Bromine in PDB 7qtx: Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3

The structure of Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3, PDB code: 7qtx was solved by C.D.Suraweera, M.G.Hinds, M.Kvansakul, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.46 / 2.12
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.229, 48.529, 57.386, 90, 97.07, 90
R / Rfree (%)	21.8 / 25.7

The binding sites of Bromine atom in the Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3 (pdb code 7qtx). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3, PDB code: 7qtx:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:106.0 occ:1.00 HB2 A:HIS61 2.6 40.2 1.0 H A:HIS61 2.7 35.1 1.0 HA A:ARG59 3.0 49.0 1.0 HD2 A:HIS61 3.1 46.7 1.0 HB3 A:ARG59 3.3 49.5 1.0 CB A:HIS61 3.4 33.5 1.0 N A:HIS61 3.5 29.2 1.0 H A:PHE60 3.5 40.5 1.0 NH2 A:ARG59 3.6 43.9 1.0 CD2 A:HIS61 3.6 38.9 1.0 CA A:ARG59 3.6 40.9 1.0 HH21 A:ARG59 3.7 52.6 1.0 CZ A:ARG59 3.7 44.1 1.0 HH22 A:ARG59 3.8 52.6 1.0 N A:PHE60 3.8 33.8 1.0 CG A:HIS61 3.8 36.7 1.0 HG2 A:ARG59 3.8 52.0 1.0 CB A:ARG59 3.8 41.3 1.0 C A:ARG59 3.9 37.4 1.0 NE A:ARG59 4.0 44.0 1.0 CA A:HIS61 4.0 30.3 1.0 HE A:ARG59 4.0 52.7 1.0 NH1 A:ARG59 4.1 45.5 1.0 HB3 A:HIS61 4.2 40.2 1.0 CG A:ARG59 4.3 43.4 1.0 HH12 A:ARG59 4.3 54.6 1.0 O A:HOH323 4.5 45.0 1.0 HH11 A:ARG59 4.5 54.6 1.0 C A:PHE60 4.6 28.3 1.0 O A:HIS61 4.6 28.9 1.0 C A:HIS61 4.6 28.9 1.0 O A:ARG59 4.7 37.4 1.0 HB2 A:ARG59 4.7 49.5 1.0 CD A:ARG59 4.8 44.4 1.0 CA A:PHE60 4.8 31.5 1.0 HA A:HIS61 4.9 36.4 1.0 NE2 A:HIS61 4.9 41.5 1.0 O A:VAL58 4.9 46.4 1.0 N A:ARG59 5.0 43.2 1.0

Bromine binding site 2 out of 3 in the Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:48.0 occ:1.00 HB3 A:GLU104 2.7 42.1 1.0 H A:HIS106 2.8 32.9 1.0 HB2 A:HIS106 3.0 36.9 1.0 H A:LEU107 3.2 33.6 1.0 HG A:LEU107 3.3 35.8 1.0 HA A:GLU104 3.3 42.3 1.0 CB A:GLU104 3.5 35.1 1.0 N A:HIS106 3.5 27.4 1.0 C A:GLU104 3.5 33.2 1.0 HD2 A:PRO105 3.6 42.5 1.0 CA A:GLU104 3.6 35.2 1.0 N A:PRO105 3.8 33.9 1.0 CB A:HIS106 3.8 30.8 1.0 ND1 A:HIS106 3.8 35.6 1.0 O A:GLU104 3.9 31.1 1.0 HG2 A:GLU104 3.9 44.4 1.0 N A:LEU107 4.0 28.1 1.0 CA A:HIS106 4.2 28.5 1.0 HB2 A:GLU104 4.2 42.1 1.0 CD A:PRO105 4.2 35.4 1.0 CG A:LEU107 4.2 29.9 1.0 CG A:GLU104 4.3 37.0 1.0 CG A:HIS106 4.3 35.3 1.0 HD12 A:LEU107 4.4 37.2 1.0 HB2 A:LEU107 4.4 35.3 1.0 C A:PRO105 4.4 29.7 1.0 C A:HIS106 4.6 27.2 1.0 HB3 A:HIS106 4.6 36.9 1.0 CA A:PRO105 4.6 31.9 1.0 CD1 A:LEU107 4.7 31.1 1.0 HB2 A:PRO105 4.7 40.2 1.0 HD11 A:LEU107 4.7 37.2 1.0 CB A:LEU107 4.8 29.4 1.0 HD3 A:PRO105 4.8 42.5 1.0 O A:HOH369 5.0 40.3 1.0 HG3 A:GLU104 5.0 44.4 1.0

Bromine binding site 3 out of 3 in the Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Kaposi Sarcoma Associated Herpes Virus (Kshv) Encoded Apoptosis Inhibitor, Ksbcl-2 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:115.2 occ:1.00 HG2 A:LYS138 2.8 55.9 1.0 HE2 A:LYS138 3.0 66.0 1.0 HA A:ALA139 3.1 40.4 1.0 HG21 A:THR142 3.1 59.7 1.0 HD3 A:LYS138 3.3 61.1 1.0 CG A:LYS138 3.6 46.6 1.0 HG23 A:THR142 3.7 59.7 1.0 CD A:LYS138 3.7 50.9 1.0 CE A:LYS138 3.8 55.0 1.0 CA A:ALA139 3.8 33.7 1.0 N A:ALA139 3.8 34.5 1.0 CG2 A:THR142 3.8 49.7 1.0 HB2 A:ALA139 3.9 38.4 1.0 HB3 A:LYS138 3.9 49.6 1.0 H A:ALA139 4.0 41.3 1.0 O A:HOH353 4.0 50.2 1.0 HG1 A:THR142 4.1 60.9 1.0 C A:LYS138 4.1 36.4 1.0 OG1 A:THR142 4.2 50.8 1.0 O A:LYS138 4.3 37.1 1.0 CB A:LYS138 4.3 41.3 1.0 HZ3 A:LYS138 4.3 69.7 1.0 CB A:ALA139 4.3 32.0 1.0 HG3 A:LYS138 4.4 55.9 1.0 HE3 A:LYS138 4.5 66.0 1.0 HG22 A:THR142 4.5 59.7 1.0 NZ A:LYS138 4.6 58.1 1.0 CB A:THR142 4.6 49.2 1.0 HD2 A:LYS138 4.7 61.1 1.0 HB1 A:ALA139 4.7 38.4 1.0 CA A:LYS138 4.9 36.8 1.0 HZ1 A:LYS138 5.0 69.7 1.0

C.D.Suraweera, M.G.Hinds, M.Kvansakul. Structural Insight Into Ksbcl-2 Mediated Apoptosis Inhibition By Kaposi Sarcoma Associated Herpes Virus. Viruses V. 14 2022.
ISSN: ESSN 1999-4915
PubMed: 35458468
DOI: 10.3390/V14040738