Barium in PDB 1zqb: Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed with Seven Base Pairs of Dna; Soaked in the Presence of BACL2 (150 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 (150 Millimolar), PDB code: 1zqb 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 / 3.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	177.888, 57.871, 48.136, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 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 (150 Millimolar) (pdb code 1zqb). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 3 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 (150 Millimolar), PDB code: 1zqb:
Jump to Barium binding site number: 1; 2; 3;

Barium binding site 1 out of 3 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 (150 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 (150 Millimolar) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba340 b:57.9 occ:0.20 O3' P:DG7 3.0 75.3 1.0 C3' P:DG7 3.0 69.9 1.0 OD2 A:ASP192 3.2 58.0 1.0 OD2 A:ASP190 3.4 54.4 1.0 OD1 A:ASP190 3.7 48.5 1.0 CG A:ASP190 3.9 45.7 1.0 C4' P:DG7 4.0 65.5 1.0 C2' P:DG7 4.2 69.1 1.0 CG A:ASP192 4.4 57.1 1.0 O A:HOH660 4.4 32.6 1.0 O A:HOH655 4.4 65.2 1.0 C5' P:DG7 4.5 59.4 1.0 O5' P:DG7 4.6 54.1 1.0 O A:HOH657 4.8 51.5 1.0 CB A:ASP192 4.8 45.4 1.0 OD2 A:ASP256 4.9 6.1 1.0

Barium binding site 2 out of 3 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 (150 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 (150 Millimolar) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba341 b:27.5 occ:1.00 O A:THR101 2.4 3.0 1.0 OP1 P:DT6 2.4 13.4 1.0 O P:HOH601 2.7 93.8 1.0 OP2 P:DT6 2.8 8.6 1.0 O A:ILE106 2.8 19.9 1.0 P P:DT6 3.1 9.9 1.0 O A:VAL103 3.2 15.1 1.0 C A:THR101 3.6 12.6 1.0 C A:ILE106 3.9 9.2 1.0 O5' P:DT6 4.1 5.7 1.0 C A:VAL103 4.1 10.2 1.0 N A:GLY105 4.4 20.4 1.0 N A:ILE106 4.4 16.2 1.0 O3' P:DA5 4.4 1.0 1.0 C A:ARG102 4.4 28.4 1.0 N A:ARG102 4.4 19.3 1.0 CA A:SER104 4.5 14.9 1.0 N A:VAL103 4.5 23.7 1.0 CA A:ARG102 4.5 16.1 1.0 CA A:ILE106 4.6 7.4 1.0 CA A:THR101 4.6 8.5 1.0 O P:HOH567 4.6 27.7 1.0 N A:SER104 4.7 6.1 1.0 O A:ARG102 4.8 37.9 1.0 N A:GLY107 4.9 2.5 1.0 CB A:ILE106 4.9 1.0 1.0 C A:SER104 4.9 19.8 1.0

Barium binding site 3 out of 3 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 (150 Millimolar)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 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 (150 Millimolar) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba342 b:60.5 occ:1.00 O A:LEU62 2.2 25.5 1.0 O A:HOH665 2.3 1.9 1.0 O A:LYS60 2.8 28.5 1.0 O A:VAL65 3.0 19.4 1.0 C A:LEU62 3.4 31.2 1.0 C A:VAL65 4.0 16.4 1.0 C A:LYS60 4.1 34.0 1.0 C A:LYS61 4.2 38.4 1.0 N A:LEU62 4.2 31.1 1.0 N A:VAL65 4.3 14.2 1.0 O A:LYS61 4.3 36.8 1.0 CA A:LEU62 4.4 30.7 1.0 N A:PRO63 4.4 34.1 1.0 CA A:PRO63 4.4 32.1 1.0 CA A:VAL65 4.5 13.8 1.0 CG A:LYS60 4.7 36.8 1.0 N A:GLY64 4.7 23.9 1.0 CB A:VAL65 4.8 18.4 1.0 CA A:LYS61 4.8 42.9 1.0 N A:LYS61 4.8 38.9 1.0 C A:PRO63 4.9 26.3 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