Fluorine in PDB 7roj: Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation

The structure of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, PDB code: 7roj was solved by M.R.Sawaya, T.D.Do, D.S.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.09 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	25.27, 36.33, 64.13, 90, 91.92, 90
R / Rfree (%)	23.9 / 27.7

The structure of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation (pdb code 7roj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation, PDB code: 7roj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:40.0 occ:0.50 F1 B:TFA101 0.0 40.0 0.5 C2 B:TFA101 1.3 40.9 0.5 F3 B:TFA101 2.1 42.6 0.5 F2 B:TFA101 2.1 43.1 0.5 C1 B:TFA101 2.4 40.2 0.5 O B:TFA101 2.8 41.6 0.5 OXT B:TFA101 3.2 43.2 0.5 NE1 F:TRP6 3.5 24.8 1.0 CH2 C:TRP6 3.9 33.3 1.0 CD1 F:TRP6 4.0 20.5 1.0 CZ2 D:TRP6 4.2 28.2 1.0 CZ2 C:TRP6 4.2 35.0 1.0 CE2 F:TRP6 4.3 22.6 1.0 CZ2 F:TRP6 4.8 27.7 1.0 CZ3 E:TRP6 4.9 21.7 1.0 CE2 D:TRP6 5.0 28.3 1.0

Fluorine binding site 2 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:43.1 occ:0.50 F2 B:TFA101 0.0 43.1 0.5 C2 B:TFA101 1.3 40.9 0.5 F3 B:TFA101 2.1 42.6 0.5 F1 B:TFA101 2.1 40.0 0.5 C1 B:TFA101 2.4 40.2 0.5 OXT B:TFA101 2.6 43.2 0.5 O B:TFA101 3.5 41.6 0.5 CH2 C:TRP6 4.4 33.3 1.0

Fluorine binding site 3 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:42.6 occ:0.50 F3 B:TFA101 0.0 42.6 0.5 C2 B:TFA101 1.3 40.9 0.5 F2 B:TFA101 2.1 43.1 0.5 F1 B:TFA101 2.1 40.0 0.5 C1 B:TFA101 2.4 40.2 0.5 O B:TFA101 2.8 41.6 0.5 OXT B:TFA101 3.3 43.2 0.5 CG1 F:VAL4 4.3 24.4 1.0 NE1 F:TRP6 4.6 24.8 1.0 CD1 F:TRP6 4.6 20.5 1.0 CB F:VAL4 4.6 21.1 1.0 CZ3 E:TRP6 4.6 21.7 1.0

Fluorine binding site 4 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ C:F101 b:52.4 occ:0.70 F1 C:TFA101 0.0 52.4 0.7 C2 C:TFA101 1.3 56.2 0.7 F2 C:TFA101 2.1 55.0 0.7 F3 C:TFA101 2.1 57.5 0.7 C1 C:TFA101 2.4 57.7 0.7 OXT C:TFA101 2.9 52.7 0.7 CD1 C:ILE9 3.2 36.6 1.0 O C:TFA101 3.2 60.7 0.7 CG1 C:VAL11 4.6 51.0 1.0 CG1 C:ILE9 4.7 32.2 1.0 CG1 A:VAL11 4.9 39.1 1.0

Fluorine binding site 5 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ C:F101 b:55.0 occ:0.70 F2 C:TFA101 0.0 55.0 0.7 C2 C:TFA101 1.3 56.2 0.7 F1 C:TFA101 2.1 52.4 0.7 F3 C:TFA101 2.1 57.5 0.7 C1 C:TFA101 2.4 57.7 0.7 OXT C:TFA101 2.8 52.7 0.7 O C:TFA101 3.3 60.7 0.7 CG1 C:VAL11 4.2 51.0 1.0 CD1 C:ILE9 4.2 36.6 1.0 CG2 C:VAL11 5.0 49.5 1.0 CB C:VAL11 5.0 50.1 1.0 CG D:LYS3 5.0 31.6 1.0

Fluorine binding site 6 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ C:F101 b:57.5 occ:0.70 F3 C:TFA101 0.0 57.5 0.7 C2 C:TFA101 1.3 56.2 0.7 F2 C:TFA101 2.1 55.0 0.7 F1 C:TFA101 2.1 52.4 0.7 C1 C:TFA101 2.4 57.7 0.7 O C:TFA101 2.6 60.7 0.7 OXT C:TFA101 3.5 52.7 0.7 CD1 A:ILE9 3.9 36.9 1.0 CG1 A:VAL11 4.2 39.1 1.0 CD1 C:ILE9 4.6 36.6 1.0 CD2 D:LEU5 4.9 31.4 1.0

Fluorine binding site 7 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ G:F101 b:83.2 occ:1.00 F1 G:TFA101 0.0 83.2 1.0 C2 G:TFA101 1.3 80.2 1.0 F2 G:TFA101 2.1 78.8 1.0 F3 G:TFA101 2.1 76.3 1.0 C1 G:TFA101 2.4 73.7 1.0 OXT G:TFA101 2.8 73.0 1.0 O G:TFA101 3.3 72.6 1.0 CD1 I:ILE9 4.9 37.9 1.0 CG1 I:VAL11 4.9 38.5 1.0

Fluorine binding site 8 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ G:F101 b:78.8 occ:1.00 F2 G:TFA101 0.0 78.8 1.0 C2 G:TFA101 1.3 80.2 1.0 F3 G:TFA101 2.1 76.3 1.0 F1 G:TFA101 2.1 83.2 1.0 C1 G:TFA101 2.4 73.7 1.0 O G:TFA101 2.6 72.6 1.0 OXT G:TFA101 3.5 73.0 1.0 CG1 I:VAL11 3.6 38.5 1.0 CD1 I:ILE9 3.9 37.9 1.0 CD2 G:LEU5 4.2 30.5 1.0 CB I:VAL11 4.4 42.3 1.0 O J:HOH101 4.6 44.0 1.0 CD J:LYS3 4.7 26.1 1.0 CG2 I:VAL11 4.7 41.2 1.0 NZ J:LYS3 4.7 35.7 1.0

Fluorine binding site 9 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ G:F101 b:76.3 occ:1.00 F3 G:TFA101 0.0 76.3 1.0 C2 G:TFA101 1.3 80.2 1.0 F2 G:TFA101 2.1 78.8 1.0 F1 G:TFA101 2.1 83.2 1.0 C1 G:TFA101 2.4 73.7 1.0 OXT G:TFA101 2.9 73.0 1.0 O G:TFA101 3.2 72.6 1.0 CD2 G:LEU5 3.4 30.5 1.0 CD1 H:ILE9 3.8 36.5 1.0 CD1 I:ILE9 3.9 37.9 1.0 CD1 G:LEU5 4.1 21.4 1.0 CG G:LEU5 4.3 23.6 1.0 CG2 H:ILE9 4.8 36.2 1.0

Fluorine binding site 10 out of 12 in the Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Amyloid-Related Segment of Alphab-Crystallin Residues 90-100 with G95W Mutation within 5.0Å range: probe atom residue distance (Å) B Occ K:F101 b:60.0 occ:1.00 F1 K:TFA101 0.0 60.0 1.0 C2 K:TFA101 1.3 55.9 1.0 F3 K:TFA101 2.1 53.5 1.0 F2 K:TFA101 2.1 55.2 1.0 C1 K:TFA101 2.4 54.5 1.0 OXT K:TFA101 2.8 54.8 1.0 O K:TFA101 3.3 50.7 1.0 CG1 I:VAL8 4.6 24.9 1.0 CG2 E:VAL8 4.8 24.7 1.0 CE3 I:TRP6 4.8 18.4 1.0

A.L.H.Gray, M.R.Sawaya, D.Acharyya, J.Lou, E.M.Edington, M.D.Best, R.A.Prosser, D.S.Eisenberg, T.D.Do. Atomic View of An Amyloid Dodecamer Exhibiting Selective Cellular Toxic Vulnerability in Acute Brain Slices. Protein Sci. V. 31 716 2022.
ISSN: ESSN 1469-896X
PubMed: 34954854
DOI: 10.1002/PRO.4268