Atomistry » Iron » PDB 7fc0-7k5f » 7k5e
Atomistry »
  Iron »
    PDB 7fc0-7k5f »
      7k5e »

Iron in PDB 7k5e: 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7

Enzymatic activity of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7

All present enzymatic activity of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7:
1.16.3.1;

Protein crystallography data

The structure of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7, PDB code: 7k5e was solved by S.Lovell, K.P.Battaile, A.Soldano, A.Punchi-Hewage, K.Meraz, J.K.Annor-Gyamfi, H.Yao, R.A.Bunce, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.36 / 1.75
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 129.852, 194.284, 203.140, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 21.3

Other elements in 7k5e:

The structure of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Potassium (K) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 (pdb code 7k5e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7, PDB code: 7k5e:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in 7k5e

Go back to Iron Binding Sites List in 7k5e
Iron binding site 1 out of 7 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:25.6
occ:1.00
FE A:HEM202 0.0 25.6 1.0
NB A:HEM202 2.0 20.6 1.0
NC A:HEM202 2.0 27.9 1.0
ND A:HEM202 2.0 26.3 1.0
NA A:HEM202 2.1 25.1 1.0
SD A:MET52 2.4 23.6 1.0
C4D A:HEM202 3.0 27.7 1.0
C1D A:HEM202 3.1 22.0 1.0
C4B A:HEM202 3.1 25.1 1.0
C1B A:HEM202 3.1 21.9 1.0
C4C A:HEM202 3.1 25.1 1.0
C1A A:HEM202 3.1 24.2 1.0
C1C A:HEM202 3.1 26.4 1.0
C4A A:HEM202 3.1 22.1 1.0
CE A:MET52 3.4 19.6 1.0
CHA A:HEM202 3.4 28.2 1.0
CHD A:HEM202 3.4 22.2 1.0
CHC A:HEM202 3.4 24.0 1.0
CHB A:HEM202 3.5 23.9 1.0
CG A:MET52 3.5 23.6 1.0
CB A:MET52 4.2 22.4 1.0
C3D A:HEM202 4.2 24.9 1.0
C2D A:HEM202 4.3 22.5 1.0
C3B A:HEM202 4.3 25.6 1.0
C2B A:HEM202 4.3 25.5 1.0
C3C A:HEM202 4.3 27.4 1.0
C2C A:HEM202 4.3 26.3 1.0
C2A A:HEM202 4.3 24.9 1.0
C3A A:HEM202 4.3 23.9 1.0

Iron binding site 2 out of 7 in 7k5e

Go back to Iron Binding Sites List in 7k5e
Iron binding site 2 out of 7 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe202

b:25.6
occ:1.00
FE B:HEM202 0.0 25.6 1.0
NA B:HEM202 2.0 21.7 1.0
NB B:HEM202 2.0 22.4 1.0
NC B:HEM202 2.1 25.4 1.0
ND B:HEM202 2.1 25.1 1.0
SD E:MET52 2.4 25.3 1.0
SD B:MET52 2.4 24.2 1.0
C1B B:HEM202 3.0 23.0 1.0
C4A B:HEM202 3.1 24.4 1.0
C1A B:HEM202 3.1 27.2 1.0
C4B B:HEM202 3.1 26.7 1.0
C1C B:HEM202 3.1 28.5 1.0
C4D B:HEM202 3.1 25.2 1.0
C4C B:HEM202 3.1 28.2 1.0
C1D B:HEM202 3.1 29.7 1.0
CE B:MET52 3.4 23.7 1.0
CHC B:HEM202 3.4 29.8 1.0
CHA B:HEM202 3.4 25.4 1.0
CHB B:HEM202 3.4 23.9 1.0
CE E:MET52 3.5 22.5 1.0
CG E:MET52 3.5 25.7 1.0
CHD B:HEM202 3.5 31.2 1.0
CG B:MET52 3.6 27.1 1.0
CB B:MET52 4.2 23.9 1.0
CB E:MET52 4.2 21.0 1.0
C3B B:HEM202 4.3 29.3 1.0
C3A B:HEM202 4.3 25.5 1.0
C2B B:HEM202 4.3 24.0 1.0
C2A B:HEM202 4.3 25.3 1.0
C3D B:HEM202 4.3 26.1 1.0
C3C B:HEM202 4.3 27.1 1.0
C2D B:HEM202 4.3 29.2 1.0
C2C B:HEM202 4.3 28.4 1.0

Iron binding site 3 out of 7 in 7k5e

Go back to Iron Binding Sites List in 7k5e
Iron binding site 3 out of 7 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:25.4
occ:1.00
FE C:HEM201 0.0 25.4 1.0
NB C:HEM201 2.0 24.7 1.0
NC C:HEM201 2.0 27.4 1.0
NA C:HEM201 2.0 26.4 1.0
ND C:HEM201 2.1 22.6 1.0
SD C:MET52 2.4 20.9 1.0
SD I:MET52 2.4 21.5 1.0
C4B C:HEM201 3.0 29.6 1.0
C1B C:HEM201 3.0 24.9 1.0
C1A C:HEM201 3.0 25.7 1.0
C4A C:HEM201 3.0 20.0 1.0
C1C C:HEM201 3.0 25.9 1.0
C4C C:HEM201 3.0 27.3 1.0
C1D C:HEM201 3.1 25.2 1.0
C4D C:HEM201 3.1 25.9 1.0
CE C:MET52 3.3 23.1 1.0
CHB C:HEM201 3.4 23.1 1.0
CE I:MET52 3.4 18.6 1.0
CHC C:HEM201 3.4 28.6 1.0
CHD C:HEM201 3.4 27.3 1.0
CHA C:HEM201 3.4 26.7 1.0
CG I:MET52 3.5 20.8 1.0
CG C:MET52 3.5 20.8 1.0
CB I:MET52 4.2 18.1 1.0
CB C:MET52 4.2 18.2 1.0
C2A C:HEM201 4.2 22.7 1.0
C3B C:HEM201 4.2 29.6 1.0
C3C C:HEM201 4.3 28.9 1.0
C3A C:HEM201 4.3 23.0 1.0
C2B C:HEM201 4.3 30.4 1.0
C2C C:HEM201 4.3 26.2 1.0
C2D C:HEM201 4.3 22.2 1.0
C3D C:HEM201 4.3 23.4 1.0

Iron binding site 4 out of 7 in 7k5e

Go back to Iron Binding Sites List in 7k5e
Iron binding site 4 out of 7 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe202

b:27.1
occ:0.50
FE D:HEM202 0.0 27.1 0.5
NC D:HEM202 2.0 23.3 0.5
NB D:HEM202 2.1 23.3 0.5
NA D:HEM202 2.1 23.8 0.5
ND D:HEM202 2.1 23.8 0.5
SD D:MET52 2.4 22.7 1.0
C1C D:HEM202 3.0 26.2 0.5
C4B D:HEM202 3.1 26.1 0.5
C1A D:HEM202 3.1 27.0 0.5
C4D D:HEM202 3.1 27.0 0.5
C4C D:HEM202 3.1 25.8 0.5
C4A D:HEM202 3.1 26.1 0.5
C1B D:HEM202 3.1 25.8 0.5
C1D D:HEM202 3.1 26.0 0.5
CE D:MET52 3.2 25.6 1.0
CHC D:HEM202 3.4 24.4 0.5
CHA D:HEM202 3.4 23.6 0.5
CHB D:HEM202 3.5 26.8 0.5
CHD D:HEM202 3.5 26.9 0.5
CG D:MET52 3.5 23.0 1.0
CB D:MET52 4.2 21.0 1.0
C2C D:HEM202 4.3 27.3 0.5
C3B D:HEM202 4.3 27.2 0.5
C2A D:HEM202 4.3 25.5 0.5
C2B D:HEM202 4.3 25.6 0.5
C3C D:HEM202 4.3 25.1 0.5
C3A D:HEM202 4.3 23.7 0.5
C3D D:HEM202 4.3 25.5 0.5
C2D D:HEM202 4.3 23.7 0.5

Iron binding site 5 out of 7 in 7k5e

Go back to Iron Binding Sites List in 7k5e
Iron binding site 5 out of 7 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe201

b:24.3
occ:1.00
FE F:HEM201 0.0 24.3 1.0
ND F:HEM201 2.0 24.6 1.0
NC F:HEM201 2.0 22.1 1.0
NB F:HEM201 2.0 24.2 1.0
NA F:HEM201 2.1 26.5 1.0
SD K:MET52 2.3 21.6 1.0
SD F:MET52 2.3 22.3 1.0
C4D F:HEM201 3.0 25.9 1.0
C1C F:HEM201 3.0 24.6 1.0
C4B F:HEM201 3.0 22.3 1.0
C4C F:HEM201 3.0 22.9 1.0
C1D F:HEM201 3.0 26.1 1.0
C1A F:HEM201 3.1 25.4 1.0
C1B F:HEM201 3.1 27.9 1.0
C4A F:HEM201 3.1 21.8 1.0
CE F:MET52 3.3 24.8 1.0
CE K:MET52 3.3 23.4 1.0
CHC F:HEM201 3.4 21.6 1.0
CHA F:HEM201 3.4 27.8 1.0
CHD F:HEM201 3.4 25.2 1.0
CG K:MET52 3.5 21.8 1.0
CHB F:HEM201 3.5 26.1 1.0
CG F:MET52 3.5 23.5 1.0
C3D F:HEM201 4.2 23.0 1.0
C2C F:HEM201 4.2 23.2 1.0
CB K:MET52 4.2 23.5 1.0
CB F:MET52 4.2 22.2 1.0
C2D F:HEM201 4.2 22.9 1.0
C3C F:HEM201 4.2 24.3 1.0
C3B F:HEM201 4.3 24.8 1.0
C2A F:HEM201 4.3 24.5 1.0
C2B F:HEM201 4.3 24.3 1.0
C3A F:HEM201 4.3 23.9 1.0

Iron binding site 6 out of 7 in 7k5e

Go back to Iron Binding Sites List in 7k5e
Iron binding site 6 out of 7 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe201

b:20.9
occ:1.00
FE H:HEM201 0.0 20.9 1.0
NC H:HEM201 2.0 18.5 1.0
NB H:HEM201 2.0 18.4 1.0
NA H:HEM201 2.0 19.2 1.0
ND H:HEM201 2.1 20.1 1.0
SD J:MET52 2.3 18.8 1.0
SD H:MET52 2.4 18.8 1.0
C4C H:HEM201 3.0 24.0 1.0
C1A H:HEM201 3.0 18.2 1.0
C1B H:HEM201 3.1 21.5 1.0
C1C H:HEM201 3.1 22.0 1.0
C1D H:HEM201 3.1 20.6 1.0
C4B H:HEM201 3.1 17.6 1.0
C4D H:HEM201 3.1 19.0 1.0
C4A H:HEM201 3.1 20.3 1.0
CE H:MET52 3.3 21.4 1.0
CE J:MET52 3.4 19.5 1.0
CHD H:HEM201 3.4 20.9 1.0
CHA H:HEM201 3.4 22.9 1.0
CHC H:HEM201 3.5 22.7 1.0
CHB H:HEM201 3.5 19.1 1.0
CG J:MET52 3.5 19.3 1.0
CG H:MET52 3.6 22.2 1.0
CB J:MET52 4.2 14.8 1.0
C3C H:HEM201 4.2 23.2 1.0
CB H:MET52 4.2 17.1 1.0
C2C H:HEM201 4.3 19.6 1.0
C3B H:HEM201 4.3 19.9 1.0
C2A H:HEM201 4.3 22.8 1.0
C2D H:HEM201 4.3 23.2 1.0
C3D H:HEM201 4.3 19.4 1.0
C2B H:HEM201 4.3 20.0 1.0
C3A H:HEM201 4.3 23.0 1.0

Iron binding site 7 out of 7 in 7k5e

Go back to Iron Binding Sites List in 7k5e
Iron binding site 7 out of 7 in the 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of 1.75 A Resolution Structure of Wt Bfrb From Pseudomonas Aeruginosa in Complex with A Protein-Protein Interaction Inhibitor Jag-5-7 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Fe201

b:24.0
occ:0.50
FE L:HEM201 0.0 24.0 0.5
NA L:HEM201 2.0 29.1 0.5
NB L:HEM201 2.0 28.6 0.5
NC L:HEM201 2.1 26.1 0.5
ND L:HEM201 2.1 29.2 0.5
SD L:MET52 2.4 31.2 1.0
CE L:MET52 3.0 23.9 1.0
C1A L:HEM201 3.0 30.1 0.5
C4A L:HEM201 3.0 28.6 0.5
C4B L:HEM201 3.0 27.2 0.5
C1B L:HEM201 3.0 24.4 0.5
C1C L:HEM201 3.1 27.9 0.5
C4D L:HEM201 3.1 30.0 0.5
C4C L:HEM201 3.1 27.0 0.5
C1D L:HEM201 3.2 27.5 0.5
CHB L:HEM201 3.4 24.2 0.5
CHC L:HEM201 3.4 27.7 0.5
CHA L:HEM201 3.4 30.1 0.5
CHD L:HEM201 3.5 24.2 0.5
CG L:MET52 3.7 26.0 1.0
C2A L:HEM201 4.2 30.0 0.5
C3A L:HEM201 4.2 29.7 0.5
C3B L:HEM201 4.2 28.0 0.5
C2B L:HEM201 4.2 28.3 0.5
C2C L:HEM201 4.3 24.1 0.5
C3D L:HEM201 4.3 31.6 0.5
C3C L:HEM201 4.3 27.8 0.5
C2D L:HEM201 4.4 27.4 0.5
CB L:MET52 4.5 28.2 1.0
CD1 L:ILE49 5.0 34.3 1.0

Reference:

A.Soldano, H.Yao, A.N.D.Punchi Hewage, K.Meraz, J.K.Annor-Gyamfi, R.A.Bunce, K.P.Battaile, S.Lovell, M.Rivera. Small Molecule Inhibitors of the Bacterioferritin (Bfrb)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas Aeruginosa Cells. Acs Infect Dis. 2020.
ISSN: ESSN 2373-8227
PubMed: 33269912
DOI: 10.1021/ACSINFECDIS.0C00669
Page generated: Thu Aug 8 06:03:19 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy