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Chlorine in PDB 6d3m: FT_T Dioxygenase with Bound Quizalofop

Enzymatic activity of FT_T Dioxygenase with Bound Quizalofop

All present enzymatic activity of FT_T Dioxygenase with Bound Quizalofop:
1.14.11.44;

Protein crystallography data

The structure of FT_T Dioxygenase with Bound Quizalofop, PDB code: 6d3m 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) 45.10 / 2.03
Space group P 64
Cell size a, b, c (Å), α, β, γ (°) 137.778, 137.778, 148.346, 90.00, 90.00, 120.00
R / Rfree (%) 17.7 / 21.7

Other elements in 6d3m:

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

Cobalt (Co) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the FT_T Dioxygenase with Bound Quizalofop (pdb code 6d3m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the FT_T Dioxygenase with Bound Quizalofop, PDB code: 6d3m:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6d3m

Go back to Chlorine Binding Sites List in 6d3m
Chlorine binding site 1 out of 6 in the FT_T Dioxygenase with Bound Quizalofop


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 Quizalofop within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:87.0
occ:1.00
 CL1 A:FTJ302 0.0 87.0 1.0
C3 A:FTJ302 1.8 74.2 1.0
C4 A:FTJ302 2.8 72.1 1.0
C2 A:FTJ302 2.8 71.2 1.0
C5 A:FTJ302 4.1 67.9 1.0
C1 A:FTJ302 4.1 64.8 1.0
CD A:LYS169 4.1 57.3 1.0
CB A:LYS169 4.3 41.3 1.0
NE1 A:TRP180 4.5 81.1 1.0
NH1 A:ARG104 4.6 73.1 1.0
C6 A:FTJ302 4.6 64.5 1.0
CZ2 A:TRP180 4.7 81.8 1.0
CG A:LYS169 4.8 48.7 1.0
O A:LYS169 4.8 42.2 1.0
CE2 A:TRP180 4.9 80.7 1.0

Chlorine binding site 2 out of 6 in 6d3m

Go back to Chlorine Binding Sites List in 6d3m
Chlorine binding site 2 out of 6 in the FT_T Dioxygenase with Bound Quizalofop


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 Quizalofop within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:35.1
occ:1.00
 N A:VAL77 3.2 34.8 1.0
NE A:ARG72 3.3 34.0 1.0
O A:HOH494 3.6 52.5 1.0
CA A:PRO76 3.6 36.1 1.0
CD A:ARG72 3.6 32.8 1.0
C A:PRO76 3.8 36.3 1.0
CG2 A:VAL77 3.8 40.3 1.0
O A:VAL77 3.9 37.2 1.0
CB A:PRO76 4.0 36.1 1.0
CA A:VAL77 4.3 35.6 1.0
CZ A:ARG72 4.3 37.4 1.0
C A:VAL77 4.5 37.5 1.0
CB A:VAL77 4.6 36.0 1.0
NH2 A:ARG72 4.7 34.2 1.0
CG A:ARG72 4.8 32.8 1.0
N A:PRO76 4.9 36.7 1.0

Chlorine binding site 3 out of 6 in 6d3m

Go back to Chlorine Binding Sites List in 6d3m
Chlorine binding site 3 out of 6 in the FT_T Dioxygenase with Bound Quizalofop


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 Quizalofop within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:93.9
occ:1.00
 CL1 B:FTJ302 0.0 93.9 1.0
C3 B:FTJ302 1.8 86.3 1.0
C2 B:FTJ302 2.7 84.3 1.0
C4 B:FTJ302 2.8 84.6 1.0
C5 B:FTJ302 4.0 81.6 1.0
O B:HOH530 4.0 50.8 1.0
C1 B:FTJ302 4.1 80.2 1.0
CD B:LYS169 4.4 58.3 1.0
CB B:LYS169 4.5 43.4 1.0
C6 B:FTJ302 4.6 78.9 1.0
NH1 B:ARG104 4.6 73.8 1.0
CZ2 B:TRP180 4.6 82.2 1.0
NE1 B:TRP180 4.7 82.7 1.0
CG B:LYS169 4.8 49.2 1.0

Chlorine binding site 4 out of 6 in 6d3m

Go back to Chlorine Binding Sites List in 6d3m
Chlorine binding site 4 out of 6 in the FT_T Dioxygenase with Bound Quizalofop


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 Quizalofop within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl302

b:84.8
occ:1.00
 CL1 F:FTJ302 0.0 84.8 1.0
C3 F:FTJ302 1.8 72.4 1.0
C2 F:FTJ302 2.7 68.8 1.0
C4 F:FTJ302 2.8 69.6 1.0
O F:HOH570 3.8 60.1 1.0
C1 F:FTJ302 4.1 61.3 1.0
C5 F:FTJ302 4.1 65.3 1.0
NE1 F:TRP180 4.3 80.8 1.0
CB F:LYS169 4.4 42.0 1.0
CG F:LYS169 4.5 47.3 1.0
NH1 F:ARG104 4.5 73.4 1.0
CD F:LYS169 4.5 56.3 1.0
C6 F:FTJ302 4.6 60.6 1.0
CZ2 F:TRP180 4.6 81.3 1.0
CE2 F:TRP180 4.8 80.5 1.0
O F:LYS169 4.9 41.8 1.0

Chlorine binding site 5 out of 6 in 6d3m

Go back to Chlorine Binding Sites List in 6d3m
Chlorine binding site 5 out of 6 in the FT_T Dioxygenase with Bound Quizalofop


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 Quizalofop within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl304

b:34.2
occ:1.00
 N F:VAL77 3.2 34.8 1.0
NE F:ARG72 3.3 33.3 1.0
CA F:PRO76 3.6 36.1 1.0
CD F:ARG72 3.6 31.9 1.0
O F:HOH512 3.8 51.7 1.0
C F:PRO76 3.9 36.2 1.0
O F:VAL77 3.9 38.4 1.0
CB F:PRO76 4.0 36.0 1.0
CG2 F:VAL77 4.1 40.0 1.0
CZ F:ARG72 4.3 36.3 1.0
CA F:VAL77 4.3 36.1 1.0
NH2 F:ARG72 4.6 33.6 1.0
C F:VAL77 4.6 38.0 1.0
CB F:VAL77 4.7 36.7 1.0
CG F:ARG72 4.8 33.0 1.0
N F:PRO76 4.9 36.5 1.0

Chlorine binding site 6 out of 6 in 6d3m

Go back to Chlorine Binding Sites List in 6d3m
Chlorine binding site 6 out of 6 in the FT_T Dioxygenase with Bound Quizalofop


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 Quizalofop within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl302

b:90.9
occ:1.00
 CL1 J:FTJ302 0.0 90.9 1.0
C3 J:FTJ302 1.8 82.2 1.0
C4 J:FTJ302 2.7 79.9 1.0
C2 J:FTJ302 2.8 79.7 1.0
C5 J:FTJ302 4.0 77.2 1.0
C1 J:FTJ302 4.1 75.3 1.0
CD J:LYS169 4.2 58.7 1.0
CB J:LYS169 4.2 44.1 1.0
CZ2 J:TRP180 4.4 82.0 1.0
NE1 J:TRP180 4.5 82.6 1.0
C6 J:FTJ302 4.6 74.6 1.0
CG J:LYS169 4.7 49.9 1.0
NH1 J:ARG104 4.7 73.5 1.0
O J:LYS169 4.8 43.6 1.0
CE2 J:TRP180 4.9 81.3 1.0

Reference:

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
Page generated: Sat Jul 27 21:21:53 2024

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