Chlorine in PDB 2wtu: Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch.

The structure of Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch., PDB code: 2wtu was solved by G.Natrajan, J.H.Lebbink, A.Reumer, A.Fish, H.H.Winterwerp, T.K.Sixma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.105, 137.890, 161.446, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 26.3

The binding sites of Chlorine atom in the Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch. (pdb code 2wtu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch., PDB code: 2wtu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1802 b:30.0 occ:1.00 ND1 A:HIS728 2.9 56.9 1.0 OG1 B:THR699 3.4 48.9 1.0 O B:GLY698 3.5 49.1 1.0 CG A:HIS728 3.5 54.9 1.0 CE1 A:HIS728 3.6 58.4 1.0 CB A:HIS728 3.9 53.0 1.0 N A:ASN616 3.9 58.7 1.0 CA A:PRO615 3.9 57.6 1.0 CA B:THR699 4.0 48.5 1.0 CB B:THR699 4.1 48.3 1.0 O A:GLY614 4.2 57.1 1.0 C A:PRO615 4.4 58.2 1.0 C B:GLY698 4.4 49.0 1.0 NE2 A:HIS728 4.4 58.6 1.0 CD2 A:HIS728 4.4 56.7 1.0 CB A:PRO615 4.6 57.6 1.0 N B:THR699 4.7 48.8 1.0 CA A:HIS728 4.9 52.4 1.0 CB A:SER770 4.9 67.1 1.0 NZ A:LYS620 4.9 52.2 1.0 N A:PRO615 5.0 57.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1803 b:30.0 occ:1.00 NH1 A:ARG154 2.5 71.2 1.0 CZ A:ARG154 3.5 69.8 1.0 NH2 A:ARG156 3.8 63.5 1.0 NH2 A:ARG154 3.9 69.1 1.0 OG A:SER547 4.1 56.7 1.0 NE A:ARG154 4.6 67.4 1.0 CG A:ARG154 4.7 56.8 1.0 CD A:ARG154 5.0 61.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Escherichia Coli Muts in Complex with A 16 Basepair Oligo Containing An A.A Mismatch. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1801 b:30.0 occ:1.00 CE B:LYS517 3.1 63.4 1.0 CD B:LYS517 3.7 64.3 1.0 CE2 B:PHE467 4.0 71.8 1.0 NZ B:LYS517 4.0 61.8 1.0 CZ B:PHE467 4.2 71.7 1.0 CD2 B:PHE467 4.8 71.6 1.0 CG1 B:VAL513 4.9 69.0 1.0

J.H.Lebbink, A.Fish, A.Reumer, G.Natrajan, H.H.Winterwerp, T.K.Sixma. Magnesium Coordination Controls the Molecular Switch Function of Dna Mismatch Repair Protein Muts. J. Biol. Chem. V. 285 13131 2010.
ISSN: ESSN 1083-351X
PubMed: 20167596
DOI: 10.1074/JBC.M109.066001