Bromine in PDB 2pn4: Crystal Structure of Hepatitis C Virus Ires Subdomain Iia

The structure of Crystal Structure of Hepatitis C Virus Ires Subdomain Iia, PDB code: 2pn4 was solved by Q.Zhao, Q.Han, C.R.Kissinger, P.A.Thompson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.98 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.286, 48.730, 119.999, 90.00, 90.00, 90.00
R / Rfree (%)	26.1 / 32

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

Strontium

(Sr)

10 atoms

The binding sites of Bromine atom in the Crystal Structure of Hepatitis C Virus Ires Subdomain Iia (pdb code 2pn4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Hepatitis C Virus Ires Subdomain Iia, PDB code: 2pn4:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 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:69.1 occ:1.00 BR B:5BU101 0.0 69.1 1.0 C5 B:5BU101 1.9 69.2 1.0 C6 B:5BU101 2.8 69.3 1.0 C4 B:5BU101 2.9 69.1 1.0 O4 B:5BU101 3.1 68.8 1.0 C8 B:G100 3.7 58.6 1.0 N7 B:G100 3.7 58.6 1.0 OP2 B:5BU101 3.7 70.2 1.0 C5 B:G100 3.8 58.8 1.0 N9 B:G100 3.8 59.2 1.0 C3' B:G100 3.9 66.3 1.0 C4 B:G100 3.9 58.3 1.0 N3 B:5BU101 4.1 69.7 1.0 N1 B:5BU101 4.1 70.8 1.0 C2' B:G100 4.4 64.3 1.0 C6 B:G100 4.5 58.8 1.0 N7 B:G102 4.5 66.0 1.0 O5' B:5BU101 4.5 73.2 1.0 C1' B:G100 4.6 61.0 1.0 O A:HOH1033 4.6 38.8 1.0 P B:5BU101 4.6 73.2 1.0 OP2 B:G100 4.6 67.3 1.0 N3 B:G100 4.6 57.9 1.0 O3' B:G100 4.7 69.8 1.0 C2 B:5BU101 4.7 70.2 1.0 C4' B:G100 4.8 65.3 1.0 O4' B:G100 4.8 64.0 1.0 C8 B:G102 4.9 66.5 1.0 C5' B:G100 4.9 65.5 1.0

Bromine binding site 2 out of 4 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:50.3 occ:1.00 BR B:5BU113 0.0 50.3 1.0 C5 B:5BU113 1.9 45.0 1.0 C6 B:5BU113 2.7 44.0 1.0 C4 B:5BU113 2.8 44.4 1.0 O4 B:5BU113 3.1 42.7 1.0 C4 B:C112 3.7 38.3 1.0 O B:HOH132 3.7 42.6 1.0 C5 B:C112 3.7 38.3 1.0 OP2 B:5BU113 3.7 42.2 1.0 N3 B:C112 3.8 35.6 1.0 C6 B:C112 3.8 39.1 1.0 C2 B:C112 3.8 38.5 1.0 N1 B:C112 3.8 40.0 1.0 O B:HOH124 3.9 52.5 1.0 N1 B:5BU113 4.0 45.1 1.0 C3' B:C112 4.1 41.5 1.0 N3 B:5BU113 4.1 44.9 1.0 C2' B:C112 4.2 41.4 1.0 N4 B:C112 4.3 37.0 1.0 O5' B:5BU113 4.4 40.3 1.0 O2 B:C112 4.5 37.2 1.0 P B:5BU113 4.6 40.0 1.0 N4 B:C114 4.6 37.1 1.0 C1' B:C112 4.6 39.9 1.0 C2 B:5BU113 4.6 46.1 1.0 C5 B:C114 4.7 39.3 1.0 O3' B:C112 4.7 42.7 1.0 O5' B:C112 5.0 44.9 1.0

Bromine binding site 3 out of 4 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 3 of Crystal Structure of Hepatitis C Virus Ires Subdomain Iia within 5.0Å range: probe atom residue distance (Å) B Occ D:Br101 b:71.9 occ:1.00 BR D:5BU101 0.0 71.9 1.0 C5 D:5BU101 1.9 72.8 1.0 C6 D:5BU101 2.8 72.7 1.0 C4 D:5BU101 2.9 72.4 1.0 O4 D:5BU101 3.2 71.6 1.0 N7 D:G100 3.5 62.4 1.0 C5 D:G100 3.6 62.5 1.0 C8 D:G100 3.6 62.4 1.0 C4 D:G100 3.9 62.3 1.0 N9 D:G100 3.9 62.5 1.0 OP2 D:5BU101 4.1 66.1 1.0 N3 D:5BU101 4.1 72.8 1.0 N1 D:5BU101 4.2 73.8 1.0 C6 D:G100 4.2 62.7 1.0 C3' D:G100 4.3 65.3 1.0 O D:HOH123 4.5 40.7 1.0 OP2 D:G100 4.6 67.8 1.0 O5' D:5BU101 4.6 69.6 1.0 C2' D:G100 4.6 64.0 1.0 N3 D:G100 4.6 62.2 1.0 O6 D:G100 4.6 62.5 1.0 C2 D:5BU101 4.7 73.2 1.0 C1' D:G100 4.7 63.3 1.0 N7 D:G102 4.8 70.5 1.0 N1 D:G100 4.8 62.3 1.0 P D:5BU101 4.9 68.6 1.0

Bromine binding site 4 out of 4 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 4 of Crystal Structure of Hepatitis C Virus Ires Subdomain Iia within 5.0Å range: probe atom residue distance (Å) B Occ D:Br113 b:48.5 occ:1.00 BR D:5BU113 0.0 48.5 1.0 C5 D:5BU113 1.9 43.3 1.0 C6 D:5BU113 2.8 43.0 1.0 C4 D:5BU113 2.9 39.9 1.0 O4 D:5BU113 3.1 40.1 1.0 O D:HOH126 3.5 40.8 1.0 C5 D:C112 3.6 38.6 1.0 C6 D:C112 3.7 39.1 1.0 C4 D:C112 3.7 39.1 1.0 N1 D:C112 3.8 39.4 1.0 OP2 D:5BU113 3.8 39.1 1.0 N3 D:C112 3.8 35.8 1.0 C2 D:C112 3.8 39.3 1.0 O D:HOH125 3.8 35.3 1.0 C3' D:C112 4.0 42.2 1.0 O D:HOH129 4.0 45.0 1.0 N3 D:5BU113 4.1 40.7 1.0 N1 D:5BU113 4.1 43.9 1.0 C2' D:C112 4.2 42.6 1.0 N4 D:C112 4.3 36.0 1.0 O5' D:5BU113 4.5 37.9 1.0 O2 D:C112 4.5 37.5 1.0 C1' D:C112 4.6 41.2 1.0 N4 D:C114 4.6 33.6 1.0 P D:5BU113 4.6 37.5 1.0 C2 D:5BU113 4.7 44.1 1.0 O3' D:C112 4.7 41.2 1.0 C5 D:C114 4.8 36.5 1.0 O5' D:C112 4.9 43.9 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