Arsenic in PDB 4u2v: Bak BH3-in-Groove Dimer (Gfp)

The structure of Bak BH3-in-Groove Dimer (Gfp), PDB code: 4u2v was solved by J.M.Brouwer, P.M.Colman, P.E.Czabotar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	109.190, 63.840, 122.020, 90.00, 98.35, 90.00
R / Rfree (%)	19.8 / 25

The binding sites of Arsenic atom in the Bak BH3-in-Groove Dimer (Gfp) (pdb code 4u2v). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the Bak BH3-in-Groove Dimer (Gfp), PDB code: 4u2v:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in the Bak BH3-in-Groove Dimer (Gfp)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bak BH3-in-Groove Dimer (Gfp) within 5.0Å range: probe atom residue distance (Å) B Occ B:As1201 b:0.3 occ:1.00 AS B:CAC1201 0.0 0.3 1.0 O1 B:CAC1201 1.7 53.3 1.0 O2 B:CAC1201 1.7 86.0 1.0 C1 B:CAC1201 2.0 43.0 1.0 C2 B:CAC1201 2.0 0.6 1.0 O B:PHE1119 3.7 66.5 1.0 O D:HOH1315 4.5 42.4 1.0 OH A:TYR1136 4.5 61.3 1.0 N D:TRP1125 4.7 52.7 1.0 C B:PHE1119 4.8 55.1 1.0 CA D:ASN1124 4.8 45.4 1.0 C D:ASN1124 4.8 55.9 1.0 CA B:GLY1122 4.8 51.6 1.0 CD1 A:LEU1140 4.9 84.6 1.0 CA B:GLU1120 4.9 62.3 1.0 CG1 B:ILE1123 4.9 59.0 1.0 O D:ILE1123 5.0 45.5 1.0 CG2 D:ILE1123 5.0 41.4 1.0 CD1 B:ILE1123 5.0 60.9 1.0

Arsenic binding site 2 out of 6 in the Bak BH3-in-Groove Dimer (Gfp)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Bak BH3-in-Groove Dimer (Gfp) within 5.0Å range: probe atom residue distance (Å) B Occ D:As1201 b:0.9 occ:1.00 AS D:CAC1201 0.0 0.9 1.0 O2 D:CAC1201 1.7 92.1 1.0 O1 D:CAC1201 1.7 70.5 1.0 C2 D:CAC1201 2.0 57.8 1.0 C1 D:CAC1201 2.0 62.6 1.0 O D:PHE1119 3.6 76.7 1.0 N B:TRP1125 4.6 44.3 1.0 CD1 C:LEU1140 4.6 78.4 1.0 O D:GLU1120 4.6 58.1 1.0 OH C:TYR1136 4.7 67.5 1.0 C D:PHE1119 4.8 64.5 1.0 CA B:ASN1124 4.8 46.0 1.0 CA D:GLU1120 4.8 69.6 1.0 C B:ASN1124 4.8 46.8 1.0 C D:GLU1120 4.8 53.8 1.0 CA D:GLY1122 4.9 50.1 1.0 N D:GLY1122 5.0 52.7 1.0

Arsenic binding site 3 out of 6 in the Bak BH3-in-Groove Dimer (Gfp)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Bak BH3-in-Groove Dimer (Gfp) within 5.0Å range: probe atom residue distance (Å) B Occ D:As1202 b:0.5 occ:1.00 AS D:CAC1202 0.0 0.5 1.0 O1 D:CAC1202 1.7 84.1 1.0 O2 D:CAC1202 1.7 64.0 1.0 C2 D:CAC1202 2.0 92.0 1.0 C1 D:CAC1202 2.0 0.8 1.0 OH D:TYR1136 4.2 54.4 1.0 CD1 D:LEU1140 4.5 51.2 1.0 N A:TRP1125 4.6 50.6 1.0 C A:ASN1124 4.8 39.6 1.0 CA A:ASN1124 4.9 33.5 1.0

Arsenic binding site 4 out of 6 in the Bak BH3-in-Groove Dimer (Gfp)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Bak BH3-in-Groove Dimer (Gfp) within 5.0Å range: probe atom residue distance (Å) B Occ D:As1203 b:0.5 occ:1.00 AS D:CAC1203 0.0 0.5 1.0 O1 D:CAC1203 1.7 0.7 1.0 O2 D:CAC1203 1.7 78.1 1.0 C2 D:CAC1203 2.0 0.9 1.0 C1 D:CAC1203 2.0 78.5 1.0 ND2 D:ASN1124 4.5 42.1 1.0 O D:ILE1123 4.8 45.5 1.0 O D:SER1121 4.8 56.2 1.0 CA D:GLY1122 4.9 50.1 1.0 ND2 B:ASN1124 4.9 39.1 1.0 N D:ILE1123 5.0 43.4 1.0

Arsenic binding site 5 out of 6 in the Bak BH3-in-Groove Dimer (Gfp)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Bak BH3-in-Groove Dimer (Gfp) within 5.0Å range: probe atom residue distance (Å) B Occ A:As1201 b:0.7 occ:1.00 AS A:CAC1201 0.0 0.7 1.0 O1 A:CAC1201 1.7 91.4 1.0 O2 A:CAC1201 1.7 88.2 1.0 C1 A:CAC1201 2.0 0.4 1.0 C2 A:CAC1201 2.0 0.3 1.0 O A:PHE1119 3.9 61.5 1.0 O A:GLU1120 4.3 69.7 1.0 C A:GLU1120 4.7 58.6 1.0 CA A:GLU1120 4.9 63.4 1.0 N A:GLY1122 4.9 52.3 1.0 CA A:GLY1122 5.0 53.0 1.0

Arsenic binding site 6 out of 6 in the Bak BH3-in-Groove Dimer (Gfp)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Bak BH3-in-Groove Dimer (Gfp) within 5.0Å range: probe atom residue distance (Å) B Occ A:As1202 b:0.2 occ:1.00 AS A:CAC1202 0.0 0.2 1.0 O2 A:CAC1202 1.7 57.1 1.0 O1 A:CAC1202 1.7 60.7 1.0 C2 A:CAC1202 2.0 0.3 1.0 C1 A:CAC1202 2.0 0.0 1.0 O A:ILE1123 4.1 42.9 1.0 ND2 A:ASN1124 4.3 45.0 1.0 CB A:ASN1124 4.5 34.4 1.0 C A:ILE1123 4.6 48.0 1.0 N A:ILE1123 4.7 49.5 1.0 CG A:ASN1124 4.8 43.1 1.0

J.M.Brouwer, D.Westphal, G.Dewson, A.Y.Robin, R.T.Uren, R.Bartolo, G.V.Thompson, P.M.Colman, R.M.Kluck, P.E.Czabotar. Bak Core and Latch Domains Separate During Activation, and Freed Core Domains Form Symmetric Homodimers. Mol.Cell V. 55 938 2014.
ISSN: ISSN 1097-2765
PubMed: 25175025
DOI: 10.1016/J.MOLCEL.2014.07.016