Chlorine in PDB 4bwm: Klentaq Mutant in Complex with A Rna/Dna Hybrid

All present enzymatic activity of Klentaq Mutant in Complex with A Rna/Dna Hybrid:
2.7.7.7;

The structure of Klentaq Mutant in Complex with A Rna/Dna Hybrid, PDB code: 4bwm was solved by N.Blatter, K.Bergen, W.Welte, K.Diederichs, A.Marx, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.985 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	143.192, 86.282, 63.094, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.76

The structure of Klentaq Mutant in Complex with A Rna/Dna Hybrid also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Klentaq Mutant in Complex with A Rna/Dna Hybrid (pdb code 4bwm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Klentaq Mutant in Complex with A Rna/Dna Hybrid, PDB code: 4bwm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Klentaq Mutant in Complex with A Rna/Dna Hybrid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Klentaq Mutant in Complex with A Rna/Dna Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1834 b:31.4 occ:1.00 O A:HOH2354 3.2 27.9 1.0 NH1 A:ARG559 3.2 24.4 1.0 O A:HOH2190 3.4 32.5 1.0 CD A:ARG450 3.7 23.1 1.0 CD A:ARG559 3.8 26.4 1.0 CB A:GLU601 3.9 19.9 1.0 CB A:ARG450 3.9 18.1 1.0 CG A:GLU601 3.9 20.7 1.0 CG A:ARG559 4.0 20.3 1.0 CG A:ARG450 4.0 24.4 1.0 O A:HOH2356 4.0 35.9 1.0 OE1 A:GLU601 4.1 29.2 1.0 CA A:GLU601 4.1 18.8 1.0 CD A:GLU601 4.2 34.7 1.0 CZ A:ARG559 4.3 26.5 1.0 O A:HOH2414 4.4 61.9 1.0 NE A:ARG559 4.5 25.0 1.0 NE A:ARG450 4.5 25.4 1.0 N A:GLU601 4.8 20.1 1.0 O A:GLY558 4.9 19.5 1.0 CA A:ARG450 4.9 13.7 1.0 O A:HOH2189 5.0 41.0 1.0

Chlorine binding site 2 out of 2 in the Klentaq Mutant in Complex with A Rna/Dna Hybrid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Klentaq Mutant in Complex with A Rna/Dna Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1835 b:36.6 occ:1.00 O A:HOH2508 3.2 43.2 1.0 O A:HOH2523 3.3 37.5 1.0 N A:ASP732 3.4 28.2 1.0 CB A:ASP732 3.5 35.3 1.0 CD A:PRO731 3.6 28.0 1.0 CA A:VAL730 3.6 27.0 1.0 C A:VAL730 3.7 26.5 1.0 N A:PRO731 3.7 29.1 1.0 CB A:ALA744 3.8 28.5 1.0 CG A:ASP732 4.0 46.5 1.0 CA A:ASP732 4.0 28.7 1.0 OD2 A:ASP732 4.1 42.0 1.0 CB A:VAL730 4.1 26.4 1.0 CG A:PRO731 4.2 35.0 1.0 CG1 A:VAL730 4.3 29.3 1.0 O A:VAL730 4.3 26.8 1.0 CA A:ALA744 4.4 23.4 1.0 C A:PRO731 4.5 31.6 1.0 O A:TYR729 4.5 27.9 1.0 CA A:PRO731 4.6 29.7 1.0 OD1 A:ASP732 4.7 42.1 1.0 O A:HOH2511 4.7 31.8 1.0 N A:VAL730 4.8 23.8 1.0 C A:ASP732 4.8 25.6 1.0 N A:LEU733 5.0 26.1 1.0 CD A:LYS747 5.0 35.6 1.0

N.Blatter, K.Bergen, O.Nolte, W.Welte, K.Diederichs, J.Mayer, M.Wieland, A.Marx. Struktur Und Funktion Einer Rna-Lesenden Thermostabilen Dna-Polymerase Angew.Chem. V. 125 12154 2013.
ISSN: ISSN 1433-7851
DOI: 10.1002/ANGE.201306655