Chlorine in PDB 3ubt: Crystal Structure of C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna

All present enzymatic activity of Crystal Structure of C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna:
2.1.1.37;

The structure of Crystal Structure of C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna, PDB code: 3ubt was solved by G.L.Verdine, A.Didovyk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.98 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.564, 129.588, 132.381, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna (pdb code 3ubt). 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 C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna, PDB code: 3ubt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna


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 C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna within 5.0Å range: probe atom residue distance (Å) B Occ Y:Cl332 b:33.9 occ:1.00 N4 H:DC11 3.6 41.7 1.0 OG Y:SER241 3.6 28.1 1.0 O H:HOH492 3.8 38.3 1.0 NE2 Y:GLN244 4.0 30.7 1.0 O Y:HOH351 4.1 16.3 1.0 CG Y:GLN244 4.1 22.5 1.0 CB Y:ARG243 4.3 15.0 1.0 O Y:HOH417 4.4 33.3 1.0 CB Y:SER241 4.6 19.5 1.0 C4 H:DC11 4.6 45.1 1.0 CD Y:GLN244 4.6 26.6 1.0 NH2 Y:ARG243 4.7 28.0 1.0 CD Y:ARG243 4.7 32.5 1.0 CG Y:ARG243 4.8 16.9 1.0 C5 H:DC11 4.9 44.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna


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 C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl332 b:24.0 occ:1.00 OG A:SER241 3.4 23.6 1.0 N4 F:DC11 3.6 33.2 1.0 O A:HOH474 3.7 26.4 1.0 CG A:GLN244 3.9 23.2 1.0 NE2 A:GLN244 3.9 33.2 1.0 O A:HOH367 4.0 19.6 1.0 O A:HOH475 4.2 30.3 1.0 N6 F:DA12 4.3 22.5 1.0 NH2 A:ARG243 4.3 22.6 1.0 CB A:ARG243 4.4 17.5 1.0 CB A:SER241 4.4 19.0 1.0 CD A:GLN244 4.4 22.7 1.0 C4 F:DC11 4.6 37.5 1.0 C5 F:DC11 4.7 31.2 1.0 CD A:ARG243 4.8 28.5 1.0 CG A:ARG243 4.9 23.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna


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 C71S Mutant of Dna Cytosine-5 Methyltransferase M.Haeiii Bound to Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl332 b:36.3 occ:1.00 O Y:HOH479 3.1 38.2 1.0 O C:HOH594 3.2 42.4 1.0 O G:HOH193 3.2 35.1 1.0 N4 C:DC11 3.5 27.2 1.0 OG B:SER241 3.6 18.7 1.0 O C:HOH478 3.9 42.0 1.0 NE2 B:GLN244 4.0 22.2 1.0 CG B:GLN244 4.1 26.5 1.0 O B:HOH353 4.3 23.8 1.0 O B:HOH463 4.3 42.5 1.0 C5 C:DC11 4.4 22.7 1.0 C4 C:DC11 4.4 26.5 1.0 CB B:SER241 4.4 18.2 1.0 CD B:GLN244 4.6 20.4 1.0 CB B:ARG243 4.8 16.5 1.0 O B:HOH388 4.9 23.3 1.0 NH1 B:ARG243 4.9 16.3 1.0 N6 G:DA9 4.9 26.7 1.0

A.Didovyk, G.L.Verdine. Structural Origins of Dna Target Selection and Nucleobase Extrusion By A Dna Cytosine Methyltransferase. J.Biol.Chem. V. 287 40099 2012.
ISSN: ISSN 0021-9258
PubMed: 23012373
DOI: 10.1074/JBC.M112.413054