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Iron in PDB 4tof: 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa

Enzymatic activity of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa

All present enzymatic activity of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa:
1.16.3.1;

Protein crystallography data

The structure of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa, PDB code: 4tof was solved by S.Lovell, K.P.Battaile, H.Yao, R.Kumar, K.Eshelman, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.10 / 1.65
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 158.568, 158.568, 152.381, 90.00, 90.00, 120.00
R / Rfree (%) 14.5 / 16.2

Other elements in 4tof:

The structure of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Potassium (K) 1 atom
Sodium (Na) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa (pdb code 4tof). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa, PDB code: 4tof:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4tof

Go back to Iron Binding Sites List in 4tof
Iron binding site 1 out of 4 in the 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:16.5
occ:0.50
 FE A:HEM201 0.0 16.5 0.5
FE A:HEM201 0.3 16.6 0.5
ND A:HEM201 1.8 15.5 0.5
NC A:HEM201 1.9 16.1 0.5
NA A:HEM201 2.0 15.9 0.5
NB A:HEM201 2.0 15.7 0.5
NC A:HEM201 2.1 15.4 0.5
ND A:HEM201 2.1 17.3 0.5
NA A:HEM201 2.2 17.4 0.5
NB A:HEM201 2.3 15.2 0.5
SD A:MET52 2.4 16.3 1.0
SD B:MET52 2.4 15.4 1.0
C1D A:HEM201 2.8 16.4 0.5
C4C A:HEM201 2.8 15.4 0.5
C4D A:HEM201 2.9 17.2 0.5
C1C A:HEM201 3.0 17.9 0.5
C4A A:HEM201 3.0 16.7 0.5
C1A A:HEM201 3.0 17.2 0.5
C1B A:HEM201 3.1 16.0 0.5
C4B A:HEM201 3.1 18.4 0.5
C4D A:HEM201 3.1 17.4 0.5
C1C A:HEM201 3.1 15.5 0.5
C1D A:HEM201 3.1 17.7 0.5
C4C A:HEM201 3.1 15.6 0.5
C1A A:HEM201 3.1 17.4 0.5
CHD A:HEM201 3.1 17.6 0.5
CE A:MET52 3.3 17.9 1.0
C4B A:HEM201 3.3 16.1 0.5
C4A A:HEM201 3.3 17.9 0.5
C1B A:HEM201 3.4 15.4 0.5
CHA A:HEM201 3.4 19.0 0.5
CHB A:HEM201 3.4 17.2 0.5
CHA A:HEM201 3.4 19.0 0.5
CE B:MET52 3.4 17.6 1.0
CHC A:HEM201 3.4 19.1 0.5
CHD A:HEM201 3.5 18.2 0.5
CG B:MET52 3.5 14.5 1.0
CHC A:HEM201 3.5 19.1 0.5
CG A:MET52 3.6 14.8 1.0
CHB A:HEM201 3.7 17.9 0.5
C2D A:HEM201 4.0 17.9 0.5
C3C A:HEM201 4.1 14.9 0.5
C3D A:HEM201 4.1 17.8 0.5
C2C A:HEM201 4.2 16.4 0.5
CB B:MET52 4.2 13.5 1.0
C3A A:HEM201 4.2 18.1 0.5
C2A A:HEM201 4.2 17.8 0.5
C3B A:HEM201 4.3 16.0 0.5
C2B A:HEM201 4.3 15.5 0.5
C3D A:HEM201 4.3 19.0 0.5
C2C A:HEM201 4.3 17.7 0.5
C3C A:HEM201 4.3 17.2 0.5
C2D A:HEM201 4.3 19.0 0.5
CB A:MET52 4.3 13.1 1.0
C2A A:HEM201 4.4 19.0 0.5
C3A A:HEM201 4.5 19.0 0.5
C3B A:HEM201 4.5 18.5 0.5
C2B A:HEM201 4.6 16.6 0.5

Iron binding site 2 out of 4 in 4tof

Go back to Iron Binding Sites List in 4tof
Iron binding site 2 out of 4 in the 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:16.6
occ:0.50
 FE A:HEM201 0.0 16.6 0.5
FE A:HEM201 0.3 16.5 0.5
NC A:HEM201 1.8 15.4 0.5
ND A:HEM201 1.9 17.3 0.5
NC A:HEM201 2.0 16.1 0.5
NA A:HEM201 2.0 17.4 0.5
NB A:HEM201 2.0 15.2 0.5
ND A:HEM201 2.1 15.5 0.5
NB A:HEM201 2.2 15.7 0.5
NA A:HEM201 2.3 15.9 0.5
SD B:MET52 2.4 15.4 1.0
SD A:MET52 2.4 16.3 1.0
C4C A:HEM201 2.8 15.6 0.5
C1D A:HEM201 2.8 17.7 0.5
C1C A:HEM201 2.9 15.5 0.5
C1C A:HEM201 3.0 17.9 0.5
C4D A:HEM201 3.0 17.4 0.5
C4C A:HEM201 3.0 15.4 0.5
C4B A:HEM201 3.0 16.1 0.5
C4A A:HEM201 3.0 17.9 0.5
C1B A:HEM201 3.1 15.4 0.5
C1A A:HEM201 3.1 17.4 0.5
C1D A:HEM201 3.1 16.4 0.5
C4D A:HEM201 3.1 17.2 0.5
C4B A:HEM201 3.1 18.4 0.5
CHD A:HEM201 3.1 18.2 0.5
CE B:MET52 3.2 17.6 1.0
C1A A:HEM201 3.2 17.2 0.5
C1B A:HEM201 3.3 16.0 0.5
C4A A:HEM201 3.3 16.7 0.5
CHC A:HEM201 3.4 19.1 0.5
CHC A:HEM201 3.4 19.1 0.5
CHD A:HEM201 3.4 17.6 0.5
CE A:MET52 3.4 17.9 1.0
CHB A:HEM201 3.4 17.9 0.5
CHA A:HEM201 3.5 19.0 0.5
CHA A:HEM201 3.5 19.0 0.5
CG A:MET52 3.5 14.8 1.0
CG B:MET52 3.5 14.5 1.0
CHB A:HEM201 3.7 17.2 0.5
C3C A:HEM201 4.0 17.2 0.5
C2C A:HEM201 4.1 17.7 0.5
C2D A:HEM201 4.1 19.0 0.5
C3D A:HEM201 4.2 19.0 0.5
CB A:MET52 4.2 13.1 1.0
C2C A:HEM201 4.2 16.4 0.5
C2A A:HEM201 4.3 19.0 0.5
C3A A:HEM201 4.3 19.0 0.5
C3C A:HEM201 4.3 14.9 0.5
C2B A:HEM201 4.3 16.6 0.5
C3B A:HEM201 4.3 18.5 0.5
CB B:MET52 4.3 13.5 1.0
C2D A:HEM201 4.3 17.9 0.5
C3D A:HEM201 4.3 17.8 0.5
C3B A:HEM201 4.4 16.0 0.5
C2B A:HEM201 4.5 15.5 0.5
C2A A:HEM201 4.5 17.8 0.5
C3A A:HEM201 4.5 18.1 0.5

Iron binding site 3 out of 4 in 4tof

Go back to Iron Binding Sites List in 4tof
Iron binding site 3 out of 4 in the 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:17.3
occ:0.50
 FE C:HEM201 0.0 17.3 0.5
NB C:HEM201 2.0 17.4 0.5
NA C:HEM201 2.0 16.2 0.5
NC C:HEM201 2.1 16.2 0.5
ND C:HEM201 2.1 16.4 0.5
SD C:MET52 2.2 16.5 1.0
C1A C:HEM201 3.1 16.6 0.5
C4B C:HEM201 3.1 19.9 0.5
C1B C:HEM201 3.1 17.5 0.5
C4A C:HEM201 3.1 18.9 0.5
C1C C:HEM201 3.1 18.4 0.5
C1D C:HEM201 3.1 19.2 0.5
C4D C:HEM201 3.1 16.6 0.5
C4C C:HEM201 3.1 17.8 0.5
CE C:MET52 3.2 18.7 1.0
CG C:MET52 3.3 14.7 1.0
CHA C:HEM201 3.4 18.0 0.5
CHC C:HEM201 3.4 19.2 0.5
CHD C:HEM201 3.4 19.6 0.5
CHB C:HEM201 3.4 18.9 0.5
CB C:MET52 4.0 14.8 1.0
C3A C:HEM201 4.3 17.4 0.5
C2A C:HEM201 4.3 17.8 0.5
C2B C:HEM201 4.3 16.1 0.5
C3B C:HEM201 4.3 20.0 0.5
C2C C:HEM201 4.3 18.9 0.5
C2D C:HEM201 4.3 17.4 0.5
C3C C:HEM201 4.3 16.3 0.5
C3D C:HEM201 4.3 17.8 0.5

Iron binding site 4 out of 4 in 4tof

Go back to Iron Binding Sites List in 4tof
Iron binding site 4 out of 4 in the 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 1.65A Resolution Structure of Bfrb (C89S, K96C) Crystal Form 1 From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:16.9
occ:0.50
 FE D:HEM201 0.0 16.9 0.5
NC D:HEM201 2.0 17.7 0.5
ND D:HEM201 2.0 17.7 0.5
NB D:HEM201 2.1 17.5 0.5
NA D:HEM201 2.1 18.2 0.5
SD D:MET52 2.4 16.8 1.0
C4C D:HEM201 3.0 17.8 0.5
C1D D:HEM201 3.0 19.4 0.5
C1C D:HEM201 3.0 17.9 0.5
C4D D:HEM201 3.0 17.8 0.5
C1A D:HEM201 3.1 17.0 0.5
C4B D:HEM201 3.1 18.0 0.5
C1B D:HEM201 3.2 17.8 0.5
C4A D:HEM201 3.2 18.5 0.5
CHD D:HEM201 3.3 17.3 0.5
CHA D:HEM201 3.4 18.5 0.5
CHC D:HEM201 3.4 18.3 0.5
CE D:MET52 3.5 17.7 1.0
CG D:MET52 3.5 16.4 1.0
CHB D:HEM201 3.6 17.1 0.5
CB D:MET52 4.1 15.1 1.0
C3C D:HEM201 4.2 17.3 0.5
C2D D:HEM201 4.2 18.5 0.5
C2C D:HEM201 4.2 18.9 0.5
C3D D:HEM201 4.3 18.9 0.5
C2A D:HEM201 4.3 19.6 0.5
C3B D:HEM201 4.4 18.2 0.5
C3A D:HEM201 4.4 17.1 0.5
C2B D:HEM201 4.4 17.5 0.5

Reference:

H.Yao, H.Rui, R.Kumar, K.Eshelman, S.Lovell, K.P.Battaile, W.Im, M.Rivera. Concerted Motions Networking Pores and Distant Ferroxidase Centers Enable Bacterioferritin Function and Iron Traffic. Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25640193
DOI: 10.1021/BI501255R
Page generated: Mon Aug 5 11:49:20 2024

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