Chlorine in PDB 6d3h: FT_T Dioxygenase with Bound Dichlorprop

The structure of FT_T Dioxygenase with Bound Dichlorprop, PDB code: 6d3h was solved by T.J.Rydel, C.E.Halls, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.60 / 2.03
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	138.161, 138.161, 148.518, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 21.1

The structure of FT_T Dioxygenase with Bound Dichlorprop also contains other interesting chemical elements:

Cobalt

(Co)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the FT_T Dioxygenase with Bound Dichlorprop (pdb code 6d3h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the FT_T Dioxygenase with Bound Dichlorprop, PDB code: 6d3h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:40.6 occ:1.00 CL1 A:FTV301 0.0 40.6 1.0 C4 A:FTV301 1.8 33.1 1.0 C2 A:FTV301 2.7 29.9 1.0 C7 A:FTV301 2.7 31.7 1.0 O1 A:FTV301 2.8 26.0 1.0 CG2 A:ILE82 3.8 23.1 1.0 CD1 A:ILE82 3.8 35.1 1.0 CG1 A:VAL170 3.8 25.4 1.0 C9 A:FTV301 4.0 29.6 1.0 C5 A:FTV301 4.1 27.6 1.0 CG2 A:ILE106 4.1 25.9 1.0 O A:HOH482 4.2 27.6 1.0 C1 A:FTV301 4.2 26.2 1.0 CZ A:PHE182 4.2 36.9 1.0 CE2 A:PHE182 4.3 36.5 1.0 CG1 A:ILE82 4.4 28.4 1.0 C3 A:FTV301 4.5 27.1 1.0 C8 A:FTV301 4.5 27.4 1.0 CE1 A:PHE182 4.6 34.1 1.0 CB A:ILE82 4.6 25.4 1.0 CD2 A:PHE182 4.8 35.3 1.0 CG2 A:VAL187 4.8 26.7 1.0 OH A:TYR221 5.0 22.3 1.0

Chlorine binding site 2 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:32.2 occ:1.00 CL2 A:FTV301 0.0 32.2 1.0 C9 A:FTV301 1.8 29.6 1.0 C7 A:FTV301 2.7 31.7 1.0 C8 A:FTV301 2.8 27.4 1.0 NH2 A:ARG104 3.7 55.5 1.0 CA A:GLY107 3.8 22.6 1.0 CG2 A:VAL220 3.8 18.7 1.0 N A:GLY107 3.8 22.0 1.0 C4 A:FTV301 3.9 33.1 1.0 CG1 A:VAL220 4.0 24.1 1.0 C5 A:FTV301 4.1 27.6 1.0 N A:ASP108 4.2 25.7 1.0 C A:GLY107 4.2 25.1 1.0 OD1 A:ASP108 4.3 40.3 1.0 CZ A:ARG104 4.4 52.0 1.0 C2 A:FTV301 4.5 29.9 1.0 N A:ASP109 4.5 27.3 1.0 CB A:VAL220 4.6 21.1 1.0 O A:HOH611 4.6 48.5 1.0 CZ A:PHE182 4.6 36.9 1.0 CB A:ASP109 4.9 26.8 1.0 OD2 A:ASP109 5.0 38.6 1.0 ND1 A:HIS111 5.0 17.6 1.0 NE A:ARG104 5.0 49.7 1.0

Chlorine binding site 3 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:25.5 occ:1.00 OG1 A:THR63 3.3 20.0 1.0 O A:HOH474 3.4 38.4 1.0 CG A:GLU65 3.9 28.8 1.0 NE2 A:GLN66 4.0 26.3 1.0 CG A:GLN66 4.0 22.1 1.0 CB A:THR63 4.1 22.9 1.0 CG2 A:THR63 4.2 22.1 1.0 CD A:GLN66 4.2 24.2 1.0 CB A:GLU65 4.3 22.7 1.0 OE2 A:GLU65 4.3 24.8 1.0 N A:GLN66 4.5 18.4 1.0 CD A:GLU65 4.6 32.0 1.0 C A:GLU65 5.0 20.2 1.0

Chlorine binding site 4 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:40.3 occ:1.00 CL1 B:FTV301 0.0 40.3 1.0 C4 B:FTV301 1.8 32.4 1.0 C2 B:FTV301 2.7 27.2 1.0 C7 B:FTV301 2.7 28.9 1.0 O1 B:FTV301 2.9 25.3 1.0 CD1 B:ILE82 3.5 36.6 1.0 CG1 B:VAL170 3.9 25.0 1.0 CG2 B:ILE82 3.9 21.9 1.0 C9 B:FTV301 4.0 29.6 1.0 C5 B:FTV301 4.0 26.7 1.0 CZ B:PHE182 4.1 37.6 1.0 CG2 B:ILE106 4.2 23.1 1.0 CE2 B:PHE182 4.2 35.1 1.0 O B:HOH482 4.2 27.7 1.0 C1 B:FTV301 4.2 27.3 1.0 C8 B:FTV301 4.5 21.6 1.0 C3 B:FTV301 4.5 26.0 1.0 CG1 B:ILE82 4.6 29.1 1.0 CE1 B:PHE182 4.6 32.3 1.0 CD2 B:PHE182 4.7 35.2 1.0 CB B:ILE82 4.8 26.1 1.0 CG2 B:VAL187 4.8 21.1 1.0 OH B:TYR221 5.0 19.1 1.0

Chlorine binding site 5 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:29.7 occ:1.00 CL2 B:FTV301 0.0 29.7 1.0 C9 B:FTV301 1.8 29.6 1.0 C7 B:FTV301 2.7 28.9 1.0 C8 B:FTV301 2.8 21.6 1.0 O B:HOH476 3.0 46.7 1.0 CA B:GLY107 3.8 23.2 1.0 N B:GLY107 3.9 21.9 1.0 CG2 B:VAL220 3.9 21.0 1.0 C4 B:FTV301 4.0 32.4 1.0 CG1 B:VAL220 4.0 21.9 1.0 NH2 B:ARG104 4.0 56.7 1.0 C5 B:FTV301 4.1 26.7 1.0 N B:ASP108 4.2 24.9 1.0 C B:GLY107 4.2 23.8 1.0 OD1 B:ASP108 4.5 41.2 1.0 CZ B:ARG104 4.5 54.1 1.0 C2 B:FTV301 4.5 27.2 1.0 N B:ASP109 4.6 26.6 1.0 CB B:VAL220 4.6 20.8 1.0 CB B:ASP109 4.7 26.8 1.0 CZ B:PHE182 4.7 37.6 1.0 NH1 B:ARG104 4.8 51.2 1.0 ND1 B:HIS111 4.8 16.4 1.0

Chlorine binding site 6 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:24.4 occ:1.00 N B:VAL77 3.2 23.7 1.0 NE B:ARG72 3.3 20.7 1.0 CD B:ARG72 3.6 20.5 1.0 O B:HOH538 3.6 40.9 1.0 CA B:PRO76 3.7 26.1 1.0 O B:VAL77 3.8 26.2 1.0 CG2 B:VAL77 3.9 26.8 1.0 C B:PRO76 3.9 26.4 1.0 CB B:PRO76 4.1 27.0 1.0 CA B:VAL77 4.3 24.6 1.0 CZ B:ARG72 4.3 25.0 1.0 C B:VAL77 4.5 26.7 1.0 CB B:VAL77 4.6 24.3 1.0 NH2 B:ARG72 4.7 24.4 1.0 CG B:ARG72 4.9 21.2 1.0

Chlorine binding site 7 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl301 b:39.9 occ:1.00 CL1 I:FTV301 0.0 39.9 1.0 C4 I:FTV301 1.8 30.4 1.0 C2 I:FTV301 2.7 26.4 1.0 C7 I:FTV301 2.7 28.5 1.0 O1 I:FTV301 2.8 24.8 1.0 CD1 I:ILE82 3.6 36.2 1.0 CG2 I:ILE82 3.8 22.8 1.0 CG1 I:VAL170 3.9 24.5 1.0 C9 I:FTV301 4.0 29.2 1.0 CG2 I:ILE106 4.0 23.7 1.0 C5 I:FTV301 4.0 25.2 1.0 O I:HOH446 4.1 27.1 1.0 CE2 I:PHE182 4.2 35.1 1.0 CZ I:PHE182 4.2 37.6 1.0 C1 I:FTV301 4.2 26.0 1.0 C8 I:FTV301 4.5 22.2 1.0 C3 I:FTV301 4.5 23.5 1.0 CG1 I:ILE82 4.6 28.2 1.0 CE1 I:PHE182 4.7 32.3 1.0 CB I:ILE82 4.7 25.3 1.0 CD2 I:PHE182 4.7 34.6 1.0 CG2 I:VAL187 4.8 23.5 1.0 OH I:TYR221 4.9 19.7 1.0 CB I:ILE106 5.0 22.2 1.0

Chlorine binding site 8 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl301 b:30.3 occ:1.00 CL2 I:FTV301 0.0 30.3 1.0 C9 I:FTV301 1.8 29.2 1.0 C7 I:FTV301 2.7 28.5 1.0 C8 I:FTV301 2.8 22.2 1.0 O I:HOH459 3.0 41.5 1.0 NH2 I:ARG104 3.6 53.7 1.0 CA I:GLY107 3.8 22.2 1.0 N I:GLY107 3.9 21.0 1.0 CG2 I:VAL220 3.9 19.9 1.0 C4 I:FTV301 3.9 30.4 1.0 CG1 I:VAL220 4.0 21.9 1.0 C5 I:FTV301 4.0 25.2 1.0 N I:ASP108 4.2 24.5 1.0 C I:GLY107 4.3 23.8 1.0 CZ I:ARG104 4.4 51.2 1.0 C2 I:FTV301 4.5 26.4 1.0 OD1 I:ASP108 4.5 40.6 1.0 CB I:VAL220 4.6 20.1 1.0 N I:ASP109 4.6 26.0 1.0 CZ I:PHE182 4.7 37.6 1.0 CB I:ASP109 4.8 26.5 1.0 ND1 I:HIS111 4.9 14.9 1.0 NE I:ARG104 5.0 49.5 1.0

Chlorine binding site 9 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl304 b:25.9 occ:1.00 OG1 I:THR63 3.2 19.3 1.0 O I:HOH454 3.2 35.5 1.0 CB I:GLU65 3.9 20.5 1.0 CG I:GLN66 4.1 26.0 1.0 CB I:THR63 4.1 22.4 1.0 NE2 I:GLN66 4.1 25.9 1.0 OE2 I:GLU65 4.2 23.5 1.0 CG2 I:THR63 4.2 22.7 1.0 CD I:GLN66 4.3 25.6 1.0 N I:GLN66 4.5 19.8 1.0 CG I:GLU65 4.6 24.8 1.0 CD I:GLU65 4.6 29.2 1.0 CA I:GLU65 5.0 20.9 1.0 C I:GLU65 5.0 20.4 1.0

Chlorine binding site 10 out of 12 in the FT_T Dioxygenase with Bound Dichlorprop


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of FT_T Dioxygenase with Bound Dichlorprop within 5.0Å range: probe atom residue distance (Å) B Occ M:Cl301 b:40.4 occ:1.00 CL1 M:FTV301 0.0 40.4 1.0 C4 M:FTV301 1.8 33.5 1.0 C7 M:FTV301 2.7 30.7 1.0 C2 M:FTV301 2.7 29.5 1.0 O1 M:FTV301 2.9 27.6 1.0 CG1 M:VAL170 3.8 25.1 1.0 CG2 M:ILE82 3.9 22.0 1.0 C9 M:FTV301 4.0 29.8 1.0 C5 M:FTV301 4.1 30.4 1.0 O M:HOH525 4.1 25.7 1.0 CZ M:PHE182 4.1 35.9 1.0 CG2 M:ILE106 4.2 26.0 1.0 CD1 M:ILE82 4.2 35.2 1.0 C1 M:FTV301 4.3 27.4 1.0 CG1 M:ILE82 4.3 28.1 1.0 CE2 M:PHE182 4.3 36.2 1.0 CE1 M:PHE182 4.5 35.0 1.0 C8 M:FTV301 4.5 30.7 1.0 C3 M:FTV301 4.6 29.7 1.0 CB M:ILE82 4.7 25.8 1.0 CG2 M:VAL187 4.8 25.6 1.0 CD2 M:PHE182 4.8 35.3 1.0 CG1 M:ILE106 4.9 25.2 1.0

C.T.Larue, M.Goley, L.Shi, A.G.Evdokimov, O.C.Sparks, C.Ellis, A.M.Wollacott, T.J.Rydel, C.E.Halls, B.Van Scoyoc, X.Fu, J.R.Nageotte, A.M.Adio, M.Zheng, E.J.Sturman, G.S.Garvey, M.J.Varagona. Development of Enzymes For Robust Aryloxyphenoxypropionate and Synthetic Auxin Herbicide Tolerance Traits in Maize and Soybean Crops. Pest Manag. Sci. V. 75 2086 2019.
ISSN: ISSN 1526-4998
PubMed: 30828945
DOI: 10.1002/PS.5393