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Barium in PDB 5zur: Achromobacter DH1F Bacterioferritin

Protein crystallography data

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

Other elements in 5zur:

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

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

Barium Binding Sites:

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 5zur

Go back to Barium Binding Sites List in 5zur
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 5zur

Go back to Barium Binding Sites List in 5zur
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 5zur

Go back to Barium Binding Sites List in 5zur
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

Reference:

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
Page generated: Wed Jul 10 15:53:49 2024

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