Bromine in PDB 6dv1: Crystal Structure of the Alpha-E-Catenin Actin-Binding Domain

The structure of Crystal Structure of the Alpha-E-Catenin Actin-Binding Domain, PDB code: 6dv1 was solved by N.Ishiyama, M.Ikura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.15 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.292, 80.607, 104.488, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25.2

The binding sites of Bromine atom in the Crystal Structure of the Alpha-E-Catenin Actin-Binding Domain (pdb code 6dv1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Crystal Structure of the Alpha-E-Catenin Actin-Binding Domain, PDB code: 6dv1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Crystal Structure of the Alpha-E-Catenin Actin-Binding 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 the Alpha-E-Catenin Actin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1001 b:43.2 occ:1.00 O A:HOH1147 3.4 47.8 1.0 NZ A:LYS683 3.4 56.3 1.0 CG A:GLN680 3.9 34.9 1.0 CD A:LYS683 4.0 41.1 1.0 CG A:GLU679 4.0 38.0 1.0 CD A:GLU679 4.0 45.2 1.0 OE1 A:GLU679 4.1 42.3 1.0 CE A:LYS683 4.1 39.7 1.0 CG1 A:VAL812 4.2 34.0 1.0 OE2 A:GLU679 4.6 41.6 1.0 CA A:GLN680 4.7 37.1 1.0 N A:GLN680 4.7 35.1 1.0 CB A:GLU679 4.8 34.7 1.0 CD A:GLN680 4.8 36.9 1.0 CB A:VAL812 4.9 37.9 1.0 CB A:GLN680 4.9 33.3 1.0 C A:GLU679 4.9 40.9 1.0

Bromine binding site 2 out of 5 in the Crystal Structure of the Alpha-E-Catenin Actin-Binding 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 the Alpha-E-Catenin Actin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1002 b:96.0 occ:1.00 ND1 A:HIS766 3.4 86.7 1.0 CG2 A:THR762 3.9 58.6 1.0 CA A:PRO855 4.1 77.5 1.0 CA A:ILE763 4.1 52.0 1.0 O A:THR762 4.2 61.5 1.0 N A:ILE763 4.2 47.4 1.0 CE2 A:TYR843 4.3 84.2 1.0 CG1 A:ILE763 4.3 46.9 1.0 CE1 A:HIS766 4.3 85.8 1.0 CG A:HIS766 4.3 78.2 1.0 C A:THR762 4.3 56.5 1.0 CB A:HIS766 4.4 67.3 1.0 CB A:PRO855 4.5 72.1 1.0 N A:ALA856 4.5 69.7 1.0 CD2 A:TYR843 4.5 76.3 1.0 CB A:ILE763 4.8 48.9 1.0 C A:PRO855 4.8 72.6 1.0 CB A:THR762 4.9 43.7 1.0 CG A:PRO855 4.9 73.6 1.0 CZ A:TYR843 4.9 91.7 1.0 N A:PRO855 5.0 72.7 1.0

Bromine binding site 3 out of 5 in the Crystal Structure of the Alpha-E-Catenin Actin-Binding 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 the Alpha-E-Catenin Actin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1001 b:88.4 occ:1.00 O B:HOH1134 3.0 59.4 1.0 O B:HOH1105 3.3 51.2 1.0 NH2 B:ARG670 3.4 54.6 1.0 OG B:SER668 3.5 42.8 1.0 OG B:SER652 3.9 59.8 1.0 CB B:ALA671 4.0 48.1 1.0 NE B:ARG670 4.1 51.9 1.0 CZ B:ARG670 4.2 50.4 1.0 CB B:SER652 4.2 60.9 1.0 CE B:LYS737 4.3 55.4 1.0 CG B:LYS737 4.5 53.0 1.0 N B:ALA671 4.5 44.5 1.0 CB B:SER668 4.6 47.7 1.0 O B:HOH1127 4.6 56.2 1.0 CA B:ALA671 4.6 43.1 1.0 OE2 B:GLU650 4.7 76.4 1.0 CD B:LYS737 4.9 56.8 1.0

Bromine binding site 4 out of 5 in the Crystal Structure of the Alpha-E-Catenin Actin-Binding 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 the Alpha-E-Catenin Actin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1002 b:0.8 occ:1.00 OE1 B:GLN692 3.4 72.9 1.0 OG1 B:THR727 3.5 48.6 1.0 CG B:MET724 3.7 56.2 1.0 CD B:GLN692 3.8 73.5 1.0 NE2 B:GLN692 3.9 72.6 1.0 CE2 B:PHE691 4.0 40.5 1.0 SD B:MET724 4.1 81.6 1.0 CB B:MET724 4.1 46.9 1.0 OD1 B:ASP728 4.3 53.1 1.0 CA B:MET724 4.5 46.9 1.0 CD2 B:PHE691 4.5 38.5 1.0 O B:MET724 4.7 38.0 1.0 CB B:THR727 4.8 46.5 1.0 CG B:GLN692 4.9 60.8 1.0

Bromine binding site 5 out of 5 in the Crystal Structure of the Alpha-E-Catenin Actin-Binding 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 the Alpha-E-Catenin Actin-Binding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1003 b:0.1 occ:1.00 O B:HOH1118 3.9 65.4 1.0 CA B:GLY805 4.0 49.5 1.0 C B:GLY805 4.5 49.2 1.0 O B:GLY805 4.7 48.1 1.0 N B:GLY805 4.8 48.5 1.0

N.Ishiyama, R.Sarpal, M.N.Wood, S.K.Barrick, T.Nishikawa, H.Hayashi, A.B.Kobb, A.S.Flozak, A.Yemelyanov, R.Fernandez-Gonzalez, S.Yonemura, D.E.Leckband, C.J.Gottardi, U.Tepass, M.Ikura. Force-Dependent Allostery of the Alpha-Catenin Actin-Binding Domain Controls Adherens Junction Dynamics and Functions. Nat Commun V. 9 5121 2018.
ISSN: ESSN 2041-1723
PubMed: 30504777
DOI: 10.1038/S41467-018-07481-7