Chlorine in PDB 7p9w: Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3

The structure of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3, PDB code: 7p9w 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)	35.25 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.772, 62.772, 92.592, 90, 90, 120
R / Rfree (%)	22 / 25.7

The structure of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Chlorine atom in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 (pdb code 7p9w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3, PDB code: 7p9w:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl217 b:32.5 occ:1.00 HG A:SER62 2.6 43.0 1.0 HG22 A:ILE58 3.1 32.5 1.0 HB2 A:SER62 3.2 41.3 1.0 OG A:SER62 3.2 35.6 1.0 HA A:GLU59 3.2 35.4 1.0 HG2 A:GLU59 3.2 40.7 1.0 CB A:SER62 3.7 34.1 1.0 O A:HOH316 3.9 36.8 1.0 CG2 A:ILE58 4.0 26.9 1.0 HA A:SER62 4.0 40.6 1.0 CA A:GLU59 4.1 29.3 1.0 HG21 A:ILE58 4.1 32.5 1.0 CG A:GLU59 4.1 33.6 1.0 HG23 A:ILE58 4.3 32.5 1.0 HG3 A:GLU59 4.4 40.7 1.0 HB3 A:SER62 4.4 41.3 1.0 CA A:SER62 4.5 33.6 1.0 N A:GLU59 4.5 32.2 1.0 O A:ILE58 4.5 30.1 1.0 HH22 A:ARG113 4.6 39.8 1.0 CB A:GLU59 4.6 34.0 1.0 C A:ILE58 4.6 27.6 1.0 HB3 A:GLU59 4.8 41.1 1.0 HH21 A:ARG113 4.8 39.8 1.0 H A:GLU59 4.9 39.0 1.0 O A:HOH318 4.9 60.4 1.0

Chlorine binding site 2 out of 6 in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl218 b:72.9 occ:1.00 OG A:SER62 3.4 35.6 1.0 OG1 A:THR66 3.5 40.5 1.0 HG1 A:THR66 3.7 49.0 1.0 HG A:SER62 3.7 43.0 1.0 HA A:GLU63 3.8 37.7 1.0 OE1 A:GLU63 3.9 45.5 1.0 HG21 A:THR66 3.9 43.2 1.0 HB A:THR66 4.2 45.0 1.0 O A:SER62 4.3 31.1 1.0 CB A:THR66 4.3 37.3 1.0 O A:HOH318 4.4 60.4 1.0 C A:SER62 4.5 28.7 1.0 CB A:SER62 4.6 34.1 1.0 HB3 A:SER62 4.6 41.3 1.0 CA A:GLU63 4.6 31.2 1.0 CG2 A:THR66 4.6 35.8 1.0 N A:GLU63 4.7 30.9 1.0 HB2 A:GLU63 4.8 46.9 1.0

Chlorine binding site 3 out of 6 in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl219 b:36.0 occ:1.00 H A:VAL79 2.5 44.3 1.0 HG23 A:VAL79 2.9 45.8 1.0 HA A:HIS78 3.2 52.7 1.0 HD12 A:LEU128 3.3 44.4 1.0 N A:VAL79 3.4 36.6 1.0 O A:HOH347 3.4 41.0 1.0 HB A:VAL79 3.4 44.6 1.0 HE2 A:TYR124 3.6 48.8 1.0 HD13 A:LEU128 3.6 44.4 1.0 CG2 A:VAL79 3.7 37.9 1.0 O A:HOH344 3.7 61.0 1.0 O A:GLU77 3.8 42.4 1.0 CD1 A:LEU128 3.9 36.8 1.0 CA A:HIS78 3.9 43.7 1.0 HG21 A:VAL79 3.9 45.8 1.0 CB A:VAL79 3.9 36.9 1.0 C A:GLU77 4.1 44.5 1.0 N A:HIS78 4.1 41.5 1.0 HD2 A:TYR124 4.1 46.0 1.0 C A:HIS78 4.2 37.5 1.0 HD11 A:LEU128 4.2 44.4 1.0 CA A:VAL79 4.3 37.6 1.0 CE2 A:TYR124 4.4 40.4 1.0 HG22 A:VAL79 4.5 45.8 1.0 H A:HIS78 4.6 50.1 1.0 CD2 A:TYR124 4.7 38.1 1.0 HA A:VAL79 4.7 45.4 1.0 HB2 A:LEU128 4.8 36.6 1.0 HA A:GLU77 4.8 60.8 1.0 HG23 A:THR76 4.9 58.8 1.0 H A:ASP80 5.0 33.5 1.0

Chlorine binding site 4 out of 6 in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl220 b:39.6 occ:1.00 HD21 A:ASN61 2.7 39.8 1.0 HH11 A:ARG60 3.3 109.6 1.0 HD3 A:ARG60 3.4 85.5 1.0 HD2 A:ARG60 3.4 85.5 1.0 ND2 A:ASN61 3.4 32.9 1.0 HG12 A:ILE57 3.5 42.2 1.0 HA A:ILE57 3.5 35.9 1.0 HG23 A:ILE57 3.6 35.7 1.0 HD22 A:ASN61 3.7 39.8 1.0 HB2 A:ARG60 3.8 55.7 1.0 CD A:ARG60 3.9 71.0 1.0 HB3 A:ARG60 4.2 55.7 1.0 NH1 A:ARG60 4.2 91.1 1.0 O B:MET144 4.3 47.6 1.0 CB B:LEU148 4.3 47.8 1.0 CB A:ARG60 4.4 46.1 1.0 CG1 A:ILE57 4.4 34.9 1.0 HB2 B:ASP147 4.4 92.4 1.0 CA A:ILE57 4.4 29.7 1.0 CG2 A:ILE57 4.5 29.5 1.0 HA B:LEU148 4.5 70.4 1.0 CG A:ASN61 4.6 35.0 1.0 CD1 B:LEU148 4.6 47.3 1.0 H B:LEU148 4.6 74.1 1.0 HH12 A:ARG60 4.6 109.6 1.0 CB A:ILE57 4.7 31.5 1.0 N B:LEU148 4.7 61.5 1.0 CA B:LEU148 4.8 58.4 1.0 CG A:ARG60 4.8 58.8 1.0 HG13 A:ILE57 4.8 42.2 1.0 HB3 B:ASP147 4.8 92.4 1.0 OD1 A:ASN61 4.8 37.3 1.0 O B:HOH303 4.9 65.9 1.0 O A:ILE57 4.9 29.8 1.0 NE A:ARG60 4.9 82.3 1.0 CG B:LEU148 5.0 42.5 1.0 HG21 A:ILE57 5.0 35.7 1.0

Chlorine binding site 5 out of 6 in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl221 b:46.1 occ:1.00 HE1 A:HIS51 2.6 45.5 1.0 HE1 A:HIS20 2.9 47.8 1.0 HG2 A:GLU55 3.1 45.0 1.0 CE1 A:HIS51 3.5 37.7 1.0 CD A:GLU55 3.6 39.6 1.0 CE1 A:HIS20 3.6 39.6 1.0 CG A:GLU55 3.8 37.3 1.0 OE1 A:GLU55 3.8 39.3 1.0 OE2 A:GLU55 3.9 40.0 1.0 HB2 A:GLU55 3.9 41.2 1.0 HH12 A:ARG113 3.9 40.1 1.0 HG21 A:VAL19 4.1 53.3 1.0 NE2 A:HIS20 4.1 41.0 1.0 HG23 A:VAL19 4.2 53.3 1.0 NH1 A:ARG113 4.2 33.2 1.0 HH11 A:ARG113 4.3 40.1 1.0 O A:HOH313 4.3 48.1 1.0 ND1 A:HIS51 4.3 36.1 1.0 NE2 A:HIS51 4.4 34.4 1.0 HE2 A:HIS51 4.4 41.5 1.0 CB A:GLU55 4.4 34.1 1.0 HG3 A:GLU55 4.6 45.0 1.0 OD1 A:ASP16 4.6 33.2 1.0 CG2 A:VAL19 4.6 44.2 1.0 ND1 A:HIS20 4.7 42.3 1.0 HB3 A:GLU55 4.8 41.2 1.0 HD1 A:HIS20 4.9 51.1 1.0

Chlorine binding site 6 out of 6 in the Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Epstein-Barr Virus Encoded Apoptosis Regulator BHRF1 in Complex with Puma BH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl222 b:44.0 occ:1.00 HG A:SER151 2.7 60.7 1.0 H A:SER151 2.8 52.1 1.0 H A:TYR3 2.8 63.4 1.0 HD2 A:TYR3 3.1 85.5 1.0 N A:ALA2 3.2 70.6 1.0 HB2 A:SER151 3.2 58.9 1.0 OG A:SER151 3.4 50.4 1.0 O A:HOH304 3.4 46.9 1.0 H A:TRP150 3.5 50.2 1.0 HA3 A:GLY149 3.6 56.2 1.0 HB2 A:TYR3 3.6 65.5 1.0 N A:TYR3 3.6 52.6 1.0 N A:SER151 3.6 43.1 1.0 CB A:SER151 3.7 48.8 1.0 CD2 A:TYR3 3.9 71.0 1.0 N A:TRP150 3.9 41.6 1.0 HB2 A:TRP150 4.0 51.0 1.0 CA A:ALA2 4.2 64.0 1.0 HA A:ALA2 4.3 77.2 1.0 CB A:TYR3 4.3 54.3 1.0 CA A:GLY149 4.3 46.6 1.0 CA A:SER151 4.3 46.1 1.0 C A:GLY149 4.4 43.8 1.0 C A:ALA2 4.4 59.9 1.0 HA2 A:GLY149 4.5 56.2 1.0 CA A:TYR3 4.5 47.5 1.0 CG A:TYR3 4.5 65.7 1.0 O A:TYR3 4.5 39.8 1.0 HB3 A:SER151 4.6 58.9 1.0 C A:TRP150 4.6 42.6 1.0 CA A:TRP150 4.6 43.1 1.0 HE2 A:TYR3 4.7 93.2 1.0 CB A:TRP150 4.7 42.2 1.0 CE2 A:TYR3 4.8 77.4 1.0 H A:THR152 4.8 63.7 1.0 HD1 A:TRP150 4.9 47.0 1.0 HA A:SER151 4.9 55.7 1.0

C.D.Suraweera, M.G.Hinds, M.Kvansakul. Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides. Viruses V. 14 2022.
ISSN: ESSN 1999-4915
PubMed: 36298777
DOI: 10.3390/V14102222