Bromine in PDB 3i4u: Crystal Structure Analysis of A Helicase Associated Domain

The structure of Crystal Structure Analysis of A Helicase Associated Domain, PDB code: 3i4u was solved by D.Kudlinzki, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.48 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.854, 78.854, 88.793, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.5

The binding sites of Bromine atom in the Crystal Structure Analysis of A Helicase Associated Domain (pdb code 3i4u). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure Analysis of A Helicase Associated Domain, PDB code: 3i4u:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure Analysis of A Helicase Associated 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 Analysis of A Helicase Associated Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:38.6 occ:1.00 NE2 A:HIS998 3.1 37.5 1.0 NH1 A:ARG979 3.3 35.3 1.0 NE A:ARG975 3.6 50.5 1.0 CA A:LEU976 3.7 27.7 1.0 CD A:ARG979 3.7 29.8 1.0 CE1 A:HIS998 3.8 37.8 1.0 NH2 A:ARG975 3.8 57.3 1.0 N A:LEU976 3.9 28.5 1.0 CG2 A:ILE994 3.9 23.7 1.0 CB A:LEU976 4.0 27.3 1.0 CZ A:ARG979 4.1 34.1 1.0 CZ A:ARG975 4.2 55.6 1.0 CD2 A:HIS998 4.2 36.4 1.0 NE A:ARG979 4.2 32.4 1.0 C A:ARG975 4.3 29.9 1.0 CD1 A:LEU976 4.4 25.8 1.0 O A:ARG975 4.5 29.9 1.0 CG A:ARG975 4.5 35.8 1.0 CB A:ARG975 4.6 31.8 1.0 CD A:ARG975 4.6 38.2 1.0 O A:HOH2185 4.7 26.4 1.0 CG A:LEU976 4.8 27.2 1.0 CG A:ARG979 5.0 26.9 1.0

Bromine binding site 2 out of 3 in the Crystal Structure Analysis of A Helicase Associated 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 Analysis of A Helicase Associated Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2 b:43.0 occ:0.50 O A:HOH2067 3.1 47.7 1.0 O A:HOH2044 3.2 39.9 1.0 O A:HOH2023 3.4 30.9 1.0 CB A:GLU986 3.7 28.4 1.0 CZ A:PHE1111 3.9 23.0 1.0 CE1 A:PHE1111 4.0 23.5 1.0 CE1 A:HIS1152 4.0 28.1 1.0 CG A:LEU989 4.0 24.4 1.0 CE A:MET988 4.2 27.1 1.0 CD1 A:LEU989 4.2 25.7 1.0 CG A:GLU986 4.4 31.6 1.0 CB A:MET988 4.5 24.6 1.0 O A:HOH2105 4.5 62.0 1.0 NE2 A:HIS1152 4.6 28.4 1.0 N A:LEU989 4.6 23.6 1.0 ND1 A:HIS1152 4.7 28.1 1.0 CA A:GLU986 4.9 27.8 1.0 CD2 A:LEU989 4.9 25.1 1.0 CB A:LEU989 4.9 23.7 1.0 O A:GLU986 5.0 27.0 1.0 C A:GLU986 5.0 27.0 1.0

Bromine binding site 3 out of 3 in the Crystal Structure Analysis of A Helicase Associated 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 Analysis of A Helicase Associated Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:55.8 occ:0.50 NH1 A:ARG1074 3.1 61.4 1.0 N A:GLN1015 3.2 43.7 1.0 O A:HOH2114 3.5 88.0 1.0 CD A:ARG1074 3.6 38.3 1.0 CB A:VAL1014 3.7 32.0 1.0 CB A:GLN1015 3.8 51.3 1.0 CG A:GLN1015 3.8 55.8 1.0 CA A:VAL1014 3.9 32.8 1.0 C A:VAL1014 4.1 37.2 1.0 CA A:GLN1015 4.1 50.6 1.0 CZ A:ARG1074 4.1 59.1 1.0 OG A:SER1071 4.1 30.2 1.0 CG1 A:VAL1014 4.2 31.1 1.0 NE A:ARG1074 4.3 53.1 1.0 CB A:SER1071 4.5 29.6 1.0 CA A:SER1071 4.5 29.5 1.0 CB A:ARG1074 4.7 31.1 1.0 CG A:ARG1074 4.8 35.8 1.0 CG2 A:VAL1014 4.9 31.0 1.0 O A:HOH2098 4.9 62.9 1.0 N A:ASN1016 4.9 55.0 1.0 C A:GLN1015 5.0 53.1 1.0

D.Kudlinzki, A.Schmitt, H.Christian, R.Ficner. Structural Analysis of the C-Terminal Domain of the Spliceosomal Helicase PRP22 Biol.Chem. V. 393 1131 2012.
ISSN: ISSN 1431-6730
PubMed: 23096351
DOI: 10.1515/HSZ-2012-0158