Bromine in PDB 3ggq: Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction

The structure of Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction, PDB code: 3ggq was solved by S.W.Li, X.H.Tang, J.Seetharaman, C.Y.Yang, Y.Gu, J.Zhang, H.L.Du, J.W.K.Shih, C.L.Hew, J.Sivaraman, N.S.Xia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.00
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	111.448, 111.448, 84.333, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 24

The binding sites of Bromine atom in the Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction (pdb code 3ggq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction, PDB code: 3ggq:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br101 b:41.7 occ:1.00 NE2 A:HIS532 2.5 38.6 1.0 O A:HOH802 2.9 67.9 1.0 CE1 A:HIS532 3.1 36.9 1.0 O A:SER483 3.6 28.4 1.0 CD2 A:HIS532 3.7 36.5 1.0 O A:HOH864 4.2 43.7 1.0 ND1 A:HIS532 4.3 37.5 1.0 CG A:HIS532 4.6 36.5 1.0 C A:SER483 4.8 25.9 1.0

Bromine binding site 2 out of 3 in the Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br102 b:36.9 occ:1.00 O A:HOH893 3.9 55.6 1.0 NH1 A:ARG542 4.1 30.0 1.0 OD1 A:ASN468 4.1 32.4 1.0 CZ A:ARG542 4.3 30.4 1.0 NE A:ARG542 4.4 27.7 1.0 CD A:ARG542 4.5 25.5 1.0 NH2 A:ARG542 4.8 32.6 1.0

Bromine binding site 3 out of 3 in the Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction within 5.0Å range: probe atom residue distance (Å) B Occ A:Br103 b:49.0 occ:1.00 N A:SER533 3.3 33.1 1.0 CG A:GLN530 3.6 36.2 1.0 NE2 A:GLN530 3.6 36.2 1.0 N A:HIS532 3.9 32.6 1.0 CA A:SER533 3.9 34.3 1.0 CD A:GLN530 4.1 38.3 1.0 O A:HOH855 4.2 72.5 1.0 C A:HIS532 4.3 33.2 1.0 CA A:HIS532 4.4 33.1 1.0 C A:GLN531 4.4 32.5 1.0 O A:GLN530 4.5 32.5 1.0 CB A:GLN530 4.5 33.8 1.0 C A:GLN530 4.5 32.1 1.0 N A:GLN531 4.6 32.9 1.0 O A:HOH700 4.6 6.6 1.0 CA A:GLN531 4.6 33.0 1.0 OG A:SER533 4.6 37.6 1.0 CB A:SER533 4.9 35.3 1.0

S.Li, X.Tang, J.Seetharaman, C.Yang, Y.Gu, J.Zhang, H.Du, J.W.Shih, C.L.Hew, J.Sivaraman, N.Xia. Dimerization of Hepatitis E Virus Capsid Protein E2S Domain Is Essential For Virus-Host Interaction Plos Pathog. V. 5 00537 2009.
ISSN: ISSN 1553-7366
PubMed: 19662165
DOI: 10.1371/JOURNAL.PPAT.1000537