Chlorine in PDB 2j6w: R164N Mutant of the RUNX1 Runt Domain

The structure of R164N Mutant of the RUNX1 Runt Domain, PDB code: 2j6w was solved by J.Grembecka, L.Zhe, S.M.Lukasik, Y.Liu, I.Bielnicka, J.H.Bushweller, N.A.Speck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.6
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.948, 46.497, 63.552, 90.00, 90.66, 90.00
R / Rfree (%)	20.9 / 26.8

The binding sites of Chlorine atom in the R164N Mutant of the RUNX1 Runt Domain (pdb code 2j6w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the R164N Mutant of the RUNX1 Runt Domain, PDB code: 2j6w:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the R164N Mutant of the RUNX1 Runt Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of R164N Mutant of the RUNX1 Runt Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1174 b:72.2 occ:1.00 N A:GLU116 3.3 49.9 1.0 ND2 A:ASN112 3.4 50.5 1.0 CA A:GLY138 3.5 48.8 1.0 CA A:ALA115 3.7 50.0 1.0 C A:ALA115 4.0 49.9 1.0 CB A:GLU116 4.0 49.9 1.0 CB A:ALA115 4.1 50.0 1.0 CA A:GLU116 4.3 49.9 1.0 CG A:ASN112 4.3 50.5 1.0 OD1 A:ASN112 4.4 50.8 1.0 N A:GLY138 4.5 48.8 1.0 C A:GLY138 4.5 48.8 1.0 N A:ARG139 4.7 48.9 1.0 O A:SER114 4.8 50.0 1.0 O A:HOH2017 4.9 39.3 1.0 N A:ALA115 4.9 50.0 1.0

Chlorine binding site 2 out of 4 in the R164N Mutant of the RUNX1 Runt Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of R164N Mutant of the RUNX1 Runt Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1175 b:50.8 occ:1.00 N A:VAL170 3.8 49.0 1.0 NE A:ARG139 4.0 49.1 1.0 NH2 A:ARG139 4.1 49.4 1.0 CG1 A:VAL170 4.1 49.0 1.0 CA A:THR169 4.1 49.0 1.0 CB A:THR169 4.2 49.0 1.0 CA A:GLY141 4.3 49.1 1.0 CB A:VAL170 4.4 49.0 1.0 C A:THR169 4.5 49.0 1.0 O A:HOH2024 4.5 40.0 1.0 CG2 A:THR169 4.5 49.0 1.0 CZ A:ARG139 4.6 49.2 1.0 CA A:VAL170 4.7 48.9 1.0 CB A:ARG139 4.7 48.9 1.0 N A:GLY141 4.9 49.0 1.0 CD B:ARG142 5.0 49.8 1.0 CG A:ARG139 5.0 48.9 1.0

Chlorine binding site 3 out of 4 in the R164N Mutant of the RUNX1 Runt Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of R164N Mutant of the RUNX1 Runt Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1174 b:56.2 occ:1.00 N B:VAL170 3.6 48.7 1.0 NE B:ARG139 3.9 49.4 1.0 CA B:GLY141 4.0 49.5 1.0 NH2 B:ARG139 4.0 49.4 1.0 CG1 B:VAL170 4.1 48.7 1.0 CA B:THR169 4.1 48.9 1.0 CB B:VAL170 4.2 48.6 1.0 C B:THR169 4.3 48.8 1.0 CB B:THR169 4.4 48.9 1.0 CB B:ARG139 4.4 49.2 1.0 CZ B:ARG139 4.5 49.4 1.0 CG B:ARG139 4.5 49.3 1.0 CA B:VAL170 4.5 48.6 1.0 CG2 B:THR169 4.6 49.0 1.0 N B:GLY141 4.7 49.5 1.0 CD B:ARG139 4.9 49.3 1.0

Chlorine binding site 4 out of 4 in the R164N Mutant of the RUNX1 Runt Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of R164N Mutant of the RUNX1 Runt Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1175 b:68.4 occ:1.00 ND2 B:ASN112 3.3 50.2 1.0 N B:GLU116 3.4 49.7 1.0 CA B:GLY138 3.7 49.3 1.0 CA B:ALA115 3.8 49.7 1.0 CB B:GLU116 4.1 49.6 1.0 C B:ALA115 4.1 49.7 1.0 CG B:ASN112 4.2 50.1 1.0 CB B:ALA115 4.3 49.8 1.0 CA B:GLU116 4.3 49.6 1.0 OD1 B:ASN112 4.4 50.3 1.0 N B:GLY138 4.6 49.3 1.0 O B:SER114 4.7 49.8 1.0 C B:GLY138 4.8 49.3 1.0 N B:ALA115 4.9 49.7 1.0

Z.Li, S.M.Lukasik, Y.Liu, J.Grembecka, I.Bielnicka, J.H.Bushweller, N.A.Speck. A Mutation in the S-Switch Region of the Runt Domain Alters the Dynamics of An Allosteric Network Responsible For Cbfbeta Regulation. J.Mol.Biol. V. 364 1073 2006.
ISSN: ISSN 0022-2836
PubMed: 17059830
DOI: 10.1016/J.JMB.2006.10.002