Bromine in PDB 2wh6: Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain

The structure of Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain, PDB code: 2wh6 was solved by M.Kvansakul, D.C.S.Huang, P.M.Colman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.747, 62.747, 92.383, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 20.5

The binding sites of Bromine atom in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain (pdb code 2wh6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain, PDB code: 2wh6:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Bromine binding site 1 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


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 Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1159 b:27.5 occ:1.00 CG2 A:VAL79 3.4 27.4 1.0 N A:VAL79 3.5 22.4 1.0 CA A:HIS78 3.9 25.4 1.0 CE2 A:TYR124 4.0 25.3 1.0 CD1 A:LEU128 4.0 27.5 1.0 O A:GLU77 4.0 28.4 1.0 CB A:VAL79 4.0 25.2 1.0 N A:HIS78 4.2 25.9 1.0 C A:GLU77 4.2 27.3 1.0 C A:HIS78 4.3 23.2 1.0 CD2 A:TYR124 4.4 21.0 1.0 CA A:VAL79 4.4 22.8 1.0

Bromine binding site 2 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


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 Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1160 b:31.7 occ:1.00 OG A:SER41 3.3 25.7 1.0 CB A:SER41 3.6 20.5 1.0 CA A:SER41 4.0 21.8 1.0 CD A:PRO42 4.1 26.0 1.0 N A:PRO42 4.9 24.9 1.0 C A:SER41 5.0 22.5 1.0 N A:SER41 5.0 23.3 1.0

Bromine binding site 3 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


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 Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1161 b:24.3 occ:1.00 O A:HOH2035 3.2 41.7 1.0 OG A:SER62 3.2 24.4 1.0 CB A:SER62 3.8 22.7 1.0 CG2 A:ILE58 3.9 21.8 1.0 CA A:GLU59 4.1 19.4 1.0 CG A:GLU59 4.2 21.2 1.0 O A:HOH2070 4.2 25.5 1.0 O A:ILE58 4.3 21.1 1.0 CA A:SER62 4.4 20.4 1.0 N A:GLU59 4.5 19.4 1.0 C A:ILE58 4.5 20.1 1.0 CB A:GLU59 4.7 20.7 1.0 O1 A:GOL1169 4.7 33.9 1.0 OE2 A:GLU55 5.0 21.8 0.5

Bromine binding site 4 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


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 Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1162 b:24.9 occ:0.50 NE1 A:TRP69 3.3 21.5 1.0 O A:HOH2027 3.4 29.3 1.0 CD2 A:LEU115 3.5 27.5 1.0 CG2 A:THR114 3.8 24.1 1.0 O A:HOH2078 3.9 66.1 1.0 CG A:LEU115 4.2 21.1 1.0 CD1 A:TRP69 4.3 19.1 1.0 CA A:LEU115 4.3 20.7 1.0 CE2 A:TRP69 4.3 19.4 1.0 CG2 A:ILE73 4.3 23.4 1.0 N A:LEU115 4.4 19.4 1.0 C A:THR114 4.5 19.9 1.0 O A:THR114 4.5 21.1 1.0 CZ2 A:TRP69 4.6 18.5 1.0 OG1 A:THR121 4.6 31.1 1.0 CB A:THR114 4.6 21.6 1.0 CG1 A:ILE73 4.8 26.4 1.0 CB A:LEU115 4.8 20.0 1.0 CG2 A:THR121 4.9 27.0 1.0

Bromine binding site 5 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1163 b:43.5 occ:0.80 N A:TYR124 3.2 18.6 1.0 CD1 A:TYR124 3.5 21.4 1.0 CB A:TYR123 3.7 20.1 1.0 CB A:TYR124 3.7 19.1 1.0 N A:TYR123 3.8 20.6 1.0 O A:HOH2079 3.9 15.2 1.0 CA A:TYR124 4.0 17.8 1.0 CA A:TYR123 4.0 19.0 1.0 CG A:TYR124 4.1 19.7 1.0 C A:TYR123 4.1 19.0 1.0 CD2 A:TYR123 4.3 20.5 1.0 CB A:PRO122 4.5 23.6 1.0 C A:PRO122 4.5 23.1 1.0 CG A:TYR123 4.5 19.2 1.0 CE1 A:TYR124 4.6 22.6 1.0 CA A:PRO122 4.8 22.9 1.0

Bromine binding site 6 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1164 b:17.6 occ:0.50 NH1 A:ARG49 3.2 34.2 1.0 NH2 A:ARG49 3.6 27.4 1.0 CG A:GLU155 3.7 36.6 1.0 O A:HOH2029 3.7 25.8 1.0 CZ A:ARG49 3.8 33.1 1.0 CB A:GLU155 3.9 31.6 1.0 CA A:GLU155 4.1 31.6 1.0 O A:GLU155 4.2 31.9 1.0 C A:GLU155 4.7 32.9 1.0 CD A:GLU155 4.7 43.0 1.0 O A:HOH2095 4.8 12.3 1.0

Bromine binding site 7 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1165 b:16.6 occ:0.50 CD1 B:ILE56 3.2 37.0 1.0 O B:HOH2006 3.3 16.2 1.0 NH1 A:ARG93 3.3 31.7 1.0 OE1 B:GLN60 3.5 37.3 1.0 NH1 B:ARG63 3.5 26.9 1.0 NH2 A:ARG93 3.7 32.1 1.0 CZ A:ARG93 4.0 34.2 1.0 CG B:GLN60 4.0 33.7 1.0 CD B:GLN60 4.2 33.2 1.0 CZ B:ARG63 4.5 29.1 1.0 NH2 B:ARG63 4.6 30.0 1.0 CG1 B:ILE56 4.6 32.2 1.0

Bromine binding site 8 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1166 b:20.4 occ:0.50 NH1 A:ARG60 2.2 43.2 1.0 CZ A:ARG60 3.3 43.4 1.0 OD1 A:ASN61 3.3 26.9 1.0 CD A:ARG60 3.9 35.4 1.0 NE A:ARG60 4.0 44.3 1.0 NH2 A:ARG60 4.2 44.5 1.0 CG2 B:ILE65 4.2 30.9 1.0 O A:HOH2042 4.2 26.8 1.0 CG1 A:ILE57 4.2 20.7 1.0 CB A:ARG60 4.3 24.8 1.0 CG2 A:ILE57 4.4 19.9 1.0 CG A:ASN61 4.4 23.6 1.0 CA A:ILE57 4.4 19.4 1.0 CD1 B:PHE69 4.5 38.9 1.0 CB A:ILE57 4.6 19.5 1.0 ND2 A:ASN61 4.7 23.7 1.0 O B:ILE65 4.7 34.4 1.0 CB B:PHE69 4.7 43.3 1.0 CG A:ARG60 4.8 32.1 1.0 O A:ILE57 4.8 20.4 1.0

Bromine binding site 9 out of 9 in the Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Anti-Apoptotic BHRF1 in Complex with the Bim BH3 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1167 b:38.2 occ:0.50 CG A:PRO27 3.8 26.3 1.0 CD1 A:TYR123 3.8 19.2 1.0 O A:HOH2077 4.0 23.9 1.0 CE1 A:HIS26 4.1 19.6 1.0 NE2 A:HIS26 4.2 26.5 1.0 CD A:PRO27 4.2 23.2 1.0 CB A:TYR123 4.5 20.1 1.0 CE1 A:TYR123 4.6 19.9 1.0 CG A:TYR123 4.6 19.2 1.0 CB A:PRO27 4.9 22.3 1.0 ND1 A:HIS26 5.0 27.6 1.0

M.Kvansakul, A.H.Wei, J.I.Fletcher, S.N.Willis, L.Chen, A.W.Roberts, D.C.Huang, P.M.Colman. Structural Basis For Apoptosis Inhibition By Epstein-Barr Virus BHRF1. Plos Pathog. V. 6 01236 2010.
ISSN: ESSN 1553-7374
PubMed: 21203485
DOI: 10.1371/JOURNAL.PPAT.1001236