Fluorine in PDB 8w9g: Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078

The structure of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078, PDB code: 8w9g was solved by W.Iwasaki, K.Katsura, Y.Tomabechi, H.Niwa, K.Ogawa, S.Kojima, M.Shirouzu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.50 / 2.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	63.79, 67.66, 85.03, 68.26, 69.71, 83.01
R / Rfree (%)	19.1 / 23.6

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 (pdb code 8w9g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078, PDB code: 8w9g:
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 Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:40.5 occ:1.00 F1 A:5PT201 0.0 40.5 1.0 C18 A:5PT201 1.4 45.4 1.0 C19 A:5PT201 2.3 35.9 1.0 C17 A:5PT201 2.3 36.8 1.0 CB A:THR33 3.1 30.8 1.0 CD2 A:LEU30 3.2 33.3 1.0 CG2 A:THR33 3.3 30.6 1.0 OG1 A:THR33 3.3 32.0 1.0 C20 A:5PT201 3.6 41.5 1.0 C16 A:5PT201 3.6 36.4 1.0 CG2 A:ILE105 3.6 37.3 1.0 CA A:LEU30 3.9 36.8 1.0 CD1 A:ILE105 3.9 32.1 1.0 C15 A:5PT201 4.1 35.7 1.0 O A:LEU30 4.1 41.7 1.0 CG A:LEU30 4.2 34.9 1.0 O A:ASP29 4.3 34.6 1.0 CB A:ILE105 4.4 40.9 1.0 CB A:LEU30 4.4 32.8 1.0 C A:LEU30 4.5 38.2 1.0 CA A:THR33 4.5 36.3 1.0 CG1 A:ILE105 4.7 41.2 1.0 N A:LEU30 4.8 40.4 1.0 CG A:PRO25 4.8 36.0 1.0 C A:ASP29 4.9 37.3 1.0

Fluorine binding site 2 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:42.4 occ:1.00 F2 A:5PT201 0.0 42.4 1.0 C21 A:5PT201 1.3 53.4 1.0 C9 A:5PT201 2.4 58.3 1.0 C13 A:5PT201 2.4 55.2 1.0 N1 A:5PT201 2.7 59.0 1.0 N2 A:5PT201 2.7 38.7 1.0 C14 A:5PT201 2.9 48.6 1.0 C8 A:5PT201 2.9 64.3 1.0 C10 A:5PT201 3.6 49.7 1.0 C12 A:5PT201 3.6 47.8 1.0 C1 A:5PT201 3.7 41.1 1.0 C15 A:5PT201 3.8 35.7 1.0 C7 A:5PT201 4.0 58.0 1.0 CZ A:PHE110 4.0 47.4 1.0 O2 A:5PT201 4.1 43.7 1.0 O1 A:5PT201 4.1 73.2 1.0 C11 A:5PT201 4.1 41.7 1.0 C2 A:5PT201 4.3 52.6 1.0 C16 A:5PT201 4.5 36.4 1.0 C20 A:5PT201 4.6 41.5 1.0 CE2 A:PHE110 4.7 39.2 1.0 CD1 A:LEU140 4.8 47.4 1.0 CB A:LEU140 4.8 57.4 1.0 CE1 A:PHE110 4.9 46.8 1.0

Fluorine binding site 3 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:51.6 occ:1.00 F1 A:5PT202 0.0 51.6 1.0 C18 A:5PT202 1.4 40.4 1.0 C19 A:5PT202 2.3 40.7 1.0 C17 A:5PT202 2.3 41.3 1.0 CB F:THR33 3.3 32.5 1.0 CD2 F:LEU30 3.3 33.9 1.0 OG1 F:THR33 3.3 33.2 1.0 CG2 F:THR33 3.5 27.1 1.0 C20 A:5PT202 3.6 41.2 1.0 C16 A:5PT202 3.6 39.0 1.0 CG2 F:ILE105 3.8 35.8 1.0 CA F:LEU30 3.8 35.7 1.0 CD1 F:ILE105 4.0 36.4 1.0 C15 A:5PT202 4.1 34.5 1.0 CG F:LEU30 4.2 36.5 1.0 O F:ASP29 4.2 40.1 1.0 O F:LEU30 4.2 32.0 1.0 CB F:LEU30 4.4 31.0 1.0 CB F:ILE105 4.4 36.5 1.0 C F:LEU30 4.5 38.2 1.0 N F:LEU30 4.6 34.4 1.0 CA F:THR33 4.7 33.4 1.0 CG F:PRO25 4.7 34.4 1.0 C F:ASP29 4.8 40.0 1.0 CG1 F:ILE105 4.8 32.9 1.0

Fluorine binding site 4 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:33.9 occ:1.00 F2 A:5PT202 0.0 33.9 1.0 C21 A:5PT202 1.3 53.9 1.0 C9 A:5PT202 2.4 50.4 1.0 C13 A:5PT202 2.4 42.1 1.0 N1 A:5PT202 2.6 49.6 1.0 N2 A:5PT202 2.8 45.6 1.0 C8 A:5PT202 2.9 53.4 1.0 C14 A:5PT202 2.9 47.1 1.0 OG1 A:THR128 3.1 37.2 1.0 C1 A:5PT202 3.5 43.5 1.0 C10 A:5PT202 3.6 44.7 1.0 C12 A:5PT202 3.6 45.7 1.0 C7 A:5PT202 3.9 47.9 1.0 C15 A:5PT202 4.0 34.5 1.0 CZ F:PHE110 4.0 37.1 1.0 O2 A:5PT202 4.1 46.5 1.0 CG2 A:VAL124 4.1 43.8 1.0 C11 A:5PT202 4.1 44.4 1.0 O1 A:5PT202 4.1 60.8 1.0 C2 A:5PT202 4.2 51.3 1.0 CB A:THR128 4.3 40.6 1.0 O A:VAL124 4.4 42.4 1.0 CG2 A:THR128 4.4 37.5 1.0 CE2 F:PHE110 4.6 33.2 1.0 CB F:LEU140 4.7 47.6 1.0 C20 A:5PT202 4.7 41.2 1.0 O F:LEU140 4.7 54.5 1.0 C16 A:5PT202 4.8 39.0 1.0 CE1 F:PHE110 4.8 45.7 1.0 C A:VAL124 4.8 40.9 1.0

Fluorine binding site 5 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:45.9 occ:1.00 F1 B:5PT201 0.0 45.9 1.0 C18 B:5PT201 1.4 41.4 1.0 C19 B:5PT201 2.3 39.7 1.0 C17 B:5PT201 2.3 38.0 1.0 CB B:THR33 3.2 33.3 1.0 CG2 B:THR33 3.2 29.7 1.0 CD2 B:LEU30 3.2 33.5 1.0 OG1 B:THR33 3.4 30.5 1.0 CG2 B:ILE105 3.6 36.6 1.0 C20 B:5PT201 3.6 42.2 1.0 C16 B:5PT201 3.6 37.6 1.0 CA B:LEU30 3.8 35.8 1.0 CD1 B:ILE105 3.9 30.8 1.0 C15 B:5PT201 4.1 42.2 1.0 CG B:LEU30 4.2 34.9 1.0 O B:ASP29 4.3 32.6 1.0 O B:LEU30 4.3 34.4 1.0 CB B:ILE105 4.3 38.5 1.0 CB B:LEU30 4.3 34.4 1.0 C B:LEU30 4.6 37.7 1.0 CA B:THR33 4.6 27.8 1.0 N B:LEU30 4.6 42.4 1.0 CG1 B:ILE105 4.7 36.3 1.0 C B:ASP29 4.8 34.3 1.0 CG B:PRO25 4.8 31.8 1.0

Fluorine binding site 6 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:42.7 occ:1.00 F2 B:5PT201 0.0 42.7 1.0 C21 B:5PT201 1.3 52.9 1.0 C9 B:5PT201 2.4 56.5 1.0 C13 B:5PT201 2.4 52.6 1.0 N1 B:5PT201 2.6 53.8 1.0 N2 B:5PT201 2.8 45.4 1.0 C8 B:5PT201 2.9 61.1 1.0 C14 B:5PT201 2.9 51.2 1.0 OG1 C:THR128 3.1 36.5 1.0 C1 B:5PT201 3.5 47.7 1.0 C10 B:5PT201 3.6 47.1 1.0 C12 B:5PT201 3.6 48.1 1.0 C7 B:5PT201 3.8 49.1 1.0 CG1 C:VAL124 3.8 33.6 1.0 C15 B:5PT201 3.9 42.2 1.0 O2 B:5PT201 4.1 45.0 1.0 O1 B:5PT201 4.1 63.3 1.0 C11 B:5PT201 4.1 47.5 1.0 C2 B:5PT201 4.2 50.6 1.0 CB C:THR128 4.3 39.5 1.0 CZ B:PHE110 4.3 46.5 1.0 O C:VAL124 4.5 39.7 1.0 CG2 C:THR128 4.5 41.1 1.0 C16 B:5PT201 4.6 37.6 1.0 C20 B:5PT201 4.7 42.2 1.0 CE2 B:PHE110 4.9 43.7 1.0 C C:VAL124 4.9 43.6 1.0

Fluorine binding site 7 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:43.5 occ:1.00 F1 C:5PT201 0.0 43.5 1.0 C18 C:5PT201 1.4 40.4 1.0 C19 C:5PT201 2.3 37.3 1.0 C17 C:5PT201 2.3 44.2 1.0 CD2 C:LEU30 3.1 37.4 1.0 CB C:THR33 3.2 32.7 1.0 OG1 C:THR33 3.2 25.6 1.0 CG2 C:THR33 3.3 25.1 1.0 C20 C:5PT201 3.6 40.7 1.0 C16 C:5PT201 3.6 45.6 1.0 CA C:LEU30 3.8 36.7 1.0 CG2 C:ILE105 3.9 33.0 1.0 CG C:LEU30 3.9 39.4 1.0 C15 C:5PT201 4.1 36.9 1.0 O C:LEU30 4.2 39.1 1.0 O C:ASP29 4.2 40.2 1.0 CD1 C:ILE105 4.2 32.2 1.0 CB C:LEU30 4.2 29.0 1.0 C C:LEU30 4.5 36.8 1.0 CB C:ILE105 4.6 29.5 1.0 CA C:THR33 4.6 33.1 1.0 N C:LEU30 4.6 38.2 1.0 CG C:PRO25 4.8 41.0 1.0 C C:ASP29 4.8 40.7 1.0 CG1 C:ILE105 5.0 31.1 1.0

Fluorine binding site 8 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:40.7 occ:1.00 F2 C:5PT201 0.0 40.7 1.0 C21 C:5PT201 1.3 53.5 1.0 C9 C:5PT201 2.4 53.6 1.0 C13 C:5PT201 2.4 51.3 1.0 N1 C:5PT201 2.6 54.4 1.0 N2 C:5PT201 2.7 44.8 1.0 C14 C:5PT201 2.9 44.5 1.0 C8 C:5PT201 2.9 61.8 1.0 C1 C:5PT201 3.5 48.9 1.0 C10 C:5PT201 3.6 48.0 1.0 C12 C:5PT201 3.6 54.1 1.0 C7 C:5PT201 3.9 49.5 1.0 C15 C:5PT201 3.9 36.9 1.0 O2 C:5PT201 4.1 46.2 1.0 C11 C:5PT201 4.1 45.2 1.0 O1 C:5PT201 4.1 72.8 1.0 C2 C:5PT201 4.2 56.2 1.0 CB C:LEU140 4.3 63.0 1.0 CZ C:PHE110 4.5 49.0 1.0 C16 C:5PT201 4.6 45.6 1.0 C20 C:5PT201 4.7 40.7 1.0 CD2 C:LEU140 4.9 53.5 1.0 O C:LEU140 4.9 67.1 1.0

Fluorine binding site 9 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ D:F201 b:52.4 occ:1.00 F1 D:5PT201 0.0 52.4 1.0 C18 D:5PT201 1.4 51.3 1.0 C19 D:5PT201 2.3 39.9 1.0 C17 D:5PT201 2.3 46.2 1.0 CB D:THR33 3.1 30.8 1.0 CD2 D:LEU30 3.1 42.7 1.0 OG1 D:THR33 3.2 33.5 1.0 CG2 D:THR33 3.3 24.5 1.0 C20 D:5PT201 3.6 44.4 1.0 C16 D:5PT201 3.6 44.0 1.0 CA D:LEU30 3.8 40.7 1.0 CG2 D:ILE105 3.9 34.7 1.0 C15 D:5PT201 4.1 39.3 1.0 CG D:LEU30 4.1 41.1 1.0 CD1 D:ILE105 4.1 38.1 1.0 O D:LEU30 4.1 32.6 1.0 O D:ASP29 4.3 39.4 1.0 CB D:LEU30 4.3 39.1 1.0 C D:LEU30 4.5 38.4 1.0 CA D:THR33 4.6 34.7 1.0 CB D:ILE105 4.6 36.4 1.0 N D:LEU30 4.7 38.3 1.0 C D:ASP29 4.9 38.3 1.0 CG1 D:ILE105 4.9 35.0 1.0 CG D:PRO25 4.9 36.8 1.0

Fluorine binding site 10 out of 12 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Cbt-078 within 5.0Å range: probe atom residue distance (Å) B Occ D:F201 b:47.8 occ:1.00 F2 D:5PT201 0.0 47.8 1.0 C21 D:5PT201 1.3 61.4 1.0 C13 D:5PT201 2.4 58.1 1.0 C9 D:5PT201 2.4 59.2 1.0 N1 D:5PT201 2.6 64.2 1.0 N2 D:5PT201 2.7 48.8 1.0 C14 D:5PT201 2.9 56.1 1.0 C8 D:5PT201 2.9 62.0 1.0 OG1 E:THR128 3.1 42.8 1.0 C1 D:5PT201 3.5 58.6 1.0 C12 D:5PT201 3.6 53.0 1.0 C10 D:5PT201 3.6 50.1 1.0 C15 D:5PT201 3.8 39.3 1.0 C7 D:5PT201 3.8 65.8 1.0 CG2 E:VAL124 4.0 42.1 1.0 O2 D:5PT201 4.1 54.1 1.0 C11 D:5PT201 4.1 51.7 1.0 O1 D:5PT201 4.1 66.8 1.0 C2 D:5PT201 4.1 66.0 1.0 CB E:THR128 4.3 43.6 1.0 O E:VAL124 4.3 44.2 1.0 CG2 E:THR128 4.5 45.3 1.0 C16 D:5PT201 4.6 44.0 1.0 C20 D:5PT201 4.6 44.4 1.0 C E:VAL124 4.9 41.9 1.0 CD2 D:LEU140 5.0 42.6 1.0

K.Ogawa, Y.Furutani, W.Iwasaki, K.Katsura, Y.Tomabechi, S.Kojima, M.Shirouzu. Screening Systems For the Detection of Hepatitis B Virus Replication and Capsid Assembly To Be Published.