Iron in PDB 6gur: Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc

The structure of Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc, PDB code: 6gur was solved by F.Ecker, H.Haas, M.Groll, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.740, 89.990, 129.810, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.8

The binding sites of Iron atom in the Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc (pdb code 6gur). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc, PDB code: 6gur:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe902 b:97.2 occ:1.00 O3 A:FN8901 2.0 68.1 1.0 O71 A:FN8901 2.1 69.0 1.0 C14 A:FN8901 2.7 67.7 1.0 N3 A:FN8901 2.8 65.2 1.0 O81 A:FN8901 3.7 74.1 1.0 O83 A:FN8901 4.0 75.6 1.0 C10 A:FN8901 4.2 62.2 1.0 C72 A:FN8901 4.2 67.8 1.0 C80 A:FN8901 4.7 72.1 1.0 N82 A:FN8901 4.9 73.6 1.0 C91 A:FN8901 5.0 69.0 1.0

Iron binding site 2 out of 2 in the Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Siderophore Hydrolase Estb From Aspergillus Fumigatus in Complex with Tafc within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe902 b:92.5 occ:1.00 O71 B:FN8901 2.1 61.3 1.0 O3 B:FN8901 2.4 59.1 1.0 C14 B:FN8901 2.6 59.6 1.0 N3 B:FN8901 2.8 57.6 1.0 O81 B:FN8901 3.5 68.4 1.0 C72 B:FN8901 3.9 59.9 1.0 C10 B:FN8901 4.1 55.0 1.0 O83 B:FN8901 4.2 71.1 1.0 C80 B:FN8901 4.4 67.5 1.0 C8 B:FN8901 4.7 50.4 1.0 C9 B:FN8901 4.8 52.4 1.0 N82 B:FN8901 4.8 68.5 1.0

F.Ecker, H.Haas, M.Groll, E.M.Huber. Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights Into Fungal Siderophore Esterases. Angew. Chem. Int. Ed. Engl. V. 57 14624 2018.
ISSN: ESSN 1521-3773
PubMed: 30070018
DOI: 10.1002/ANIE.201807093