Atomistry » Fluorine » PDB 6qhw-6qy7 » 6qqp
Atomistry »
  Fluorine »
    PDB 6qhw-6qy7 »
      6qqp »

Fluorine in PDB 6qqp: Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)

Protein crystallography data

The structure of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2), PDB code: 6qqp was solved by R.V.Bueno, S.Davis, A.Dawson, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.82 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 209.530, 136.948, 131.552, 90.00, 102.74, 90.00
R / Rfree (%) 18.8 / 21

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) (pdb code 6qqp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2), PDB code: 6qqp:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 1 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:29.8
occ:1.00
 F A:JCW301 0.0 29.8 1.0
C10 A:JCW301 1.3 29.7 1.0
N2 A:JCW301 2.2 28.7 1.0
C6 A:JCW301 2.3 29.6 1.0
C2 A:JCW301 2.9 30.7 1.0
C3 A:JCW301 3.0 33.3 1.0
CG2 B:VAL125 3.2 20.9 1.0
C9 A:JCW301 3.4 28.7 1.0
C7 A:JCW301 3.6 28.9 1.0
O B:HOH441 3.7 19.7 1.0
CB B:VAL125 3.9 21.6 1.0
C8 A:JCW301 4.0 29.7 1.0
O B:MET133 4.0 24.4 1.0
N A:JCW301 4.1 31.6 1.0
CG1 A:VAL165 4.3 24.6 1.0
C4 A:JCW301 4.3 34.1 1.0
N B:VAL125 4.3 21.4 1.0
CB A:VAL165 4.3 24.9 1.0
CG B:MET133 4.6 33.9 1.0
C B:MET133 4.6 25.6 1.0
O A:VAL165 4.7 26.4 1.0
CA A:VAL165 4.7 23.7 1.0
O B:ILE123 4.7 26.0 1.0
CG1 B:ILE135 4.7 23.3 1.0
O A:JCW301 4.7 37.9 1.0
CB B:MET133 4.8 29.9 1.0
CA B:VAL125 4.8 21.1 1.0
CD1 B:ILE135 4.8 23.6 1.0
C B:ALA124 4.8 21.9 1.0

Fluorine binding site 2 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 2 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:29.1
occ:1.00
 F B:JCW301 0.0 29.1 1.0
C10 B:JCW301 1.3 30.4 1.0
N2 B:JCW301 2.2 28.5 1.0
C6 B:JCW301 2.4 29.9 1.0
C2 B:JCW301 2.9 30.7 1.0
C3 B:JCW301 3.0 33.4 1.0
CG2 C:VAL125 3.2 26.2 1.0
C9 B:JCW301 3.4 28.9 1.0
C7 B:JCW301 3.6 27.5 1.0
O C:HOH433 3.7 20.3 1.0
CB C:VAL125 4.0 25.3 1.0
C8 B:JCW301 4.0 28.0 1.0
O C:MET133 4.1 22.6 1.0
N B:JCW301 4.1 32.3 1.0
C4 B:JCW301 4.3 34.4 1.0
CG1 B:VAL165 4.3 26.1 1.0
CB B:VAL165 4.3 25.9 1.0
N C:VAL125 4.3 24.3 1.0
CG C:MET133 4.6 36.3 1.0
O B:VAL165 4.6 25.3 1.0
CA B:VAL165 4.7 23.5 1.0
C C:MET133 4.7 23.9 1.0
CG1 C:ILE135 4.8 19.9 1.0
O C:ILE123 4.8 22.6 1.0
CA C:VAL125 4.8 24.1 1.0
CD1 C:ILE135 4.8 20.8 1.0
CB C:MET133 4.8 31.7 1.0
O B:JCW301 4.8 35.8 1.0
C C:ALA124 4.9 23.1 1.0
CE C:MET133 4.9 41.0 1.0

Fluorine binding site 3 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 3 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:30.7
occ:1.00
 F C:JCW301 0.0 30.7 1.0
C10 C:JCW301 1.3 28.7 1.0
N2 C:JCW301 2.2 27.2 1.0
C6 C:JCW301 2.3 27.1 1.0
C2 C:JCW301 2.9 29.0 1.0
C3 C:JCW301 3.0 30.2 1.0
CG2 D:VAL125 3.2 21.7 1.0
C9 C:JCW301 3.4 26.5 1.0
C7 C:JCW301 3.5 25.6 1.0
O D:HOH429 3.7 22.7 1.0
CB D:VAL125 3.9 20.4 1.0
C8 C:JCW301 4.0 25.9 1.0
O D:MET133 4.0 24.8 1.0
N C:JCW301 4.1 31.1 1.0
C4 C:JCW301 4.3 31.4 1.0
CG1 C:VAL165 4.3 26.0 1.0
N D:VAL125 4.3 20.7 1.0
CB C:VAL165 4.3 25.5 1.0
CG D:MET133 4.6 34.6 1.0
O C:VAL165 4.6 27.0 1.0
CA C:VAL165 4.7 23.5 1.0
C D:MET133 4.7 24.4 1.0
O D:ILE123 4.7 22.6 1.0
CA D:VAL125 4.7 20.6 1.0
CB D:MET133 4.8 30.2 1.0
CG1 D:ILE135 4.8 21.4 1.0
C D:ALA124 4.8 21.5 1.0
O C:JCW301 4.8 31.6 1.0
CD1 D:ILE135 4.9 21.8 1.0
CA D:ALA124 5.0 21.5 1.0

Fluorine binding site 4 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 4 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F301

b:24.2
occ:1.00
 F D:JCW301 0.0 24.2 1.0
C10 D:JCW301 1.3 24.2 1.0
N2 D:JCW301 2.2 22.8 1.0
C6 D:JCW301 2.4 25.0 1.0
C2 D:JCW301 3.0 26.4 1.0
C3 D:JCW301 3.1 26.5 1.0
CG2 E:VAL125 3.3 23.0 1.0
C9 D:JCW301 3.4 23.7 1.0
C7 D:JCW301 3.6 23.7 1.0
O D:HOH448 3.7 20.6 1.0
O E:MET133 3.9 23.1 1.0
CB E:VAL125 4.0 23.3 1.0
C8 D:JCW301 4.0 24.5 1.0
CG1 D:VAL165 4.1 21.8 1.0
N E:VAL125 4.2 21.6 1.0
N D:JCW301 4.2 26.2 1.0
CB D:VAL165 4.2 21.5 1.0
C4 D:JCW301 4.4 26.4 1.0
O E:ILE123 4.5 23.7 1.0
C E:MET133 4.6 22.2 1.0
CG E:MET133 4.6 31.3 1.0
CA D:VAL165 4.7 20.6 1.0
C E:ALA124 4.7 21.3 1.0
CA E:VAL125 4.7 22.0 1.0
CG1 E:ILE135 4.8 19.1 1.0
O D:JCW301 4.8 29.5 1.0
O D:VAL165 4.8 24.4 1.0
CB E:MET133 4.8 27.6 1.0
CA E:ALA124 4.9 21.8 1.0
CD1 E:ILE135 4.9 19.8 1.0

Fluorine binding site 5 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 5 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F301

b:33.3
occ:1.00
 F E:JCW301 0.0 33.3 1.0
C10 E:JCW301 1.3 32.5 1.0
N2 E:JCW301 2.2 31.0 1.0
C6 E:JCW301 2.4 32.1 1.0
C2 E:JCW301 3.0 34.3 1.0
C3 E:JCW301 3.0 39.2 1.0
CG2 A:VAL125 3.2 27.1 1.0
C9 E:JCW301 3.4 29.9 1.0
C7 E:JCW301 3.6 30.6 1.0
O E:HOH429 3.6 28.6 1.0
CB A:VAL125 3.9 27.3 1.0
O A:MET133 4.0 27.6 1.0
C8 E:JCW301 4.0 30.7 1.0
N E:JCW301 4.2 37.8 1.0
N A:VAL125 4.2 25.1 1.0
CG1 E:VAL165 4.3 26.0 1.0
CB E:VAL165 4.3 26.5 1.0
C4 E:JCW301 4.3 43.9 1.0
CG A:MET133 4.6 43.1 1.0
C A:MET133 4.6 27.2 1.0
O A:ILE123 4.6 26.8 1.0
O E:VAL165 4.7 24.9 1.0
CA A:VAL125 4.7 25.6 1.0
CA E:VAL165 4.7 25.4 1.0
C A:ALA124 4.8 26.4 1.0
CB A:MET133 4.8 35.4 1.0
CG1 A:ILE135 4.8 22.6 1.0
CD1 A:ILE135 4.9 23.0 1.0
O E:JCW301 4.9 47.5 1.0
CA A:ALA124 5.0 25.8 1.0

Fluorine binding site 6 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 6 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F301

b:41.5
occ:1.00
 F F:JCW301 0.0 41.5 1.0
C10 F:JCW301 1.3 37.7 1.0
N2 F:JCW301 2.2 38.5 1.0
C6 F:JCW301 2.3 37.3 1.0
C2 F:JCW301 2.9 38.8 1.0
C3 F:JCW301 3.0 40.5 1.0
CG2 G:VAL125 3.3 32.3 1.0
C9 F:JCW301 3.4 38.0 1.0
O F:HOH424 3.5 27.1 1.0
C7 F:JCW301 3.6 37.5 1.0
C8 F:JCW301 4.0 38.3 1.0
CB G:VAL125 4.0 32.1 1.0
N F:JCW301 4.1 37.9 1.0
O G:MET133 4.1 34.3 1.0
CG1 F:VAL165 4.2 32.3 1.0
CB F:VAL165 4.2 30.8 1.0
C4 F:JCW301 4.3 39.8 1.0
N G:VAL125 4.4 32.4 1.0
O F:VAL165 4.6 29.4 1.0
CA F:VAL165 4.6 29.2 1.0
CG G:MET133 4.7 48.3 1.0
O G:ILE123 4.7 36.0 1.0
C G:MET133 4.7 34.3 1.0
CG1 G:ILE135 4.8 30.0 1.0
CA G:VAL125 4.8 31.4 1.0
CD1 G:ILE135 4.9 29.9 1.0
C G:ALA124 4.9 31.4 1.0
CB G:MET133 4.9 43.0 1.0
O F:JCW301 4.9 43.1 1.0
CE G:MET133 5.0 55.5 1.0

Fluorine binding site 7 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 7 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F301

b:40.9
occ:1.00
 F G:JCW301 0.0 40.9 1.0
C10 G:JCW301 1.3 42.1 1.0
N2 G:JCW301 2.2 43.0 1.0
C6 G:JCW301 2.3 43.6 1.0
C2 G:JCW301 2.9 45.0 1.0
C3 G:JCW301 3.1 46.5 1.0
CG2 H:VAL125 3.2 34.2 1.0
C9 G:JCW301 3.4 42.8 1.0
C7 G:JCW301 3.6 42.8 1.0
O H:HOH432 3.9 26.7 1.0
CB H:VAL125 4.0 35.5 1.0
C8 G:JCW301 4.0 41.8 1.0
O H:MET133 4.1 29.9 1.0
N G:JCW301 4.1 46.2 1.0
CG1 G:VAL165 4.2 45.0 1.0
CB G:VAL165 4.2 43.1 1.0
N H:VAL125 4.3 30.9 1.0
C4 G:JCW301 4.4 48.0 1.0
O G:VAL165 4.6 37.2 1.0
CA G:VAL165 4.6 39.9 1.0
O H:ILE123 4.6 31.1 1.0
CG H:MET133 4.7 44.9 1.0
C H:MET133 4.7 31.8 1.0
CA H:VAL125 4.8 33.8 1.0
C H:ALA124 4.8 31.8 1.0
CG1 H:ILE135 4.8 30.1 1.0
CB H:MET133 4.9 39.6 1.0
CD1 H:ILE135 4.9 28.5 1.0
CA H:ALA124 5.0 31.3 1.0

Fluorine binding site 8 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 8 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F301

b:36.4
occ:1.00
 F H:JCW301 0.0 36.4 1.0
C10 H:JCW301 1.3 36.1 1.0
N2 H:JCW301 2.2 34.5 1.0
C6 H:JCW301 2.4 36.7 1.0
C2 H:JCW301 3.0 39.8 1.0
C3 H:JCW301 3.1 41.9 1.0
CG2 I:VAL125 3.3 28.2 1.0
C9 H:JCW301 3.4 37.9 1.0
C7 H:JCW301 3.6 37.8 1.0
O H:HOH428 3.7 21.9 1.0
O I:MET133 3.9 29.6 1.0
CB I:VAL125 4.0 27.8 1.0
C8 H:JCW301 4.0 38.4 1.0
N I:VAL125 4.2 26.0 1.0
N H:JCW301 4.2 40.6 1.0
CG1 H:VAL165 4.3 34.4 1.0
CB H:VAL165 4.4 34.4 1.0
C4 H:JCW301 4.4 42.5 1.0
C I:MET133 4.5 31.9 1.0
CG I:MET133 4.5 40.8 1.0
O I:ILE123 4.6 29.2 1.0
CB I:MET133 4.7 35.8 1.0
CG1 I:ILE135 4.7 26.8 1.0
CA I:VAL125 4.7 27.1 1.0
C I:ALA124 4.7 25.4 1.0
CA H:VAL165 4.8 32.7 1.0
O H:VAL165 4.8 37.2 1.0
O H:JCW301 4.8 46.1 1.0
CD1 I:ILE135 4.8 27.0 1.0
CA I:ALA124 4.9 25.8 1.0

Fluorine binding site 9 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 9 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F301

b:31.1
occ:1.00
 F I:JCW301 0.0 31.1 1.0
C10 I:JCW301 1.3 29.7 1.0
N2 I:JCW301 2.2 28.9 1.0
C6 I:JCW301 2.4 29.8 1.0
C2 I:JCW301 3.0 29.6 1.0
C3 I:JCW301 3.0 29.8 1.0
CG2 J:VAL125 3.2 28.0 1.0
C9 I:JCW301 3.4 27.4 1.0
C7 I:JCW301 3.6 27.2 1.0
O J:HOH422 3.8 21.9 1.0
CB J:VAL125 3.9 26.4 1.0
O J:MET133 4.0 25.0 1.0
C8 I:JCW301 4.0 27.8 1.0
N I:JCW301 4.2 31.0 1.0
N J:VAL125 4.2 25.4 1.0
C4 I:JCW301 4.3 31.2 1.0
CG1 I:VAL165 4.4 28.6 1.0
CB I:VAL165 4.4 27.7 1.0
CG J:MET133 4.4 39.2 1.0
C J:MET133 4.6 27.5 1.0
CB J:MET133 4.6 34.4 1.0
CA J:VAL125 4.7 24.9 1.0
CG1 J:ILE135 4.7 24.1 1.0
O I:VAL165 4.7 24.8 1.0
O J:ILE123 4.8 27.2 1.0
C J:ALA124 4.8 25.3 1.0
CA I:VAL165 4.8 25.5 1.0
CD1 J:ILE135 4.8 24.4 1.0
O I:JCW301 4.8 33.3 1.0
CA J:ALA124 5.0 24.3 1.0

Fluorine binding site 10 out of 10 in 6qqp

Go back to Fluorine Binding Sites List in 6qqp
Fluorine binding site 10 out of 10 in the Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Aplysia Californica Achbp in Complex with 2-Fluoro- (Carbamoylpyridinyl)Deschloroepibatidine Analogue (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
J:F301

b:33.4
occ:1.00
 F J:JCW301 0.0 33.4 1.0
C10 J:JCW301 1.3 32.6 1.0
N2 J:JCW301 2.2 30.6 1.0
C6 J:JCW301 2.3 33.9 1.0
C2 J:JCW301 2.9 38.8 1.0
C3 J:JCW301 3.0 39.8 1.0
CG2 F:VAL125 3.2 27.8 1.0
C9 J:JCW301 3.4 29.0 1.0
C7 J:JCW301 3.5 30.7 1.0
O J:HOH425 3.6 25.5 1.0
CB F:VAL125 3.9 27.2 1.0
O F:MET133 4.0 31.1 1.0
C8 J:JCW301 4.0 30.2 1.0
N J:JCW301 4.1 40.6 1.0
N F:VAL125 4.2 27.1 1.0
CG1 J:VAL165 4.3 30.2 1.0
C4 J:JCW301 4.3 41.4 1.0
CB J:VAL165 4.4 30.7 1.0
CG F:MET133 4.6 43.0 1.0
C F:MET133 4.6 30.1 1.0
O F:ILE123 4.6 26.8 1.0
CA F:VAL125 4.7 26.9 1.0
CG1 F:ILE135 4.7 22.4 1.0
CB F:MET133 4.7 35.9 1.0
C F:ALA124 4.8 27.8 1.0
O J:VAL165 4.8 31.1 1.0
CA J:VAL165 4.8 29.0 1.0
O J:JCW301 4.8 42.8 1.0
CD1 F:ILE135 4.9 23.1 1.0
CA F:ALA124 5.0 27.0 1.0

Reference:

R.V.Bueno, S.Davis, A.Dawson, W.N.Hunter. Aplysia Californica Achbp in Complex with 2-Fluoro-(Carbamoylpyridinyl)Deschloroepibatidine Analogues To Be Published.
Page generated: Fri Aug 2 01:00:32 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy