Bromine in PDB 1p2x: Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe

The structure of Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe, PDB code: 1p2x was solved by C.-H.Wang, M.K.Balasubramanian, T.Dokland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.65 / 2.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.226, 68.836, 39.811, 90.00, 105.54, 90.00
R / Rfree (%)	20.6 / 26.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe (pdb code 1p2x). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 11 binding sites of Bromine where determined in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe, PDB code: 1p2x:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br191 b:0.1 occ:1.00 N A:LYS188 3.8 16.4 1.0 CA A:LYS188 3.8 19.9 1.0 NE A:ARG43 3.8 5.3 1.0 C A:PHE187 3.9 15.4 1.0 CB A:PHE187 3.9 12.2 1.0 CD A:ARG43 3.9 3.1 1.0 O A:PHE187 3.9 14.7 1.0 CZ A:ARG43 4.0 5.7 1.0 NH1 A:ARG43 4.1 7.5 1.0 BR A:BR193 4.2 27.5 0.8 CB A:LYS188 4.5 22.6 1.0 NH2 A:ARG43 4.5 4.9 1.0 CA A:PHE187 4.6 14.2 1.0 O A:HOH207 4.7 20.6 1.0 CG A:LYS188 4.8 25.6 1.0

Bromine binding site 2 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br192 b:97.0 occ:1.00 N A:LYS89 3.3 21.9 1.0 CE A:LYS89 3.4 35.4 1.0 O A:LEU87 3.6 24.5 1.0 CA A:ILE88 3.6 23.8 1.0 CE A:LYS106 3.6 27.0 1.0 NZ A:LYS106 3.6 30.1 1.0 CD A:LYS106 3.9 22.3 1.0 CG A:LYS89 3.9 29.1 1.0 C A:ILE88 4.0 22.8 1.0 CB A:LYS89 4.1 25.3 0.0 CG1 A:ILE88 4.2 27.4 1.0 CD A:LYS89 4.2 35.2 1.0 CA A:LYS89 4.3 23.0 0.0 CB A:ILE88 4.4 24.7 1.0 C A:LEU87 4.4 24.1 1.0 N A:ILE88 4.5 21.8 1.0 NZ A:LYS89 4.5 35.1 1.0 O A:LYS89 5.0 23.7 1.0

Bromine binding site 3 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br193 b:27.5 occ:0.77 NH1 A:ARG43 3.2 7.5 1.0 CD A:ARG43 3.6 3.1 1.0 CG A:ARG43 3.9 5.9 1.0 O A:HOH251 4.1 3.3 1.0 BR A:BR191 4.2 0.1 1.0 CZ A:ARG43 4.2 5.7 1.0 O A:HOH204 4.2 8.7 1.0 CB A:ASP39 4.2 11.5 0.0 CB A:PHE187 4.3 12.2 1.0 CD1 A:PHE187 4.3 12.2 1.0 NE A:ARG43 4.3 5.3 1.0 CG A:PHE187 4.7 14.7 1.0 OD2 A:ASP39 4.8 14.8 1.0 CG A:ASP39 4.9 11.8 1.0 O A:ASP39 4.9 11.9 1.0 C A:ASP39 4.9 10.9 1.0

Bromine binding site 4 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br194 b:40.4 occ:0.73 OG A:SER180 3.2 39.6 1.0 O A:HOH216 3.3 8.9 1.0 O A:HOH318 3.3 47.1 1.0 CD A:ARG176 3.4 24.9 1.0 NH1 A:ARG176 3.7 18.3 1.0 CB A:SER180 3.7 36.2 1.0 CG2 A:VAL182 3.9 32.9 1.0 CG A:PRO134 4.1 10.2 1.0 CD A:PRO134 4.1 8.6 1.0 CG A:ARG176 4.4 20.4 1.0 NE A:ARG176 4.4 22.5 1.0 CD2 A:LEU177 4.4 12.7 1.0 CZ A:ARG176 4.5 18.5 1.0 O A:ARG176 4.9 15.3 1.0

Bromine binding site 5 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br195 b:43.8 occ:0.65 O A:HOH246 3.0 14.7 1.0 CD1 A:PHE146 3.6 14.3 1.0 CD A:PRO117 4.1 9.8 1.0 CE1 A:PHE120 4.1 12.6 1.0 CB A:PHE146 4.3 14.9 1.0 CG A:PRO117 4.3 11.2 1.0 CG A:PHE146 4.4 14.1 1.0 CE1 A:PHE146 4.5 12.7 1.0 CA A:PHE146 4.5 12.2 1.0 CD1 A:LEU116 4.6 5.1 1.0 CD1 A:PHE120 4.8 11.9 1.0 CZ A:PHE120 4.9 12.0 1.0 N A:PHE146 4.9 12.8 1.0 O A:ALA142 5.0 10.7 1.0

Bromine binding site 6 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br196 b:37.6 occ:0.58 O A:HOH289 3.9 26.8 1.0 CG A:PRO84 3.9 13.3 1.0 CB A:PRO84 4.0 11.8 1.0 O A:HOH301 4.3 36.0 1.0 CD A:PRO84 5.0 11.1 1.0

Bromine binding site 7 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br197 b:29.8 occ:0.48 O A:HOH256 3.1 27.3 1.0 CB A:LYS81 3.7 12.6 1.0 CG A:LYS81 3.9 11.4 1.0 CA A:LYS81 4.2 12.8 1.0 CD2 A:LEU55 4.3 9.1 1.0 O A:HOH258 4.4 21.3 1.0 O A:CYS54 4.4 12.9 1.0 CD A:LYS81 4.6 12.8 1.0 O A:HOH289 4.6 26.8 1.0 CA A:LEU55 4.8 14.0 1.0 N A:LYS81 4.8 10.6 1.0 NZ A:LYS81 4.9 11.0 1.0

Bromine binding site 8 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br198 b:24.5 occ:0.38 CD A:PRO154 3.6 19.2 1.0 CA A:ALA153 3.8 15.5 1.0 O A:LEU152 3.9 15.2 1.0 O A:HOH341 4.0 37.4 1.0 NZ A:LYS81 4.2 11.0 1.0 CG A:PRO154 4.3 22.8 1.0 CE A:LYS81 4.3 11.6 1.0 N A:PRO154 4.4 17.9 1.0 N A:ALA153 4.5 16.2 1.0 C A:LEU152 4.5 15.4 1.0 C A:ALA153 4.5 16.6 1.0 CB A:ALA153 4.6 16.3 1.0

Bromine binding site 9 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


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 the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br199 b:12.9 occ:0.33 N A:GLU118 3.4 12.7 1.0 CG A:GLU118 3.9 27.2 1.0 CB A:GLU118 4.0 19.5 1.0 CA A:PRO117 4.0 10.7 1.0 O A:HOH264 4.1 30.7 1.0 C A:PRO117 4.2 11.6 1.0 CA A:GLU118 4.3 16.2 1.0 CD A:GLU118 4.4 34.7 1.0 CB A:PRO117 4.5 10.5 1.0 OE1 A:GLU118 4.6 35.4 1.0 OE2 A:GLU118 4.9 36.1 1.0 N A:ILE119 5.0 16.5 1.0

Bromine binding site 10 out of 11 in the Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of the Calponin-Homology Domain of RNG2 From Schizosaccharomyces Pombe within 5.0Å range: probe atom residue distance (Å) B Occ A:Br200 b:22.8 occ:0.27 CG2 A:THR34 3.7 17.2 1.0 CB A:TYR38 4.0 9.0 1.0 CA A:LEU35 4.0 11.8 1.0 N A:LEU35 4.2 10.8 1.0 CG A:TYR38 4.3 8.0 1.0 CD1 A:LEU35 4.5 15.3 1.0 C A:THR34 4.5 13.0 1.0 O A:THR34 4.6 12.3 1.0 CD2 A:TYR38 4.6 7.7 1.0 CB A:LEU35 4.6 13.2 1.0 CB A:THR34 4.8 14.2 1.0 CD1 A:TYR38 5.0 10.9 1.0

C.H.Wang, M.K.Balasubramanian, T.Dokland. Structure, Crystal Packing and Molecular Dynamics of the Calponin-Homology Domain of Schizosaccharomyces Pombe RNG2. Acta Crystallogr.,Sect.D V. 60 1396 2004.
ISSN: ISSN 0907-4449
PubMed: 15272162
DOI: 10.1107/S0907444904012983