Barium in PDB 1zqn: Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar)

The structure of Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar), PDB code: 1zqn was solved by H.Pelletier, M.R.Sawaya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	177.840, 57.674, 47.995, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / n/a

The binding sites of Barium atom in the Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar) (pdb code 1zqn). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar), PDB code: 1zqn:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba341 b:59.1 occ:1.00 O A:THR101 2.6 21.6 1.0 OP1 P:DT6 2.7 25.1 1.0 O A:HOH588 2.8 0.0 1.0 O A:ILE106 2.9 21.0 1.0 OP2 P:DT6 2.9 12.0 1.0 P P:DT6 3.2 7.7 1.0 O A:VAL103 3.5 5.4 1.0 C A:THR101 3.7 17.8 1.0 C A:ILE106 4.0 12.9 1.0 O5' P:DT6 4.1 6.0 1.0 C A:VAL103 4.2 2.7 1.0 N A:GLY105 4.4 11.1 1.0 CA A:SER104 4.5 8.7 1.0 N A:ILE106 4.6 4.3 1.0 C A:ARG102 4.6 26.6 1.0 O3' P:DA5 4.6 8.0 1.0 CA A:THR101 4.6 13.8 1.0 O P:HOH561 4.6 47.4 1.0 N A:SER104 4.7 3.7 1.0 N A:ARG102 4.7 14.1 1.0 N A:VAL103 4.7 18.8 1.0 CA A:ARG102 4.7 20.0 1.0 N A:GLY107 4.8 8.8 1.0 CA A:ILE106 4.8 3.1 1.0 CG2 A:THR101 4.9 20.2 1.0 O A:ARG102 4.9 37.5 1.0 CA A:GLY107 4.9 2.1 1.0 C A:SER104 5.0 8.4 1.0

Barium binding site 2 out of 2 in the Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (15 Millimolar) and Nacl (15 Millimolar) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba342 b:61.7 occ:1.00 O A:LEU62 2.7 24.7 1.0 O A:VAL65 2.8 18.4 1.0 O A:LYS60 3.0 38.0 1.0 C A:VAL65 3.8 13.8 1.0 C A:LEU62 3.9 24.6 1.0 N A:VAL65 4.2 5.8 1.0 C A:LYS60 4.2 36.6 1.0 C A:LYS61 4.4 33.6 1.0 CA A:VAL65 4.4 10.2 1.0 O A:LYS61 4.5 35.2 1.0 N A:LEU62 4.6 22.7 1.0 CG A:LYS60 4.6 40.9 1.0 N A:GLY64 4.6 22.8 1.0 N A:GLY66 4.7 21.3 1.0 N A:PRO63 4.7 31.9 1.0 CA A:PRO63 4.8 23.1 1.0 CA A:LEU62 4.8 19.2 1.0 CA A:GLY66 4.8 25.1 1.0 CB A:VAL65 4.9 18.6 1.0 CA A:LYS61 4.9 38.6 1.0 CE A:LYS60 5.0 54.2 1.0

H.Pelletier, M.R.Sawaya. Characterization of the Metal Ion Binding Helix-Hairpin-Helix Motifs in Human Dna Polymerase Beta By X-Ray Structural Analysis. Biochemistry V. 35 12778 1996.
ISSN: ISSN 0006-2960
PubMed: 8841120
DOI: 10.1021/BI960790I