Chlorine in PDB 1eaq: The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding

The structure of The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding, PDB code: 1eaq was solved by S.Backstrom, M.Wolf-Watz, C.Grundstrom, T.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)	25.00 / 1.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.300, 46.400, 63.000, 90.00, 92.30, 90.00
R / Rfree (%)	14.9 / 16.7

The binding sites of Chlorine atom in the The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding (pdb code 1eaq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding, PDB code: 1eaq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1174 b:17.7 occ:1.00 O A:HOH2133 3.1 21.1 1.0 O A:HOH2130 3.2 37.4 1.0 NE A:ARG139 3.3 16.9 1.0 N A:VAL170 3.3 12.4 1.0 NH2 A:ARG139 3.5 18.5 1.0 CA A:THR169 3.6 12.3 1.0 CB A:THR169 3.8 13.3 1.0 CZ A:ARG139 3.9 17.2 1.0 CA A:GLY141 3.9 16.3 1.0 CD B:ARG142 3.9 26.7 1.0 C A:THR169 3.9 11.6 1.0 CB A:ARG139 4.0 14.1 1.0 CG1 A:VAL170 4.1 16.3 1.0 CG A:ARG139 4.2 15.2 1.0 CG2 A:THR169 4.2 13.8 1.0 CB A:VAL170 4.2 14.4 1.0 N A:GLY141 4.3 14.5 1.0 CD A:ARG139 4.3 16.7 1.0 CA A:VAL170 4.4 13.2 1.0 O A:ILE168 4.5 12.2 1.0 O A:HOH2158 4.6 17.7 1.0 CB B:ARG142 4.6 19.9 1.0 O B:HOH2156 4.7 33.7 1.0 C A:GLY141 4.7 14.8 1.0 CG B:ARG142 4.8 23.4 1.0 NE B:ARG142 4.8 32.1 1.0 N A:THR169 4.8 11.6 1.0

Chlorine binding site 2 out of 4 in the The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1175 b:27.9 occ:1.00 N A:GLU116 3.2 14.8 1.0 O A:HOH2098 3.2 27.6 1.0 CA A:GLY138 3.7 13.9 1.0 CA A:ALA115 3.7 15.6 1.0 ND2 A:ASN112 3.8 27.9 1.0 CB A:GLU116 3.9 16.0 1.0 C A:ALA115 3.9 14.5 1.0 CA A:GLU116 4.1 14.8 1.0 O A:HOH2127 4.3 24.6 1.0 CB A:ALA115 4.3 15.9 1.0 O A:SER114 4.5 21.7 1.0 N A:GLY138 4.5 13.1 1.0 OD1 A:ASN112 4.7 27.7 1.0 CG A:ASN112 4.7 24.2 1.0 C A:GLY138 4.8 13.6 1.0 N A:ALA115 4.9 15.6 1.0

Chlorine binding site 3 out of 4 in the The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1174 b:16.8 occ:1.00 O B:HOH2076 3.2 43.1 1.0 NE B:ARG139 3.2 16.5 1.0 O B:HOH2093 3.3 31.5 1.0 O B:HOH2115 3.3 43.0 1.0 N B:VAL170 3.3 13.1 1.0 NH2 B:ARG139 3.5 18.8 1.0 CA B:THR169 3.6 11.9 1.0 CA B:GLY141 3.8 16.4 1.0 CB B:THR169 3.8 14.1 1.0 CZ B:ARG139 3.8 16.4 1.0 C B:THR169 3.9 11.9 1.0 CB B:ARG139 4.0 13.0 1.0 CG1 B:VAL170 4.1 16.7 1.0 CG B:ARG139 4.2 13.9 1.0 CG2 B:THR169 4.2 15.5 1.0 CB B:VAL170 4.2 14.3 1.0 CD B:ARG139 4.3 16.0 1.0 N B:GLY141 4.3 14.9 1.0 CA B:VAL170 4.3 13.7 1.0 O B:ILE168 4.5 12.1 1.0 O B:HOH2190 4.6 22.5 1.0 N B:THR169 4.8 11.0 1.0 C B:GLY141 4.9 17.7 1.0

Chlorine binding site 4 out of 4 in the The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The RUNX1 Runt Domain at 1.25A Resolution: A Structural Switch and Specifically Bound Chloride Ions Modulate Dna Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1175 b:25.6 occ:1.00 N B:GLU116 3.2 13.4 1.0 O B:HOH2123 3.2 25.6 1.0 ND2 B:ASN112 3.5 26.3 1.0 CA B:GLY138 3.6 12.7 1.0 CA B:ALA115 3.7 14.7 1.0 CB B:GLU116 3.8 14.5 1.0 C B:ALA115 3.9 14.1 1.0 CA B:GLU116 4.1 13.1 1.0 O B:HOH2119 4.2 44.3 1.0 CB B:ALA115 4.3 16.1 1.0 O B:HOH2153 4.3 22.7 1.0 N B:GLY138 4.4 13.2 1.0 O B:SER114 4.5 25.2 1.0 CG B:ASN112 4.6 24.0 1.0 C B:GLY138 4.7 12.4 1.0 OD1 B:ASN112 4.8 28.2 1.0 N B:ALA115 4.9 14.7 1.0

S.Backstrom, M.Wolf-Watz, C.Grundstrom, T.Hard, T.Grundstrom, U.H.Sauer. The RUNX1 Runt Domain at 1.25 A 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