Chlorine in PDB 5wtw: Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group

The structure of Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group, PDB code: 5wtw 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)	32.51 / 2.62
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.270, 79.270, 163.140, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.8

The binding sites of Chlorine atom in the Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group (pdb code 5wtw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group, PDB code: 5wtw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:0.9 occ:1.00 NH1 A:ARG127 2.6 94.7 1.0 CZ A:ARG127 3.9 83.1 1.0 CD A:ARG127 4.3 63.6 1.0 NE A:ARG127 4.6 68.6 1.0 NH2 A:ARG127 4.8 86.0 1.0

Chlorine binding site 2 out of 3 in the Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:0.1 occ:1.00 NH1 B:ARG127 2.8 98.7 1.0 CZ B:PHE18 4.0 0.8 1.0 CZ B:ARG127 4.1 98.8 1.0 CE2 B:PHE18 4.1 0.1 1.0 CD B:ARG127 4.3 88.9 1.0 NE B:ARG127 4.6 95.6 1.0

Chlorine binding site 3 out of 3 in the Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hepatitis B Virus Core Protein Y132A Mutant in P 41 21 2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:0.3 occ:1.00 CB B:SER26 3.5 99.4 1.0 N B:ARG28 3.8 90.2 1.0 OG B:SER26 3.8 99.4 1.0 N B:VAL27 3.9 89.7 1.0 CB B:ARG28 4.1 89.5 1.0 CG B:ARG28 4.2 95.5 1.0 CA B:SER26 4.4 93.7 1.0 C B:SER26 4.5 89.5 1.0 CB B:VAL27 4.6 70.9 1.0 CA B:ARG28 4.6 89.1 1.0 CA B:VAL27 4.6 82.5 1.0 CD B:ARG28 4.6 94.1 1.0 C B:VAL27 4.7 90.2 1.0

Z.Zhou, T.Hu, X.Zhou, S.Wildum, F.Garcia-Alcalde, Z.H.Xu, D.Wu, Y.Mao, X.Tian, Y.Zhou, F.Shen, Z.Zhang, G.Tang, I.Najera, G.Yang, H.C.Shen, J.A.T.Young, N.Qin. Heteroaryldihydropyrimidine (Hap) and Sulfamoylbenzamide (Sba) Inhibit Hepatitis B Virus Replication By Different Molecular Mechanisms Sci Rep V. 7 42374 2017.
ISSN: ESSN 2045-2322
DOI: 10.1038/SREP42374