Barium in PDB 5zur: Achromobacter DH1F Bacterioferritin

The structure of Achromobacter DH1F Bacterioferritin, PDB code: 5zur was solved by A.Dwivedy, B.Jha, K.H.Singh, M.Ahmed, A.Ashraf, D.Kumar, B.K.Biswal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.70 / 1.95
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.665, 158.665, 118.061, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 18.7

The structure of Achromobacter DH1F Bacterioferritin also contains other interesting chemical elements:

Iron	(Fe)	6 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Barium atom in the Achromobacter DH1F Bacterioferritin (pdb code 5zur). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 3 binding sites of Barium where determined in the Achromobacter DH1F Bacterioferritin, PDB code: 5zur:
Jump to Barium binding site number: 1; 2; 3;

Barium binding site 1 out of 3 in the Achromobacter DH1F Bacterioferritin


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Achromobacter DH1F Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba205 b:12.5 occ:0.25 OE1 A:GLN151 2.7 9.4 1.0 OD1 A:ASN148 3.0 10.4 1.0 CD A:GLN151 3.7 9.6 1.0 CG A:ASN148 3.9 11.7 1.0 NE2 A:GLN151 4.0 10.5 1.0 ND2 A:ASN148 4.3 11.2 1.0 CL A:CL206 4.6 66.1 0.2

Barium binding site 2 out of 3 in the Achromobacter DH1F Bacterioferritin


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Achromobacter DH1F Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba204 b:12.3 occ:0.25 OD1 B:ASN148 2.8 10.6 1.0 OE1 B:GLN151 2.9 10.4 1.0 O B:HOH452 3.1 19.2 0.2 CG B:ASN148 3.7 13.9 1.0 CD B:GLN151 3.9 11.3 1.0 NE2 B:GLN151 4.2 10.5 1.0 ND2 B:ASN148 4.2 13.2 1.0 O B:HOH442 4.9 28.2 1.0 CB B:ASN148 4.9 10.7 1.0

Barium binding site 3 out of 3 in the Achromobacter DH1F Bacterioferritin


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Achromobacter DH1F Bacterioferritin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ba204 b:7.5 occ:0.25 O C:HOH385 2.2 18.6 0.2 OD1 C:ASN148 2.7 11.4 1.0 OE1 C:GLN151 3.0 10.6 1.0 O C:HOH456 3.2 6.9 0.2 CG C:ASN148 3.7 12.3 1.0 CD C:GLN151 4.0 10.3 1.0 ND2 C:ASN148 4.1 12.5 1.0 NE2 C:GLN151 4.3 9.7 1.0 O C:HOH434 4.6 27.1 1.0 CB C:ASN148 4.9 10.3 1.0

A.Dwivedy, B.Jha, K.H.Singh, M.Ahmad, A.Ashraf, D.Kumar, B.K.Biswal. Serendipitous Crystallization and Structure Determination of Bacterioferritin From Achromobacter. Acta Crystallogr F Struct V. 74 558 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30198888
DOI: 10.1107/S2053230X18009809