Atomistry » Fluorine » PDB 8hyp-8ijw » 8i71
Atomistry »
  Fluorine »
    PDB 8hyp-8ijw »
      8i71 »

Fluorine in PDB 8i71: Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam)

Protein crystallography data

The structure of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam), PDB code: 8i71 was solved by Z.Zhou, Z.H.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.51 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 64.392, 67.565, 86.246, 68.6, 69.81, 83.87
R / Rfree (%) 15.5 / 19.3

Other elements in 8i71:

The structure of Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) (pdb code 8i71). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam), PDB code: 8i71:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8i71

Go back to Fluorine Binding Sites List in 8i71
Fluorine binding site 1 out of 6 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam)


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 Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F206

b:30.2
occ:1.00
 F37 A:OTI206 0.0 30.2 1.0
C34 A:OTI206 1.4 28.7 1.0
C33 A:OTI206 2.3 27.6 1.0
C35 A:OTI206 2.4 26.9 1.0
C36 A:OTI206 2.8 27.0 1.0
CD2 A:LEU30 3.2 26.3 1.0
CB A:THR33 3.2 30.1 1.0
CG2 A:THR33 3.3 30.6 1.0
OG1 A:THR33 3.4 28.9 1.0
C32 A:OTI206 3.6 27.6 1.0
C30 A:OTI206 3.7 26.9 1.0
CA A:LEU30 3.8 27.7 1.0
C31 A:OTI206 4.1 27.2 1.0
CD1 A:ILE105 4.2 25.2 1.0
CG2 A:ILE105 4.2 27.8 1.0
CG A:LEU30 4.3 25.3 1.0
O A:ASP29 4.3 30.4 1.0
O A:LEU30 4.3 30.3 1.0
CB A:LEU30 4.4 25.3 1.0
C A:LEU30 4.6 29.7 1.0
N A:LEU30 4.6 27.8 1.0
CA A:THR33 4.7 29.6 1.0
CB A:ILE105 4.7 25.7 1.0
C42 A:OTI206 4.7 30.3 1.0
CG A:PRO25 4.8 26.6 1.0
C A:ASP29 4.8 29.4 1.0
C21 A:OTI206 4.9 27.6 1.0

Fluorine binding site 2 out of 6 in 8i71

Go back to Fluorine Binding Sites List in 8i71
Fluorine binding site 2 out of 6 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam)


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 Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F204

b:29.2
occ:1.00
 F37 B:OTI204 0.0 29.2 1.0
C34 B:OTI204 1.4 26.2 1.0
C33 B:OTI204 2.3 26.1 1.0
C35 B:OTI204 2.4 24.8 1.0
C36 B:OTI204 2.8 25.4 1.0
CD2 B:LEU30 3.2 24.5 1.0
CB B:THR33 3.3 27.3 1.0
CG2 B:THR33 3.4 27.7 1.0
OG1 B:THR33 3.5 27.7 1.0
C32 B:OTI204 3.6 24.8 1.0
C30 B:OTI204 3.6 25.1 1.0
CA B:LEU30 3.8 23.8 1.0
C31 B:OTI204 4.1 24.7 1.0
O B:ASP29 4.2 27.5 1.0
CD1 B:ILE105 4.2 21.9 1.0
CG2 B:ILE105 4.2 26.5 1.0
CG B:LEU30 4.3 23.5 1.0
O B:LEU30 4.4 26.9 1.0
CB B:LEU30 4.5 22.9 1.0
N B:LEU30 4.6 24.8 1.0
C B:LEU30 4.6 24.8 1.0
C42 B:OTI204 4.6 34.4 1.0
CG B:PRO25 4.7 25.7 1.0
C B:ASP29 4.7 26.5 1.0
CA B:THR33 4.7 28.2 1.0
CB B:ILE105 4.8 24.8 1.0
C21 B:OTI204 4.9 25.7 1.0
CB B:PRO25 5.0 26.9 1.0

Fluorine binding site 3 out of 6 in 8i71

Go back to Fluorine Binding Sites List in 8i71
Fluorine binding site 3 out of 6 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam)


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 Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F205

b:27.5
occ:1.00
 F37 C:OTI205 0.0 27.5 1.0
C34 C:OTI205 1.4 26.2 1.0
C33 C:OTI205 2.3 25.6 1.0
C35 C:OTI205 2.4 23.9 1.0
C36 C:OTI205 2.8 22.9 1.0
CD2 C:LEU30 3.2 24.0 1.0
CB C:THR33 3.3 25.1 1.0
CG2 C:THR33 3.3 25.2 1.0
OG1 C:THR33 3.4 25.3 1.0
C32 C:OTI205 3.6 25.6 1.0
C30 C:OTI205 3.6 24.4 1.0
CA C:LEU30 3.8 21.7 1.0
C31 C:OTI205 4.1 24.3 1.0
CD1 C:ILE105 4.2 24.7 1.0
CG2 C:ILE105 4.2 25.8 1.0
O C:ASP29 4.2 25.3 1.0
CG C:LEU30 4.2 21.8 1.0
O C:LEU30 4.2 24.6 1.0
CB C:LEU30 4.4 20.9 1.0
C C:LEU30 4.5 24.2 1.0
C42 C:OTI205 4.5 29.6 1.0
N C:LEU30 4.6 24.0 1.0
CA C:THR33 4.7 25.6 1.0
CB C:ILE105 4.7 23.9 1.0
C C:ASP29 4.7 24.4 1.0
CG C:PRO25 4.8 24.6 1.0
C21 C:OTI205 4.9 25.4 1.0

Fluorine binding site 4 out of 6 in 8i71

Go back to Fluorine Binding Sites List in 8i71
Fluorine binding site 4 out of 6 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam)


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 Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F204

b:28.6
occ:1.00
 F37 D:OTI204 0.0 28.6 1.0
C34 D:OTI204 1.4 26.6 1.0
C33 D:OTI204 2.3 27.6 1.0
C35 D:OTI204 2.4 25.0 1.0
C36 D:OTI204 2.8 25.6 1.0
CD2 D:LEU30 3.2 26.0 1.0
CB D:THR33 3.2 27.8 1.0
CG2 D:THR33 3.3 27.1 1.0
OG1 D:THR33 3.4 27.7 1.0
C32 D:OTI204 3.6 26.3 1.0
C30 D:OTI204 3.6 25.0 1.0
CA D:LEU30 3.7 24.5 1.0
C31 D:OTI204 4.0 26.9 1.0
CG D:LEU30 4.2 24.1 1.0
O D:LEU30 4.2 28.1 1.0
O D:ASP29 4.2 26.0 1.0
CG2 D:ILE105 4.2 26.8 1.0
CD1 D:ILE105 4.3 25.7 1.0
CB D:LEU30 4.3 23.8 1.0
C D:LEU30 4.5 27.1 1.0
N D:LEU30 4.5 25.1 1.0
C42 D:OTI204 4.6 35.4 1.0
CA D:THR33 4.7 27.2 1.0
C D:ASP29 4.7 25.9 1.0
CG D:PRO25 4.8 26.0 1.0
CB D:ILE105 4.8 25.6 1.0
C21 D:OTI204 5.0 26.2 1.0

Fluorine binding site 5 out of 6 in 8i71

Go back to Fluorine Binding Sites List in 8i71
Fluorine binding site 5 out of 6 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam)


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 Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F202

b:32.5
occ:1.00
 F37 E:OTI202 0.0 32.5 1.0
C34 E:OTI202 1.4 32.2 1.0
C33 E:OTI202 2.3 31.0 1.0
C35 E:OTI202 2.4 30.0 1.0
C36 E:OTI202 2.8 30.2 1.0
CB E:THR33 3.2 31.4 1.0
CD2 E:LEU30 3.2 29.1 1.0
CG2 E:THR33 3.3 32.2 1.0
OG1 E:THR33 3.4 32.5 1.0
C32 E:OTI202 3.6 31.4 1.0
C30 E:OTI202 3.6 30.6 1.0
CA E:LEU30 3.9 28.3 1.0
C31 E:OTI202 4.0 30.5 1.0
CD1 E:ILE105 4.2 24.9 1.0
CG2 E:ILE105 4.2 26.7 1.0
O E:ASP29 4.2 29.5 1.0
CG E:LEU30 4.3 28.1 1.0
O E:LEU30 4.4 29.9 1.0
CB E:LEU30 4.5 26.4 1.0
N E:LEU30 4.6 29.3 1.0
CA E:THR33 4.7 31.5 1.0
C E:LEU30 4.7 29.5 1.0
C42 E:OTI202 4.7 35.3 1.0
CB E:ILE105 4.7 26.7 1.0
CG E:PRO25 4.8 27.3 1.0
C E:ASP29 4.8 30.5 1.0
C21 E:OTI202 4.9 30.1 1.0

Fluorine binding site 6 out of 6 in 8i71

Go back to Fluorine Binding Sites List in 8i71
Fluorine binding site 6 out of 6 in the Hepatitis B Virus Core Protein Y132A Mutant in Complex with Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam)


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 Linvencorvir (RG7907), A Hepatitis B Virus (Hbv) Core Protein Allosteric Modulator (Cpam) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F203

b:28.5
occ:1.00
 F37 F:OTI203 0.0 28.5 1.0
C34 F:OTI203 1.4 26.6 1.0
C33 F:OTI203 2.3 26.5 1.0
C35 F:OTI203 2.4 25.7 1.0
C36 F:OTI203 2.8 26.8 1.0
CD2 F:LEU30 3.2 25.8 1.0
CB F:THR33 3.2 29.0 1.0
CG2 F:THR33 3.4 28.3 1.0
OG1 F:THR33 3.4 30.2 1.0
C32 F:OTI203 3.6 26.8 1.0
C30 F:OTI203 3.6 26.0 1.0
CA F:LEU30 3.8 27.0 1.0
C31 F:OTI203 4.1 25.8 1.0
O F:ASP29 4.2 29.4 1.0
CG2 F:ILE105 4.2 27.2 1.0
CG F:LEU30 4.3 25.3 1.0
CD1 F:ILE105 4.3 26.2 1.0
O F:LEU30 4.4 28.4 1.0
CB F:LEU30 4.4 26.3 1.0
N F:LEU30 4.5 27.6 1.0
C F:LEU30 4.6 27.6 1.0
CA F:THR33 4.7 29.0 1.0
C F:ASP29 4.7 28.7 1.0
CG F:PRO25 4.7 24.2 1.0
C42 F:OTI203 4.8 30.2 1.0
CB F:ILE105 4.8 25.6 1.0
C21 F:OTI203 4.9 25.9 1.0

Reference:

W.Zhang, L.Guo, H.Liu, G.Wu, H.Shi, M.Zhou, Z.Zhang, B.Kou, T.Hu, Z.Zhou, Z.Xu, X.Zhou, Y.Zhou, X.Tian, G.Yang, J.A.T.Young, H.Qiu, G.Ottaviani, J.Xie, A.V.Mayweg, H.C.Shen, W.Zhu. Discovery of Linvencorvir (RG7907), A Hepatitis B Virus Core Protein Allosteric Modulator, For the Treatment of Chronic Hbv Infection. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 36896968
DOI: 10.1021/ACS.JMEDCHEM.3C00173
Page generated: Wed Jul 16 05:34:02 2025

Last articles

Mg in 9ENA
Mg in 9EMI
Mg in 9EJN
Mg in 9EM9
Mg in 9EM1
Mg in 9EI4
Mg in 9EJM
Mg in 9E0J
Mg in 9ED0
Mg in 9EH5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy