Iron in PDB 9ex3: Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid

The structure of Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid, PDB code: 9ex3 was solved by L.Moynie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.07 / 2.15
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	84.939, 86.308, 88.287, 90.01, 61.63, 66.33
R / Rfree (%)	22.9 / 26.4

The structure of Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid also contains other interesting chemical elements:

Potassium

(K)

6 atoms

The binding sites of Iron atom in the Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid (pdb code 9ex3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid, PDB code: 9ex3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe813 b:31.7 occ:1.00 O01 B:J9F806 1.9 32.0 1.0 N09 B:J9F806 2.0 31.1 1.0 N09 B:J9F801 2.1 30.2 1.0 O1 B:J9F806 2.1 30.0 1.0 O01 B:J9F801 2.2 32.1 1.0 O1 B:J9F801 2.5 30.5 1.0 C11 B:J9F806 2.8 30.8 1.0 C10 B:J9F806 2.9 28.8 1.0 C10 B:J9F801 2.9 35.2 1.0 C08 B:J9F806 3.1 34.3 1.0 C11 B:J9F801 3.1 29.3 1.0 C02 B:J9F806 3.1 30.9 1.0 C08 B:J9F801 3.1 36.1 1.0 C02 B:J9F801 3.3 26.3 1.0 C07 B:J9F806 3.5 26.9 1.0 C07 B:J9F801 3.6 27.3 1.0 O13 B:J9F806 4.0 38.8 1.0 NH2 B:ARG334 4.0 16.5 1.0 ND2 B:ASN400 4.1 21.5 1.0 C14 B:J9F806 4.1 27.9 1.0 C14 B:J9F801 4.2 30.2 1.0 O13 B:J9F801 4.2 33.5 1.0 C03 B:J9F806 4.3 35.0 1.0 C03 B:J9F801 4.5 24.4 1.0 CZ B:PHE460 4.5 29.8 1.0 NE2 B:GLN417 4.5 26.5 1.0 S15 B:J9F806 4.6 41.8 1.0 S15 B:J9F801 4.7 28.9 1.0 O B:HOH902 4.9 31.9 1.0 C06 B:J9F806 4.9 33.6 1.0 OD1 B:ASN400 4.9 29.1 1.0 CG B:ASN400 5.0 28.8 1.0 C06 B:J9F801 5.0 25.1 1.0

Iron binding site 2 out of 2 in the Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferric-Mycobactin Receptor (Fema) in Complex with Dihydroaeruginoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe812 b:28.1 occ:1.00 O01 A:J9F807 1.9 30.1 1.0 N09 A:J9F807 2.0 31.9 1.0 N09 A:J9F802 2.1 29.4 1.0 O01 A:J9F802 2.2 27.6 1.0 O1 A:J9F807 2.2 28.1 1.0 O1 A:J9F802 2.2 28.9 1.0 C11 A:J9F807 2.9 29.1 1.0 C10 A:J9F807 3.0 30.6 1.0 C02 A:J9F807 3.0 30.2 1.0 C08 A:J9F807 3.0 30.8 1.0 C11 A:J9F802 3.0 30.8 1.0 C10 A:J9F802 3.1 29.4 1.0 C08 A:J9F802 3.1 31.6 1.0 C02 A:J9F802 3.2 28.2 1.0 C07 A:J9F807 3.4 27.6 1.0 C07 A:J9F802 3.6 25.2 1.0 NH2 A:ARG334 4.0 19.9 1.0 ND2 A:ASN400 4.0 22.8 1.0 O13 A:J9F807 4.0 43.1 1.0 C14 A:J9F807 4.1 36.0 1.0 C03 A:J9F807 4.2 32.7 1.0 O13 A:J9F802 4.2 31.9 1.0 C14 A:J9F802 4.2 29.6 1.0 C03 A:J9F802 4.5 26.4 1.0 NE2 A:GLN417 4.5 21.0 1.0 S15 A:J9F807 4.5 48.6 1.0 CZ A:PHE460 4.6 27.4 1.0 S15 A:J9F802 4.7 27.6 1.0 C06 A:J9F807 4.8 32.0 1.0 OD1 A:ASN400 4.9 28.9 1.0 CG A:ASN400 4.9 30.4 1.0 C06 A:J9F802 5.0 16.5 1.0

L.Moynie, G.Mislin, I.Schalk. Fema Outer Membrane Transporter Facilitates Uptake of Ferric Dihydro-Aeruginoic Acid and Ferric Aeruginoic Acid in Pseudomonas Aeruginosa To Be Published.