Bromine in PDB 4g93: Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130

The structure of Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130, PDB code: 4g93 was solved by S.P.Katen, A.Zlotnick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 4.20
Space group	C 1 2 1 9
Cell size a, b, c (Å), α, β, γ (°)	527.379, 362.754, 538.226, 90.00, 105.13, 90.00
R / Rfree (%)	37.9 / 38.3

The binding sites of Bromine atom in the Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130 (pdb code 4g93). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130, PDB code: 4g93:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:70.3 occ:1.00 BR1 B:0YP201 0.0 70.3 1.0 C9 B:0YP201 1.9 64.6 1.0 O03 B:0YP201 2.6 0.0 0.0 C2 B:0YP201 2.9 62.8 1.0 C10 B:0YP201 3.0 64.7 1.0 C8 B:0YP201 3.1 60.1 1.0 C11 B:0YP201 3.1 64.2 1.0 N1 B:0YP201 3.8 62.0 1.0 O1 B:0YP201 3.8 60.1 1.0 C02 B:0YP201 3.9 0.0 0.0 C3 B:0YP201 3.9 61.0 1.0 N2 B:0YP201 4.0 60.4 1.0 CE2 B:PHE110 4.0 69.0 1.0 C7 B:0YP201 4.1 61.7 1.0 C1 B:0YP201 4.2 61.6 1.0 C15 B:0YP201 4.3 64.6 1.0 CZ B:PHE110 4.6 69.6 1.0 C12 B:0YP201 4.6 65.2 1.0 CG2 C:THR128 5.0 86.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Human Hepatitis B Virus T = 4 Capsid, Adyw Strain, in Complex with the Phenylpropenamide Assembly Accelerator at-130 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br201 b:0.1 occ:1.00 BR1 C:0YP201 0.0 0.1 1.0 C9 C:0YP201 1.9 0.5 1.0 O03 C:0YP201 2.6 0.0 0.0 C10 C:0YP201 2.9 0.1 1.0 C2 C:0YP201 3.0 0.7 1.0 C11 C:0YP201 3.1 0.3 1.0 C02 C:0YP201 3.2 0.0 0.0 C8 C:0YP201 3.7 1.0 1.0 N1 C:0YP201 3.7 0.5 1.0 C3 C:0YP201 4.1 0.7 1.0 C7 C:0YP201 4.2 0.5 1.0 C15 C:0YP201 4.3 0.3 1.0 N2 C:0YP201 4.4 0.2 1.0 C1 C:0YP201 4.5 0.3 1.0 O1 C:0YP201 4.5 0.0 1.0 C12 C:0YP201 4.6 0.7 1.0

S.P.Katen, Z.Tan, S.R.Chirapu, M.G.Finn, A.Zlotnick. Assembly-Directed Antivirals Differentially Bind Quasiequivalent Pockets to Modify Hepatitis B Virus Capsid Tertiary and Quaternary Structure. Structure V. 21 1406 2013.
ISSN: ISSN 0969-2126
PubMed: 23871485
DOI: 10.1016/J.STR.2013.06.013