4.5 26.9 1.0 N A:ILE300 4.5 34.5 1.0 C5' A:CFA602 4.6 0.9 0.8 CD A:GLU298 4.6 38.5 1.0 C A:PRO218 4.6 31.6 1.0 N A:PRO218 4.8 30.8 1.0 CB A:SER299 4.8 33.0 1.0 O A:HOH748 4.9 37.0 1.0 O2 A:CFA602 4.9 0.6 0.8 N A:ALA217 4.9 32.5 1.0 CD2 A:PHE325 5.0 50.2 1.0

Chlorine binding site 2 out of 4 in the ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.3 occ:0.84 CL4 A:CFA602 0.0 0.3 0.8 C4' A:CFA602 1.8 0.4 0.8 C3' A:CFA602 2.7 0.7 0.8 C5' A:CFA602 2.7 0.9 0.8 CG A:PRO218 3.3 38.2 1.0 CD A:PRO218 3.5 25.5 1.0 CD1 A:TYR145 3.5 35.2 1.0 N A:PRO218 3.6 30.8 1.0 CG1 A:VAL163 3.8 35.9 1.0 CG2 A:VAL163 3.9 36.1 1.0 CG A:TYR145 3.9 36.0 1.0 CB A:TYR145 4.0 29.4 1.0 C2' A:CFA602 4.0 0.9 0.8 C6' A:CFA602 4.0 0.7 0.8 CA A:PRO218 4.1 26.9 1.0 C A:ALA217 4.1 27.3 1.0 CB A:PRO218 4.2 28.6 1.0 CG2 A:ILE143 4.2 34.9 1.0 CE1 A:TYR145 4.2 41.1 1.0 CB A:VAL163 4.4 37.4 1.0 CA A:ALA217 4.5 32.0 1.0 C1' A:CFA602 4.5 1.0 0.8 O A:PHE144 4.7 30.9 1.0 O A:ALA217 4.8 34.4 1.0 CD2 A:TYR145 4.9 34.6 1.0

Chlorine binding site 3 out of 4 in the ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:0.7 occ:1.00 CL3 A:CFA603 0.0 0.7 1.0 C2' A:CFA603 1.8 0.4 1.0 C3' A:CFA603 2.8 0.4 1.0 C1' A:CFA603 2.8 0.7 1.0 O1' A:CFA603 3.1 1.0 1.0 C2 A:CFA603 3.3 0.3 1.0 CG2 A:VAL163 3.5 36.1 1.0 CA A:VAL163 3.8 36.2 1.0 C4' A:CFA603 4.1 0.5 1.0 C6' A:CFA603 4.1 0.3 1.0 CB A:VAL163 4.1 37.4 1.0 CB A:PHE166 4.1 49.3 1.0 CG A:PHE166 4.2 52.9 1.0 CD2 A:PHE166 4.2 55.1 1.0 CG1 A:VAL163 4.4 35.9 1.0 N A:VAL163 4.4 36.0 1.0 C1 A:CFA603 4.5 0.7 1.0 C5' A:CFA603 4.6 0.2 1.0 O A:MET162 4.8 36.2 1.0 CD1 A:PHE166 4.8 63.0 1.0 C A:MET162 4.9 37.1 1.0 C A:VAL163 4.9 33.5 1.0 O A:VAL163 4.9 32.9 1.0 C5' A:CFA602 4.9 0.9 0.8 CE2 A:PHE166 4.9 53.9 1.0 CG A:MET162 4.9 52.1 1.0 C4' A:CFA602 5.0 0.4 0.8

Chlorine binding site 4 out of 4 in the ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of ATGH3.15 Acyl Acid Amido Synthetase in Complex with 2,4-Db within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:0.8 occ:1.00 CL4 A:CFA603 0.0 0.8 1.0 C4' A:CFA603 1.8 0.5 1.0 C5' A:CFA603 2.7 0.2 1.0 C3' A:CFA603 2.8 0.4 1.0 C2 A:CFA602 3.2 0.6 0.8 O1 A:CFA602 3.4 0.4 0.8 C6' A:CFA602 3.6 0.7 0.8 C1 A:CFA602 3.7 0.9 0.8 C6' A:CFA603 4.0 0.3 1.0 C2' A:CFA603 4.1 0.4 1.0 CD1 A:ILE143 4.1 45.3 1.0 O1' A:CFA602 4.2 0.3 0.8 CE2 A:PHE166 4.2 53.9 1.0 NH2 A:ARG214 4.3 79.2 1.0 C1' A:CFA602 4.3 1.0 0.8 C5' A:CFA602 4.5 0.9 0.8 C1' A:CFA603 4.6 0.7 1.0 CD2 A:PHE166 4.8 55.1 1.0 CD2 A:LEU181 4.9 67.9 1.0 O A:HOH847 4.9 62.1 1.0 O2 A:CFA602 4.9 0.6 0.8

A.M.Sherp, S.G.Lee, E.Schraft, J.M.Jez. Modification of Auxinic Phenoxyalkanoic Acid Herbicides By the Acyl Acid Amido Synthetase GH3.15 From Arabidopsis. J. Biol. Chem. V. 293 17731 2018.
ISSN: ESSN 1083-351X
PubMed: 30315112
DOI: 10.1074/JBC.RA118.004975