Bromine in PDB 2pn3: Crystal Structure of Hepatitis C Virus Ires Subdomain Iia

The structure of Crystal Structure of Hepatitis C Virus Ires Subdomain Iia, PDB code: 2pn3 was solved by Q.Zhao, Q.Han, C.R.Kissinger, T.Hermann, P.A.Thompson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 2.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.945, 48.945, 120.942, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 28.3

The structure of Crystal Structure of Hepatitis C Virus Ires Subdomain Iia also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of Hepatitis C Virus Ires Subdomain Iia (pdb code 2pn3). 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 Hepatitis C Virus Ires Subdomain Iia, PDB code: 2pn3:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Hepatitis C Virus Ires Subdomain Iia


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 Hepatitis C Virus Ires Subdomain Iia within 5.0Å range: probe atom residue distance (Å) B Occ B:Br101 b:84.1 occ:1.00 BR B:5BU101 0.0 84.1 1.0 C5 B:5BU101 1.9 82.1 1.0 C6 B:5BU101 2.8 81.6 1.0 C4 B:5BU101 2.9 81.9 1.0 O4 B:5BU101 3.1 81.9 1.0 N7 B:G100 3.4 63.3 1.0 C5 B:G100 3.7 63.4 1.0 C8 B:G100 3.7 63.8 1.0 N3 B:5BU101 4.1 82.2 1.0 N1 B:5BU101 4.1 81.9 1.0 C4 B:G100 4.1 63.7 1.0 N9 B:G100 4.1 64.1 1.0 C6 B:G100 4.2 63.6 1.0 OP2 B:5BU101 4.3 71.1 1.0 C3' B:G100 4.4 67.0 1.0 O6 B:G100 4.5 64.2 1.0 C2 B:5BU101 4.7 82.3 1.0 N7 B:G102 4.7 76.8 1.0 C5' B:G100 4.8 66.4 1.0 O5' B:5BU101 4.8 72.4 1.0 N3 B:G100 5.0 63.8 1.0 N1 B:G100 5.0 63.6 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Hepatitis C Virus Ires Subdomain Iia


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 Hepatitis C Virus Ires Subdomain Iia within 5.0Å range: probe atom residue distance (Å) B Occ B:Br113 b:47.4 occ:1.00 BR B:5BU113 0.0 47.4 1.0 C5 B:5BU113 1.9 43.2 1.0 C6 B:5BU113 2.8 42.0 1.0 C4 B:5BU113 2.9 42.0 1.0 O4 B:5BU113 3.2 41.5 1.0 C4 B:C112 3.5 24.4 1.0 N3 B:C112 3.6 25.4 1.0 C5 B:C112 3.7 24.2 1.0 C2 B:C112 3.7 24.3 1.0 C6 B:C112 3.7 23.6 1.0 N1 B:C112 3.8 23.1 1.0 OP2 B:5BU113 4.0 24.3 1.0 C2' B:C112 4.1 23.0 1.0 N1 B:5BU113 4.1 41.3 1.0 N3 B:5BU113 4.1 43.4 1.0 N4 B:C112 4.2 24.7 1.0 C3' B:C112 4.2 22.0 1.0 O2 B:C112 4.3 25.1 1.0 O5' B:5BU113 4.3 23.7 1.0 C1' B:C112 4.5 23.6 1.0 C2 B:5BU113 4.7 43.6 1.0 P B:5BU113 4.7 23.3 1.0 N4 B:C114 4.7 24.0 1.0 C5 B:C114 4.9 22.8 1.0 O4' B:5BU113 4.9 33.6 1.0 O3' B:C112 5.0 22.2 1.0

Q.Zhao, Q.Han, C.R.Kissinger, T.Hermann, P.A.Thompson. Structure of Hepatitis C Virus Ires Subdomain Iia. Acta Crystallogr.,Sect.D V. 64 436 2008.
ISSN: ISSN 0907-4449
PubMed: 18391410
DOI: 10.1107/S0907444908002011