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Iron in PDB 4tob: 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa

Enzymatic activity of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa

All present enzymatic activity of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa:
1.16.3.1;

Protein crystallography data

The structure of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa, PDB code: 4tob 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) 49.34 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 125.669, 203.154, 207.792, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 18.8

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa (pdb code 4tob). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa, PDB code: 4tob:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 4tob

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Iron binding site 1 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) 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 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:14.5
occ:1.00
FE B:HEM201 0.0 14.5 1.0
NA B:HEM201 2.0 11.9 1.0
NB B:HEM201 2.0 13.3 1.0
NC B:HEM201 2.1 15.6 1.0
ND B:HEM201 2.1 15.3 1.0
SD B:MET52 2.4 13.1 1.0
SD A:MET52 2.4 13.4 1.0
C4B B:HEM201 3.0 12.8 1.0
C1A B:HEM201 3.0 13.3 1.0
C1C B:HEM201 3.0 11.8 1.0
C4D B:HEM201 3.0 16.0 1.0
C4A B:HEM201 3.1 12.1 1.0
C1B B:HEM201 3.1 11.1 1.0
C4C B:HEM201 3.1 13.1 1.0
C1D B:HEM201 3.1 13.9 1.0
CE A:MET52 3.3 13.3 1.0
CHA B:HEM201 3.4 12.2 1.0
CHC B:HEM201 3.4 12.3 1.0
CE B:MET52 3.4 14.0 1.0
CHB B:HEM201 3.5 13.7 1.0
CG B:MET52 3.5 16.6 1.0
CHD B:HEM201 3.5 13.6 1.0
CG A:MET52 3.5 11.6 1.0
CB B:MET52 4.2 11.4 1.0
CB A:MET52 4.2 13.5 1.0
C3B B:HEM201 4.2 13.8 1.0
C2A B:HEM201 4.3 15.3 1.0
C3A B:HEM201 4.3 16.4 1.0
C2C B:HEM201 4.3 13.4 1.0
C2B B:HEM201 4.3 13.2 1.0
C3D B:HEM201 4.3 14.6 1.0
C3C B:HEM201 4.3 11.8 1.0
C2D B:HEM201 4.4 13.6 1.0

Iron binding site 2 out of 12 in 4tob

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Iron binding site 2 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) 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 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:14.2
occ:1.00
FE C:HEM201 0.0 14.2 1.0
NC C:HEM201 2.0 11.5 1.0
NB C:HEM201 2.0 13.9 1.0
NA C:HEM201 2.1 12.0 1.0
ND C:HEM201 2.1 15.0 1.0
SD C:MET52 2.3 12.9 1.0
SD D:MET52 2.4 13.8 1.0
C1C C:HEM201 3.0 16.2 1.0
C4B C:HEM201 3.0 13.9 1.0
C4D C:HEM201 3.0 16.1 1.0
C4C C:HEM201 3.1 13.1 1.0
C1A C:HEM201 3.1 16.3 1.0
C1B C:HEM201 3.1 12.7 1.0
C1D C:HEM201 3.1 15.5 1.0
C4A C:HEM201 3.1 16.1 1.0
CHC C:HEM201 3.4 13.7 1.0
CE C:MET52 3.4 12.8 1.0
CHA C:HEM201 3.4 14.6 1.0
CE D:MET52 3.4 15.2 1.0
CHD C:HEM201 3.5 14.6 1.0
CG C:MET52 3.5 12.0 1.0
CHB C:HEM201 3.5 15.9 1.0
CG D:MET52 3.5 14.3 1.0
CB C:MET52 4.2 12.4 1.0
CB D:MET52 4.2 12.7 1.0
C2C C:HEM201 4.3 16.4 1.0
C3B C:HEM201 4.3 13.5 1.0
C3C C:HEM201 4.3 16.2 1.0
C3D C:HEM201 4.3 13.1 1.0
C2B C:HEM201 4.3 12.7 1.0
C2A C:HEM201 4.3 15.5 1.0
C3A C:HEM201 4.3 15.5 1.0
C2D C:HEM201 4.3 14.3 1.0

Iron binding site 3 out of 12 in 4tob

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Iron binding site 3 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) 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 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe201

b:14.3
occ:1.00
FE F:HEM201 0.0 14.3 1.0
NB F:HEM201 2.0 13.6 1.0
NA F:HEM201 2.0 14.1 1.0
NC F:HEM201 2.0 14.8 1.0
ND F:HEM201 2.1 14.0 1.0
SD E:MET52 2.4 14.1 1.0
SD F:MET52 2.4 14.0 1.0
C4D F:HEM201 3.0 15.2 1.0
C1A F:HEM201 3.0 14.3 1.0
C1C F:HEM201 3.0 14.5 1.0
C4B F:HEM201 3.0 12.8 1.0
C1B F:HEM201 3.1 13.6 1.0
C4C F:HEM201 3.1 13.1 1.0
C4A F:HEM201 3.1 15.8 1.0
C1D F:HEM201 3.1 10.8 1.0
CHA F:HEM201 3.4 14.1 1.0
CHC F:HEM201 3.4 15.7 1.0
CE E:MET52 3.4 12.6 1.0
CE F:MET52 3.5 9.5 1.0
CHB F:HEM201 3.5 14.0 1.0
CHD F:HEM201 3.5 11.9 1.0
CG F:MET52 3.5 11.4 1.0
CG E:MET52 3.5 13.8 1.0
CB F:MET52 4.2 13.0 1.0
CB E:MET52 4.2 12.8 1.0
C2C F:HEM201 4.3 13.3 1.0
C2A F:HEM201 4.3 16.4 1.0
C3B F:HEM201 4.3 15.4 1.0
C3C F:HEM201 4.3 14.1 1.0
C3D F:HEM201 4.3 13.8 1.0
C2B F:HEM201 4.3 12.4 1.0
C3A F:HEM201 4.3 14.3 1.0
C2D F:HEM201 4.3 12.1 1.0

Iron binding site 4 out of 12 in 4tob

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Iron binding site 4 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) 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 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe201

b:13.7
occ:1.00
FE H:HEM201 0.0 13.7 1.0
NB H:HEM201 2.0 13.1 1.0
NC H:HEM201 2.0 13.9 1.0
NA H:HEM201 2.1 12.7 1.0
ND H:HEM201 2.1 14.0 1.0
SD H:MET52 2.3 12.4 1.0
SD G:MET52 2.4 11.9 1.0
C4B H:HEM201 3.0 11.3 1.0
C1C H:HEM201 3.1 12.1 1.0
C1A H:HEM201 3.1 14.9 1.0
C4D H:HEM201 3.1 13.8 1.0
C1B H:HEM201 3.1 13.9 1.0
C4A H:HEM201 3.1 13.0 1.0
C4C H:HEM201 3.1 12.9 1.0
C1D H:HEM201 3.1 13.5 1.0
CE G:MET52 3.4 13.5 1.0
CE H:MET52 3.4 11.9 1.0
CHA H:HEM201 3.4 14.0 1.0
CHC H:HEM201 3.4 15.4 1.0
CHB H:HEM201 3.4 12.5 1.0
CHD H:HEM201 3.4 13.9 1.0
CG H:MET52 3.5 12.5 1.0
CG G:MET52 3.5 11.8 1.0
CB H:MET52 4.2 12.3 1.0
CB G:MET52 4.3 10.3 1.0
C2A H:HEM201 4.3 12.7 1.0
C3A H:HEM201 4.3 16.5 1.0
C3B H:HEM201 4.3 12.9 1.0
C2C H:HEM201 4.3 13.1 1.0
C3C H:HEM201 4.3 11.7 1.0
C3D H:HEM201 4.3 13.3 1.0
C2B H:HEM201 4.3 11.6 1.0
C2D H:HEM201 4.3 12.8 1.0

Iron binding site 5 out of 12 in 4tob

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Iron binding site 5 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Fe201

b:15.5
occ:1.00
FE J:HEM201 0.0 15.5 1.0
NC J:HEM201 2.0 14.4 1.0
NB J:HEM201 2.0 12.9 1.0
ND J:HEM201 2.1 14.8 1.0
NA J:HEM201 2.1 15.1 1.0
SD J:MET52 2.4 14.4 1.0
SD I:MET52 2.4 14.5 1.0
C4D J:HEM201 3.0 16.0 1.0
C1A J:HEM201 3.0 20.4 1.0
C4B J:HEM201 3.0 13.7 1.0
C4C J:HEM201 3.1 12.8 1.0
C1C J:HEM201 3.1 17.0 1.0
C1D J:HEM201 3.1 16.2 1.0
C1B J:HEM201 3.1 16.1 1.0
C4A J:HEM201 3.1 13.7 1.0
CHA J:HEM201 3.4 14.6 1.0
CHC J:HEM201 3.4 15.8 1.0
CE J:MET52 3.4 13.4 1.0
CE I:MET52 3.4 15.9 1.0
CHD J:HEM201 3.4 16.3 1.0
CG I:MET52 3.5 14.5 1.0
CHB J:HEM201 3.5 16.4 1.0
CG J:MET52 3.5 12.9 1.0
CB I:MET52 4.2 11.8 1.0
CB J:MET52 4.2 14.7 1.0
C3B J:HEM201 4.3 19.2 1.0
C2A J:HEM201 4.3 15.7 1.0
C3C J:HEM201 4.3 13.7 1.0
C3D J:HEM201 4.3 15.0 1.0
C2C J:HEM201 4.3 14.4 1.0
C2D J:HEM201 4.3 17.0 1.0
C3A J:HEM201 4.3 16.1 1.0
C2B J:HEM201 4.3 15.4 1.0

Iron binding site 6 out of 12 in 4tob

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Iron binding site 6 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Fe201

b:16.2
occ:1.00
FE K:HEM201 0.0 16.2 1.0
NC K:HEM201 2.0 14.4 1.0
ND K:HEM201 2.0 14.4 1.0
NB K:HEM201 2.0 15.6 1.0
NA K:HEM201 2.0 14.0 1.0
SD L:MET52 2.4 16.0 1.0
SD K:MET52 2.4 15.0 1.0
C1A K:HEM201 3.0 18.6 1.0
C4D K:HEM201 3.0 19.1 1.0
C1C K:HEM201 3.0 17.1 1.0
C4B K:HEM201 3.0 15.1 1.0
C4C K:HEM201 3.1 16.2 1.0
C1D K:HEM201 3.1 17.5 1.0
C4A K:HEM201 3.1 15.6 1.0
C1B K:HEM201 3.1 16.3 1.0
CHA K:HEM201 3.4 19.8 1.0
CHC K:HEM201 3.4 16.1 1.0
CE L:MET52 3.4 15.5 1.0
CE K:MET52 3.4 12.8 1.0
CHD K:HEM201 3.4 15.4 1.0
CG K:MET52 3.5 14.5 1.0
CHB K:HEM201 3.5 15.8 1.0
CG L:MET52 3.5 14.4 1.0
CB K:MET52 4.2 14.5 1.0
CB L:MET52 4.2 14.8 1.0
C2A K:HEM201 4.3 16.2 1.0
C2C K:HEM201 4.3 18.3 1.0
C3D K:HEM201 4.3 17.3 1.0
C3C K:HEM201 4.3 15.8 1.0
C3B K:HEM201 4.3 19.6 1.0
C2D K:HEM201 4.3 15.4 1.0
C3A K:HEM201 4.3 17.0 1.0
C2B K:HEM201 4.3 16.6 1.0

Iron binding site 7 out of 12 in 4tob

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Iron binding site 7 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe201

b:14.1
occ:1.00
FE N:HEM201 0.0 14.1 1.0
NB N:HEM201 2.0 14.3 1.0
ND N:HEM201 2.0 13.2 1.0
NC N:HEM201 2.0 17.1 1.0
NA N:HEM201 2.1 13.7 1.0
SD N:MET52 2.3 14.2 1.0
SD M:MET52 2.4 14.2 1.0
C4D N:HEM201 3.0 15.8 1.0
C1A N:HEM201 3.0 14.8 1.0
C1B N:HEM201 3.0 17.7 1.0
C4B N:HEM201 3.0 16.0 1.0
C1C N:HEM201 3.1 16.5 1.0
C4C N:HEM201 3.1 13.5 1.0
C4A N:HEM201 3.1 16.4 1.0
C1D N:HEM201 3.1 14.5 1.0
CE N:MET52 3.3 13.2 1.0
CHA N:HEM201 3.4 12.5 1.0
CE M:MET52 3.4 13.4 1.0
CHC N:HEM201 3.4 16.0 1.0
CHB N:HEM201 3.4 14.3 1.0
CHD N:HEM201 3.5 16.5 1.0
CG N:MET52 3.5 13.5 1.0
CG M:MET52 3.5 18.2 1.0
CB N:MET52 4.2 13.3 1.0
CB M:MET52 4.2 15.1 1.0
C3B N:HEM201 4.3 16.1 1.0
C2B N:HEM201 4.3 16.1 1.0
C2A N:HEM201 4.3 18.4 1.0
C3D N:HEM201 4.3 13.2 1.0
C2C N:HEM201 4.3 14.7 1.0
C3C N:HEM201 4.3 14.4 1.0
C3A N:HEM201 4.3 19.2 1.0
C2D N:HEM201 4.3 14.1 1.0

Iron binding site 8 out of 12 in 4tob

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Iron binding site 8 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Fe201

b:14.3
occ:1.00
FE O:HEM201 0.0 14.3 1.0
NC O:HEM201 2.0 13.1 1.0
NA O:HEM201 2.0 12.3 1.0
NB O:HEM201 2.1 14.8 1.0
ND O:HEM201 2.1 16.1 1.0
SD P:MET52 2.4 15.0 1.0
SD O:MET52 2.4 13.9 1.0
C1A O:HEM201 3.0 12.1 1.0
C4C O:HEM201 3.0 15.1 1.0
C4D O:HEM201 3.0 13.1 1.0
C1C O:HEM201 3.1 14.0 1.0
C4B O:HEM201 3.1 14.6 1.0
C1D O:HEM201 3.1 16.0 1.0
C4A O:HEM201 3.1 13.9 1.0
C1B O:HEM201 3.1 13.0 1.0
CHA O:HEM201 3.4 13.7 1.0
CE O:MET52 3.4 12.4 1.0
CHD O:HEM201 3.4 13.7 1.0
CHC O:HEM201 3.4 16.9 1.0
CE P:MET52 3.4 12.7 1.0
CHB O:HEM201 3.5 13.7 1.0
CG P:MET52 3.5 15.2 1.0
CG O:MET52 3.5 12.8 1.0
CB O:MET52 4.2 12.8 1.0
CB P:MET52 4.2 13.5 1.0
C3C O:HEM201 4.3 15.1 1.0
C2A O:HEM201 4.3 13.8 1.0
C3D O:HEM201 4.3 11.7 1.0
C3B O:HEM201 4.3 14.4 1.0
C2C O:HEM201 4.3 15.0 1.0
C3A O:HEM201 4.3 17.3 1.0
C2D O:HEM201 4.3 14.3 1.0
C2B O:HEM201 4.3 15.6 1.0

Iron binding site 9 out of 12 in 4tob

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Iron binding site 9 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Fe201

b:15.4
occ:1.00
FE Q:HEM201 0.0 15.4 1.0
NB Q:HEM201 2.0 14.1 1.0
NC Q:HEM201 2.0 20.0 1.0
NA Q:HEM201 2.1 17.4 1.0
ND Q:HEM201 2.1 18.4 1.0
SD R:MET52 2.3 14.4 1.0
SD Q:MET52 2.4 15.5 1.0
C4B Q:HEM201 3.0 18.3 1.0
C1C Q:HEM201 3.0 16.0 1.0
C4D Q:HEM201 3.0 18.9 1.0
C1A Q:HEM201 3.1 16.0 1.0
C1B Q:HEM201 3.1 16.4 1.0
C4A Q:HEM201 3.1 16.0 1.0
C4C Q:HEM201 3.1 14.6 1.0
C1D Q:HEM201 3.1 18.7 1.0
CE R:MET52 3.3 17.2 1.0
CHC Q:HEM201 3.3 16.0 1.0
CHA Q:HEM201 3.4 17.1 1.0
CHB Q:HEM201 3.5 13.7 1.0
CE Q:MET52 3.5 15.6 1.0
CG Q:MET52 3.5 16.2 1.0
CHD Q:HEM201 3.5 18.1 1.0
CG R:MET52 3.5 14.8 1.0
CB Q:MET52 4.2 16.4 1.0
CB R:MET52 4.2 16.5 1.0
C3B Q:HEM201 4.2 14.7 1.0
C2C Q:HEM201 4.3 17.0 1.0
C2B Q:HEM201 4.3 15.1 1.0
C3D Q:HEM201 4.3 17.7 1.0
C2A Q:HEM201 4.3 17.3 1.0
C3C Q:HEM201 4.3 19.4 1.0
C3A Q:HEM201 4.3 19.7 1.0
C2D Q:HEM201 4.3 19.9 1.0

Iron binding site 10 out of 12 in 4tob

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Iron binding site 10 out of 12 in the 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of 1.95A Resolution Structure of Bfrb (Q151L) From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Fe201

b:16.9
occ:1.00
FE T:HEM201 0.0 16.9 1.0
NB T:HEM201 2.0 17.0 1.0
NC T:HEM201 2.0 17.2 1.0
NA T:HEM201 2.0 15.1 1.0
ND T:HEM201 2.1 15.1 1.0
SD T:MET52 2.3 16.9 1.0
SD S:MET52 2.4 16.0 1.0
C4B T:HEM201 3.0 16.9 1.0
C1C T:HEM201 3.0 15.8 1.0
C1A T:HEM201 3.0 16.7 1.0
C4D T:HEM201 3.0 17.1 1.0
C1B T:HEM201 3.1 18.4 1.0
C4A T:HEM201 3.1 18.2 1.0
C4C T:HEM201 3.1 17.1 1.0
C1D T:HEM201 3.2 15.9 1.0
CHC T:HEM201 3.3 16.3 1.0
CHA T:HEM201 3.3 16.7 1.0
CE T:MET52 3.4 13.7 1.0
CE S:MET52 3.4 15.1 1.0
CG T:MET52 3.5 16.1 1.0
CHB T:HEM201 3.5 18.7 1.0
CG S:MET52 3.5 14.1 1.0
CHD T:HEM201 3.6 16.7 1.0
CB T:MET52 4.2 15.2 1.0
CB S:MET52 4.2 16.4 1.0
C2A T:HEM201 4.2 20.0 1.0
C3B T:HEM201 4.2 16.1 1.0
C2C T:HEM201 4.3 17.6 1.0
C3A T:HEM201 4.3 16.6 1.0
C2B T:HEM201 4.3 16.1 1.0
C3D T:HEM201 4.3 15.0 1.0
C3C T:HEM201 4.3 15.4 1.0
C2D T:HEM201 4.4 15.9 1.0

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 10:22:47 2024

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