Bromine in PDB 1eao: The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding

The structure of The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding, PDB code: 1eao was solved by S.Backstrom, M.Wolf-Watz, C.Grundstrom, T.H.Hard, T.Grundstrom, U.H.Sauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.77 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.066, 46.173, 62.904, 90.00, 91.94, 90.00
R / Rfree (%)	14.1 / 17.3

The binding sites of Bromine atom in the The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding (pdb code 1eao). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding, PDB code: 1eao:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1174 b:18.9 occ:0.95 O A:HOH2125 3.3 19.1 1.0 NE A:ARG139 3.4 15.6 1.0 N A:VAL170 3.4 11.3 1.0 NH2 A:ARG139 3.7 16.9 1.0 CA A:THR169 3.7 11.1 1.0 CD B:ARG142 3.7 25.9 1.0 CB A:THR169 3.9 12.2 1.0 CA A:GLY141 3.9 14.0 1.0 CZ A:ARG139 4.0 16.3 1.0 CB A:ARG139 4.0 13.1 1.0 C A:THR169 4.1 11.5 1.0 CG2 A:THR169 4.2 12.8 1.0 CG1 A:VAL170 4.2 14.2 1.0 CG A:ARG139 4.3 14.6 1.0 N A:GLY141 4.3 13.1 1.0 CB A:VAL170 4.3 12.8 1.0 CD A:ARG139 4.5 16.2 1.0 CA A:VAL170 4.5 12.2 1.0 CB B:ARG142 4.5 17.4 1.0 CG B:ARG142 4.6 20.9 1.0 O A:ILE168 4.6 11.3 1.0 O A:HOH2152 4.7 17.2 1.0 C A:GLY141 4.7 13.7 1.0 NE B:ARG142 4.7 29.8 1.0 N A:THR169 4.9 10.9 1.0 N A:ARG142 4.9 14.2 1.0

Bromine binding site 2 out of 4 in the The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1175 b:35.2 occ:0.80 O A:HOH2095 3.3 26.6 1.0 N A:GLU116 3.4 12.7 1.0 CA A:GLY138 3.8 12.2 1.0 CA A:ALA115 3.8 13.6 1.0 ND2 A:ASN112 3.8 25.4 1.0 O A:HOH2088 4.0 39.5 1.0 CB A:GLU116 4.0 13.5 1.0 C A:ALA115 4.1 12.9 1.0 O A:HOH2121 4.2 24.7 1.0 CA A:GLU116 4.3 12.8 1.0 CB A:ALA115 4.4 14.1 1.0 O A:SER114 4.6 18.8 1.0 N A:GLY138 4.6 12.0 1.0 OD1 A:ASN112 4.7 25.3 1.0 CG A:ASN112 4.7 21.3 1.0 C A:GLY138 4.8 12.0 1.0 N A:ALA115 4.9 13.6 1.0

Bromine binding site 3 out of 4 in the The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1174 b:21.2 occ:0.95 O B:HOH2165 3.3 38.7 1.0 NE B:ARG139 3.3 14.6 1.0 O B:HOH2099 3.4 32.0 1.0 N B:VAL170 3.4 11.8 1.0 NH2 B:ARG139 3.6 17.3 1.0 CA B:THR169 3.7 11.4 1.0 CA B:GLY141 3.7 14.7 1.0 CB B:THR169 3.8 12.7 1.0 CZ B:ARG139 3.9 15.0 1.0 C B:THR169 4.1 10.9 1.0 CB B:ARG139 4.1 12.2 1.0 CG1 B:VAL170 4.2 14.7 1.0 CG2 B:THR169 4.2 13.3 1.0 CG B:ARG139 4.2 12.9 1.0 CB B:VAL170 4.3 13.0 1.0 N B:GLY141 4.3 13.3 1.0 CD B:ARG139 4.4 15.3 1.0 CA B:VAL170 4.4 12.1 1.0 O B:ILE168 4.6 11.3 1.0 O B:HOH2202 4.7 20.3 1.0 C B:GLY141 4.9 15.3 1.0 N B:THR169 4.9 11.6 1.0

Bromine binding site 4 out of 4 in the The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The RUNX1 Runt Domain at 1.4A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1175 b:31.8 occ:0.80 N B:GLU116 3.2 12.1 1.0 O B:HOH2129 3.3 23.9 1.0 ND2 B:ASN112 3.5 23.2 1.0 CA B:GLY138 3.7 11.0 1.0 CA B:ALA115 3.8 14.1 1.0 CB B:GLU116 3.9 12.4 1.0 C B:ALA115 4.0 13.4 1.0 CA B:GLU116 4.2 11.7 1.0 O B:HOH2160 4.3 20.4 1.0 CB B:ALA115 4.3 14.5 1.0 O B:HOH2120 4.5 34.2 1.0 N B:GLY138 4.5 11.1 1.0 CG B:ASN112 4.5 20.2 1.0 O B:SER114 4.6 21.2 1.0 OD1 B:ASN112 4.7 24.4 1.0 C B:GLY138 4.8 11.2 1.0 N B:ALA115 4.9 13.8 1.0

S.Backstrom, M.Wolf-Watz, C.Grundstrom, T.Hard, T.Grundstrom, U.Sauer. The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding J.Mol.Biol. V. 322 259 2002.
ISSN: ISSN 0022-2836
PubMed: 12217689
DOI: 10.1016/S0022-2836(02)00702-7