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Fluorine in PDB 2v97: Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature

Enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature

All present enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature:
3.1.1.7;

Protein crystallography data

The structure of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, PDB code: 2v97 was solved by J.-P.Colletier, B.Sanson, A.Royant, A.Specht, F.Nachon, P.Masson, G.Zaccai, J.L.Sussman, M.Goeldner, I.Silman, D.Bourgeois, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.81 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.200, 104.460, 148.050, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 27.2

Other elements in 2v97:

The structure of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature also contains other interesting chemical elements:

Arsenic (As) 8 atoms
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature (pdb code 2v97). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, PDB code: 2v97:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in 2v97

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Fluorine binding site 1 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1537

b:55.4
occ:0.80
 F1 A:CFQ1537 0.0 55.4 0.8
F1 A:CFQ1537 0.5 61.2 0.2
C14 A:CFQ1537 1.3 57.1 0.8
C14 A:CFQ1537 1.7 61.5 0.2
F2 A:CFQ1537 2.1 58.5 0.8
F3 A:CFQ1537 2.1 57.3 0.8
F2 A:CFQ1537 2.3 61.9 0.2
C6 A:CFQ1537 2.4 58.6 0.8
F3 A:CFQ1537 2.6 61.9 0.2
C6 A:CFQ1537 2.7 61.8 0.2
C7 A:CFQ1537 3.0 63.0 0.2
C7 A:CFQ1537 3.0 61.1 0.8
N A:GLY335 3.0 33.7 0.8
CB A:TYR334 3.2 32.3 0.2
CA A:GLY335 3.2 35.4 0.8
N A:GLY335 3.3 36.1 0.2
C12 A:CFQ1537 3.4 63.6 0.2
C A:TYR334 3.4 34.9 0.2
C A:TYR334 3.5 30.8 0.8
CB A:TYR334 3.5 25.6 0.8
O3 A:CFQ1537 3.6 64.9 0.8
O1 A:CFQ1537 3.6 56.9 0.8
CA A:GLY335 3.6 37.6 0.2
C8 A:CFQ1537 3.6 62.7 0.8
C8 A:CFQ1537 3.8 63.6 0.2
O A:TYR334 3.8 35.1 0.2
C12 A:CFQ1537 3.8 61.8 0.8
O1 A:CFQ1537 3.9 60.8 0.2
N2 A:CFQ1537 3.9 64.6 0.8
CA A:TYR334 3.9 33.6 0.2
O A:TYR334 4.0 30.2 0.8
O A:PHE331 4.1 33.9 0.2
O A:PHE331 4.1 35.6 0.8
CA A:TYR334 4.1 27.8 0.8
CG2 A:ILE287 4.2 35.0 0.8
C11 A:CFQ1537 4.4 64.2 0.2
O3 A:CFQ1537 4.4 63.3 0.2
CG A:TYR334 4.4 32.9 0.2
N2 A:CFQ1537 4.4 63.7 0.2
CG2 A:ILE287 4.5 36.1 0.2
CB A:ILE287 4.5 33.5 0.8
C A:GLY335 4.6 37.9 0.8
C9 A:CFQ1537 4.7 64.2 0.2
C5 A:CFQ1537 4.7 55.4 0.8
N A:TYR334 4.7 32.9 0.2
C9 A:CFQ1537 4.8 63.4 0.8
CG A:TYR334 4.8 26.9 0.8
CA A:ILE287 4.8 34.5 0.8
O A:SER286 4.9 43.7 0.8
C11 A:CFQ1537 4.9 63.1 0.8
O2 A:CFQ1537 4.9 66.8 0.8
C10 A:CFQ1537 4.9 64.3 0.2
N A:TYR334 5.0 29.3 0.8
CB A:ILE287 5.0 36.5 0.2

Fluorine binding site 2 out of 24 in 2v97

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Fluorine binding site 2 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1537

b:61.2
occ:0.20
 F1 A:CFQ1537 0.0 61.2 0.2
F1 A:CFQ1537 0.5 55.4 0.8
C14 A:CFQ1537 1.1 57.1 0.8
C14 A:CFQ1537 1.3 61.5 0.2
F3 A:CFQ1537 1.7 57.3 0.8
F2 A:CFQ1537 2.1 58.5 0.8
F2 A:CFQ1537 2.1 61.9 0.2
F3 A:CFQ1537 2.1 61.9 0.2
C6 A:CFQ1537 2.3 58.6 0.8
C6 A:CFQ1537 2.4 61.8 0.2
C7 A:CFQ1537 2.9 63.0 0.2
CA A:GLY335 3.1 35.4 0.8
C7 A:CFQ1537 3.2 61.1 0.8
N A:GLY335 3.2 33.7 0.8
N A:GLY335 3.3 36.1 0.2
CA A:GLY335 3.4 37.6 0.2
O1 A:CFQ1537 3.4 56.9 0.8
C12 A:CFQ1537 3.5 63.6 0.2
C A:TYR334 3.5 34.9 0.2
O3 A:CFQ1537 3.5 64.9 0.8
CB A:TYR334 3.6 32.3 0.2
O1 A:CFQ1537 3.6 60.8 0.2
C A:TYR334 3.7 30.8 0.8
C8 A:CFQ1537 3.8 63.6 0.2
O A:TYR334 3.8 35.1 0.2
C8 A:CFQ1537 3.8 62.7 0.8
CG2 A:ILE287 3.9 35.0 0.8
CB A:TYR334 4.0 25.6 0.8
N2 A:CFQ1537 4.0 64.6 0.8
C12 A:CFQ1537 4.0 61.8 0.8
O3 A:CFQ1537 4.1 63.3 0.2
O A:TYR334 4.2 30.2 0.8
CA A:TYR334 4.2 33.6 0.2
CG2 A:ILE287 4.2 36.1 0.2
O A:PHE331 4.3 35.6 0.8
O A:PHE331 4.3 33.9 0.2
N2 A:CFQ1537 4.3 63.7 0.2
CB A:ILE287 4.3 33.5 0.8
C5 A:CFQ1537 4.4 55.4 0.8
O A:SER286 4.4 43.7 0.8
C A:GLY335 4.4 37.9 0.8
CA A:TYR334 4.5 27.8 0.8
CA A:ILE287 4.6 34.5 0.8
C11 A:CFQ1537 4.6 64.2 0.2
C5 A:CFQ1537 4.7 59.1 0.2
CB A:ILE287 4.8 36.5 0.2
C9 A:CFQ1537 4.8 64.2 0.2
CG A:TYR334 4.9 32.9 0.2
O A:SER286 4.9 42.7 0.2
O A:HOH2527 4.9 63.2 0.8
O A:HOH2528 4.9 61.8 0.2
O A:GLY335 4.9 38.5 0.8
C A:GLY335 4.9 39.1 0.2
CA A:ILE287 4.9 37.1 0.2
O A:HOH2580 5.0 50.4 0.2
O A:HOH2581 5.0 50.0 0.8

Fluorine binding site 3 out of 24 in 2v97

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Fluorine binding site 3 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1537

b:58.5
occ:0.80
 F2 A:CFQ1537 0.0 58.5 0.8
F2 A:CFQ1537 0.7 61.9 0.2
C14 A:CFQ1537 1.3 57.1 0.8
C14 A:CFQ1537 1.7 61.5 0.2
F1 A:CFQ1537 2.1 55.4 0.8
F1 A:CFQ1537 2.1 61.2 0.2
F3 A:CFQ1537 2.1 57.3 0.8
C6 A:CFQ1537 2.4 58.6 0.8
C6 A:CFQ1537 2.6 61.8 0.2
F3 A:CFQ1537 2.7 61.9 0.2
C12 A:CFQ1537 2.9 63.6 0.2
O1 A:CFQ1537 2.9 56.9 0.8
O1 A:CFQ1537 3.0 60.8 0.2
C7 A:CFQ1537 3.0 61.1 0.8
C7 A:CFQ1537 3.1 63.0 0.2
C12 A:CFQ1537 3.1 61.8 0.8
C1 A:CFQ1537 3.4 53.6 0.8
CB A:TYR334 3.4 32.3 0.2
O A:TYR334 3.5 35.1 0.2
O A:TYR334 3.6 30.2 0.8
C A:TYR334 3.7 30.8 0.8
C A:TYR334 3.7 34.9 0.2
CA A:GLY335 3.9 35.4 0.8
N A:GLY335 3.9 33.7 0.8
CB A:TYR334 3.9 25.6 0.8
C11 A:CFQ1537 4.1 64.2 0.2
N A:GLY335 4.2 36.1 0.2
CA A:TYR334 4.2 33.6 0.2
C5 A:CFQ1537 4.3 55.4 0.8
C8 A:CFQ1537 4.3 62.7 0.8
C1 A:CFQ1537 4.3 56.7 0.2
C11 A:CFQ1537 4.3 63.1 0.8
C5 A:CFQ1537 4.4 59.1 0.2
C8 A:CFQ1537 4.4 63.6 0.2
CA A:TYR334 4.4 27.8 0.8
CA A:GLY335 4.5 37.6 0.2
CG A:TYR334 4.5 32.9 0.2
AS A:CFQ1537 4.6 50.0 0.8
CD2 A:TYR334 4.7 32.8 0.2
CD2 A:TYR334 4.8 24.4 0.8
C2 A:CFQ1537 4.8 51.8 0.8
CG A:TYR334 4.9 26.9 0.8
C2 A:CFQ1537 4.9 56.1 0.2
O3 A:CFQ1537 4.9 64.9 0.8
OE1 A:GLN74 4.9 40.2 0.2

Fluorine binding site 4 out of 24 in 2v97

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Fluorine binding site 4 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1537

b:61.9
occ:0.20
 F2 A:CFQ1537 0.0 61.9 0.2
F2 A:CFQ1537 0.7 58.5 0.8
C14 A:CFQ1537 1.3 57.1 0.8
C14 A:CFQ1537 1.3 61.5 0.2
F3 A:CFQ1537 1.6 57.3 0.8
F1 A:CFQ1537 2.1 61.2 0.2
F3 A:CFQ1537 2.1 61.9 0.2
F1 A:CFQ1537 2.3 55.4 0.8
C6 A:CFQ1537 2.4 61.8 0.2
C6 A:CFQ1537 2.4 58.6 0.8
O1 A:CFQ1537 2.7 60.8 0.2
O1 A:CFQ1537 2.8 56.9 0.8
C1 A:CFQ1537 3.0 53.6 0.8
C7 A:CFQ1537 3.2 63.0 0.2
C12 A:CFQ1537 3.3 63.6 0.2
C7 A:CFQ1537 3.4 61.1 0.8
O A:TYR334 3.4 35.1 0.2
C12 A:CFQ1537 3.6 61.8 0.8
CA A:GLY335 3.7 35.4 0.8
O A:TYR334 3.8 30.2 0.8
C A:TYR334 3.8 34.9 0.2
C A:TYR334 3.9 30.8 0.8
C1 A:CFQ1537 3.9 56.7 0.2
CB A:TYR334 3.9 32.3 0.2
N A:GLY335 4.0 33.7 0.8
C5 A:CFQ1537 4.0 59.1 0.2
C5 A:CFQ1537 4.0 55.4 0.8
N A:GLY335 4.2 36.1 0.2
CA A:GLY335 4.2 37.6 0.2
AS A:CFQ1537 4.3 50.0 0.8
CB A:TYR334 4.5 25.6 0.8
O A:HOH2527 4.5 63.2 0.8
O A:HOH2528 4.5 61.8 0.2
CA A:TYR334 4.5 33.6 0.2
C11 A:CFQ1537 4.6 64.2 0.2
C8 A:CFQ1537 4.6 63.6 0.2
C4 A:CFQ1537 4.7 54.3 0.8
C8 A:CFQ1537 4.7 62.7 0.8
CA A:TYR334 4.9 27.8 0.8
AS A:CFQ1537 4.9 56.0 0.2
O A:HOH2580 4.9 50.4 0.2
O A:HOH2581 4.9 50.0 0.8
C2 A:CFQ1537 4.9 51.8 0.8
C11 A:CFQ1537 4.9 63.1 0.8
C2 A:CFQ1537 5.0 56.1 0.2

Fluorine binding site 5 out of 24 in 2v97

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Fluorine binding site 5 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1537

b:57.3
occ:0.80
 F3 A:CFQ1537 0.0 57.3 0.8
F3 A:CFQ1537 0.7 61.9 0.2
C14 A:CFQ1537 0.7 61.5 0.2
C14 A:CFQ1537 1.3 57.1 0.8
F2 A:CFQ1537 1.6 61.9 0.2
F1 A:CFQ1537 1.7 61.2 0.2
C6 A:CFQ1537 1.9 61.8 0.2
F1 A:CFQ1537 2.1 55.4 0.8
F2 A:CFQ1537 2.1 58.5 0.8
C6 A:CFQ1537 2.4 58.6 0.8
O1 A:CFQ1537 2.6 60.8 0.2
O1 A:CFQ1537 2.8 56.9 0.8
C7 A:CFQ1537 3.2 63.0 0.2
O A:HOH2527 3.3 63.2 0.8
O A:HOH2528 3.4 61.8 0.2
CA A:GLY335 3.4 35.4 0.8
CA A:GLY335 3.5 37.6 0.2
C5 A:CFQ1537 3.6 59.1 0.2
C5 A:CFQ1537 3.7 55.4 0.8
O A:HOH2581 3.7 50.0 0.8
O A:HOH2580 3.7 50.4 0.2
O A:SER286 3.8 43.7 0.8
C7 A:CFQ1537 3.8 61.1 0.8
C1 A:CFQ1537 3.8 53.6 0.8
O A:TYR334 3.9 35.1 0.2
C12 A:CFQ1537 3.9 63.6 0.2
N A:GLY335 4.0 36.1 0.2
N A:GLY335 4.0 33.7 0.8
C A:TYR334 4.1 34.9 0.2
O3 A:CFQ1537 4.2 63.3 0.2
O A:SER286 4.2 42.7 0.2
CG2 A:ILE287 4.2 35.0 0.8
C8 A:CFQ1537 4.3 63.6 0.2
O3 A:CFQ1537 4.3 64.9 0.8
C4 A:CFQ1537 4.4 54.3 0.8
CG2 A:ILE287 4.4 36.1 0.2
C A:GLY335 4.4 37.9 0.8
C A:TYR334 4.5 30.8 0.8
C12 A:CFQ1537 4.5 61.8 0.8
O A:GLY335 4.5 38.5 0.8
O A:TYR334 4.5 30.2 0.8
C1 A:CFQ1537 4.6 56.7 0.2
N2 A:CFQ1537 4.7 63.7 0.2
CB A:TYR334 4.7 32.3 0.2
C8 A:CFQ1537 4.8 62.7 0.8
AS A:CFQ1537 4.8 50.0 0.8
C A:GLY335 4.8 39.1 0.2
C A:SER286 4.9 41.0 0.8
C4 A:CFQ1537 4.9 57.6 0.2
CA A:ILE287 5.0 34.5 0.8
CB A:ILE287 5.0 33.5 0.8
N2 A:CFQ1537 5.0 64.6 0.8

Fluorine binding site 6 out of 24 in 2v97

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Fluorine binding site 6 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1537

b:61.9
occ:0.20
 F3 A:CFQ1537 0.0 61.9 0.2
F3 A:CFQ1537 0.7 57.3 0.8
C14 A:CFQ1537 1.3 61.5 0.2
C14 A:CFQ1537 2.0 57.1 0.8
F2 A:CFQ1537 2.1 61.9 0.2
F1 A:CFQ1537 2.1 61.2 0.2
C6 A:CFQ1537 2.4 61.8 0.2
F1 A:CFQ1537 2.6 55.4 0.8
F2 A:CFQ1537 2.7 58.5 0.8
O A:HOH2527 2.9 63.2 0.8
O A:HOH2528 2.9 61.8 0.2
C6 A:CFQ1537 2.9 58.6 0.8
O1 A:CFQ1537 3.0 60.8 0.2
O A:HOH2581 3.1 50.0 0.8
O A:HOH2580 3.1 50.4 0.2
CA A:GLY335 3.3 35.4 0.8
O1 A:CFQ1537 3.3 56.9 0.8
CA A:GLY335 3.3 37.6 0.2
O A:SER286 3.5 43.7 0.8
C5 A:CFQ1537 3.7 59.1 0.2
C7 A:CFQ1537 3.8 63.0 0.2
O A:SER286 3.9 42.7 0.2
C5 A:CFQ1537 3.9 55.4 0.8
N A:GLY335 3.9 36.1 0.2
CG2 A:ILE287 4.0 35.0 0.8
O A:TYR334 4.0 35.1 0.2
C1 A:CFQ1537 4.0 53.6 0.8
O A:GLY335 4.1 38.5 0.8
N A:GLY335 4.1 33.7 0.8
CG2 A:ILE287 4.2 36.1 0.2
C A:GLY335 4.2 37.9 0.8
C A:TYR334 4.2 34.9 0.2
O3 A:CFQ1537 4.4 63.3 0.2
C7 A:CFQ1537 4.4 61.1 0.8
C A:GLY335 4.5 39.1 0.2
C A:SER286 4.5 41.0 0.8
C12 A:CFQ1537 4.5 63.6 0.2
C4 A:CFQ1537 4.6 54.3 0.8
O A:GLY335 4.6 39.1 0.2
O3 A:CFQ1537 4.7 64.9 0.8
C A:TYR334 4.7 30.8 0.8
O A:TYR334 4.7 30.2 0.8
C8 A:CFQ1537 4.8 63.6 0.2
C1 A:CFQ1537 4.8 56.7 0.2
CB A:ILE287 4.9 33.5 0.8
CA A:ILE287 4.9 34.5 0.8
C A:SER286 5.0 42.0 0.2
N2 A:CFQ1537 5.0 63.7 0.2

Fluorine binding site 7 out of 24 in 2v97

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Fluorine binding site 7 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1538

b:48.6
occ:0.80
 F1 A:CFQ1538 0.0 48.6 0.8
C14 A:CFQ1538 0.7 51.3 0.2
F1 A:CFQ1538 0.8 51.4 0.2
C14 A:CFQ1538 1.3 49.2 0.8
F2 A:CFQ1538 1.4 51.0 0.2
F3 A:CFQ1538 1.7 50.9 0.2
F2 A:CFQ1538 2.1 50.6 0.8
C6 A:CFQ1538 2.1 51.9 0.2
F3 A:CFQ1538 2.1 49.3 0.8
C6 A:CFQ1538 2.4 48.5 0.8
C7 A:CFQ1538 2.8 49.4 0.8
C7 A:CFQ1538 3.0 53.4 0.2
O1 A:CFQ1538 3.2 51.2 0.2
CE1 A:PHE290 3.4 28.8 0.8
CE2 A:TYR121 3.4 26.1 0.8
C9 A:CFQ1537 3.4 63.4 0.8
OH A:TYR121 3.4 30.4 0.2
C8 A:CFQ1538 3.5 50.7 0.8
C12 A:CFQ1538 3.5 46.8 0.8
O1 A:CFQ1538 3.6 49.2 0.8
OH A:TYR121 3.6 31.8 0.8
CE2 A:TYR121 3.7 29.2 0.2
CE1 A:PHE290 3.7 31.4 0.2
O3 A:CFQ1538 3.7 57.1 0.8
C12 A:CFQ1538 3.7 53.7 0.2
CZ A:PHE331 3.8 34.8 0.2
C8 A:CFQ1538 3.8 54.8 0.2
CZ A:PHE290 3.8 28.4 0.8
CE2 A:PHE331 3.9 34.8 0.2
N2 A:CFQ1538 3.9 54.1 0.8
O3 A:CFQ1538 3.9 56.9 0.2
O2 A:CFQ1537 3.9 66.8 0.8
C10 A:CFQ1537 4.0 64.3 0.2
CE2 A:PHE331 4.0 35.1 0.8
CZ A:PHE290 4.0 31.2 0.2
CZ A:TYR121 4.0 30.3 0.8
C10 A:CFQ1537 4.0 63.6 0.8
CZ A:TYR121 4.0 29.8 0.2
C9 A:CFQ1537 4.2 64.2 0.2
N2 A:CFQ1538 4.2 56.3 0.2
C5 A:CFQ1538 4.3 50.4 0.2
CZ A:PHE331 4.4 35.1 0.8
CD1 A:PHE290 4.5 29.4 0.8
C9 A:CFQ1538 4.5 50.4 0.8
CD2 A:TYR121 4.5 28.8 0.8
C11 A:CFQ1538 4.5 46.6 0.8
C8 A:CFQ1537 4.6 62.7 0.8
N2 A:CFQ1537 4.7 64.6 0.8
N A:GLY119 4.7 28.3 0.2
C A:GLY118 4.7 29.2 0.2
CA A:GLY119 4.7 28.2 0.2
O A:GLY118 4.8 29.4 0.2
CD1 A:PHE290 4.8 31.6 0.2
C A:GLY118 4.8 28.6 0.8
CE1 A:PHE331 4.8 35.0 0.2
C5 A:CFQ1538 4.8 48.5 0.8
N A:GLY119 4.9 26.0 0.8
CD2 A:TYR121 4.9 30.0 0.2
O2 A:CFQ1538 4.9 55.9 0.8
C11 A:CFQ1538 4.9 54.4 0.2
C10 A:CFQ1538 4.9 51.6 0.8
CD2 A:PHE331 5.0 34.7 0.8
CD2 A:PHE331 5.0 34.9 0.2
C9 A:CFQ1538 5.0 54.4 0.2
CA A:GLY118 5.0 26.9 0.8

Fluorine binding site 8 out of 24 in 2v97

Go back to Fluorine Binding Sites List in 2v97
Fluorine binding site 8 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1538

b:51.4
occ:0.20
 F1 A:CFQ1538 0.0 51.4 0.2
F1 A:CFQ1538 0.8 48.6 0.8
C14 A:CFQ1538 1.3 51.3 0.2
C14 A:CFQ1538 2.0 49.2 0.8
F2 A:CFQ1538 2.1 51.0 0.2
F3 A:CFQ1538 2.1 50.9 0.2
C6 A:CFQ1538 2.4 51.9 0.2
F3 A:CFQ1538 2.6 49.3 0.8
C6 A:CFQ1538 2.7 48.5 0.8
F2 A:CFQ1538 2.9 50.6 0.8
C7 A:CFQ1538 2.9 49.4 0.8
C9 A:CFQ1537 3.0 63.4 0.8
CE1 A:PHE290 3.0 28.8 0.8
C7 A:CFQ1538 3.1 53.4 0.2
O2 A:CFQ1537 3.1 66.8 0.8
CE2 A:PHE331 3.3 34.8 0.2
C12 A:CFQ1538 3.3 46.8 0.8
CE1 A:PHE290 3.3 31.4 0.2
CZ A:PHE331 3.4 34.8 0.2
CZ A:PHE290 3.5 28.4 0.8
CE2 A:PHE331 3.5 35.1 0.8
C10 A:CFQ1537 3.5 64.3 0.2
C12 A:CFQ1538 3.6 53.7 0.2
C8 A:CFQ1538 3.6 50.7 0.8
C9 A:CFQ1537 3.6 64.2 0.2
O1 A:CFQ1538 3.6 51.2 0.2
OH A:TYR121 3.7 30.4 0.2
CE2 A:TYR121 3.7 26.1 0.8
CZ A:PHE290 3.7 31.2 0.2
C10 A:CFQ1537 3.8 63.6 0.8
CE2 A:TYR121 3.9 29.2 0.2
N2 A:CFQ1537 3.9 64.6 0.8
OH A:TYR121 3.9 31.8 0.8
C8 A:CFQ1537 4.0 62.7 0.8
O1 A:CFQ1538 4.1 49.2 0.8
CZ A:PHE331 4.1 35.1 0.8
C8 A:CFQ1538 4.1 54.8 0.2
C11 A:CFQ1538 4.2 46.6 0.8
CD1 A:PHE290 4.2 29.4 0.8
N2 A:CFQ1538 4.2 54.1 0.8
O3 A:CFQ1538 4.2 57.1 0.8
CZ A:TYR121 4.3 29.8 0.2
CZ A:TYR121 4.3 30.3 0.8
CD2 A:PHE331 4.3 34.9 0.2
CD2 A:PHE331 4.4 34.7 0.8
C9 A:CFQ1538 4.4 50.4 0.8
CD1 A:PHE290 4.5 31.6 0.2
O3 A:CFQ1538 4.5 56.9 0.2
CE1 A:PHE331 4.5 35.0 0.2
C10 A:CFQ1538 4.6 51.6 0.8
C5 A:CFQ1538 4.7 50.4 0.2
CD2 A:TYR121 4.7 28.8 0.8
C11 A:CFQ1538 4.7 54.4 0.2
N2 A:CFQ1538 4.7 56.3 0.2
C11 A:CFQ1537 4.8 64.2 0.2
CE2 A:PHE290 4.8 30.7 0.8
C8 A:CFQ1537 4.9 63.6 0.2

Fluorine binding site 9 out of 24 in 2v97

Go back to Fluorine Binding Sites List in 2v97
Fluorine binding site 9 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1538

b:50.6
occ:0.80
 F2 A:CFQ1538 0.0 50.6 0.8
F2 A:CFQ1538 1.0 51.0 0.2
C14 A:CFQ1538 1.3 49.2 0.8
C14 A:CFQ1538 1.7 51.3 0.2
F3 A:CFQ1538 2.0 50.9 0.2
F1 A:CFQ1538 2.1 48.6 0.8
F3 A:CFQ1538 2.1 49.3 0.8
O3 A:CFQ1538 2.3 56.9 0.2
C6 A:CFQ1538 2.4 48.5 0.8
O1 A:CFQ1538 2.5 51.2 0.2
C6 A:CFQ1538 2.5 51.9 0.2
O1 A:CFQ1538 2.7 49.2 0.8
O3 A:CFQ1538 2.7 57.1 0.8
F1 A:CFQ1538 2.9 51.4 0.2
N2 A:CFQ1538 3.2 56.3 0.2
C7 A:CFQ1538 3.4 53.4 0.2
C7 A:CFQ1538 3.4 49.4 0.8
CA A:GLY118 3.4 26.9 0.8
N2 A:CFQ1538 3.5 54.1 0.8
C8 A:CFQ1538 3.6 54.8 0.2
C A:GLY118 3.6 29.2 0.2
OH A:TYR121 3.6 31.8 0.8
CE2 A:TYR121 3.7 26.1 0.8
CA A:GLY118 3.7 28.4 0.2
OH A:TYR121 3.7 30.4 0.2
C3 A:CFQ1538 3.7 48.2 0.2
C5 A:CFQ1538 3.8 50.4 0.2
C A:GLY118 3.8 28.6 0.8
C3 A:CFQ1538 3.8 45.2 0.8
C8 A:CFQ1538 3.8 50.7 0.8
C1 A:CFQ1538 3.8 45.7 0.8
O A:GLY118 3.9 29.4 0.2
O A:HOH2909 4.0 27.2 0.8
O A:HOH2910 4.0 27.5 0.2
N A:GLY119 4.1 28.3 0.2
CZ A:TYR121 4.1 30.3 0.8
CE2 A:TYR121 4.1 29.2 0.2
C5 A:CFQ1538 4.1 48.5 0.8
OG A:SER122 4.2 27.2 0.2
C1 A:CFQ1538 4.2 48.6 0.2
O2 A:CFQ1538 4.2 56.8 0.2
CZ A:TYR121 4.2 29.8 0.2
OG A:SER122 4.2 23.0 0.8
O A:GLY118 4.3 28.8 0.8
N A:GLY119 4.3 26.0 0.8
AS A:CFQ1538 4.3 48.4 0.2
AS A:CFQ1538 4.3 44.9 0.8
C4 A:CFQ1538 4.5 48.8 0.2
O2 A:CFQ1538 4.6 55.9 0.8
N A:GLY118 4.6 26.4 0.8
C12 A:CFQ1538 4.6 46.8 0.8
C12 A:CFQ1538 4.6 53.7 0.2
CA A:GLY119 4.7 28.2 0.2
CD2 A:TYR121 4.7 28.8 0.8
C4 A:CFQ1538 4.8 45.5 0.8
C9 A:CFQ1538 5.0 54.4 0.2
N A:GLY118 5.0 28.0 0.2

Fluorine binding site 10 out of 24 in 2v97

Go back to Fluorine Binding Sites List in 2v97
Fluorine binding site 10 out of 24 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1538

b:51.0
occ:0.20
 F2 A:CFQ1538 0.0 51.0 0.2
F2 A:CFQ1538 1.0 50.6 0.8
C14 A:CFQ1538 1.3 51.3 0.2
C14 A:CFQ1538 1.4 49.2 0.8
F1 A:CFQ1538 1.4 48.6 0.8
F1 A:CFQ1538 2.1 51.4 0.2
F3 A:CFQ1538 2.1 50.9 0.2
F3 A:CFQ1538 2.3 49.3 0.8
C6 A:CFQ1538 2.4 51.9 0.2
C6 A:CFQ1538 2.6 48.5 0.8
O3 A:CFQ1538 2.8 56.9 0.2
O3 A:CFQ1538 2.9 57.1 0.8
OH A:TYR121 2.9 30.4 0.2
O1 A:CFQ1538 2.9 51.2 0.2
CE2 A:TYR121 2.9 26.1 0.8
OH A:TYR121 2.9 31.8 0.8
C7 A:CFQ1538 3.1 53.4 0.2
O1 A:CFQ1538 3.3 49.2 0.8
N2 A:CFQ1538 3.3 56.3 0.2
C7 A:CFQ1538 3.3 49.4 0.8
CE2 A:TYR121 3.3 29.2 0.2
CZ A:TYR121 3.4 30.3 0.8
C8 A:CFQ1538 3.4 54.8 0.2
N2 A:CFQ1538 3.4 54.1 0.8
CZ A:TYR121 3.5 29.8 0.2
C8 A:CFQ1538 3.6 50.7 0.8
O A:GLY118 3.9 29.4 0.2
C A:GLY118 3.9 29.2 0.2
CA A:GLY118 4.0 26.9 0.8
C A:GLY118 4.0 28.6 0.8
CD2 A:TYR121 4.1 28.8 0.8
C12 A:CFQ1538 4.2 53.7 0.2
C9 A:CFQ1537 4.2 63.4 0.8
OG A:SER122 4.2 27.2 0.2
N A:GLY119 4.2 28.3 0.2
O A:GLY118 4.3 28.8 0.8
CA A:GLY118 4.3 28.4 0.2
O2 A:CFQ1538 4.3 56.8 0.2
OG A:SER122 4.3 23.0 0.8
C5 A:CFQ1538 4.3 50.4 0.2
CE1 A:PHE290 4.3 28.8 0.8
C10 A:CFQ1537 4.4 63.6 0.8
O2 A:CFQ1538 4.4 55.9 0.8
C12 A:CFQ1538 4.4 46.8 0.8
N A:GLY119 4.5 26.0 0.8
O A:HOH2909 4.5 27.2 0.8
O A:HOH2910 4.5 27.5 0.2
CD2 A:TYR121 4.5 30.0 0.2
CE1 A:PHE290 4.6 31.4 0.2
C10 A:CFQ1537 4.6 64.3 0.2
CA A:GLY119 4.6 28.2 0.2
C3 A:CFQ1538 4.6 48.2 0.2
C9 A:CFQ1538 4.7 54.4 0.2
C3 A:CFQ1538 4.7 45.2 0.8
CE1 A:TYR121 4.7 24.7 0.8
C5 A:CFQ1538 4.7 48.5 0.8
CE1 A:TYR121 4.7 28.9 0.2
C1 A:CFQ1538 4.8 45.7 0.8
C9 A:CFQ1538 4.8 50.4 0.8
CZ A:PHE290 4.8 28.4 0.8
CZ A:PHE290 4.9 31.2 0.2
CZ A:PHE331 5.0 34.8 0.2

Reference:

J.-P.Colletier, A.Royant, A.Specht, B.Sanson, F.Nachon, P.Masson, G.Zaccai, J.L.Sussman, M.Goeldner, I.Silman, D.Bourgeois, M.Weik. Use of A 'Caged' Analog to Study Traffic of Choline Within Acetylcholinesterase By Kinetic Crystallography Acta Crystallogr.,Sect.D V. 63 1115 2007.
ISSN: ISSN 0907-4449
PubMed: 18007027
DOI: 10.1107/S0907444907044472
Page generated: Sun Dec 13 11:40:16 2020

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