Iron in PDB 1qjq: Ferric Hydroxamate Receptor From Escherichia Coli (Fhua)

The structure of Ferric Hydroxamate Receptor From Escherichia Coli (Fhua), PDB code: 1qjq was solved by A.D.Ferguson, V.Braun, H.-P.Fiedler, J.W.Coulton, K.Diederichs, W.Welte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.95
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	172.100, 172.100, 87.650, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 27.8

The structure of Ferric Hydroxamate Receptor From Escherichia Coli (Fhua) also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Iron atom in the Ferric Hydroxamate Receptor From Escherichia Coli (Fhua) (pdb code 1qjq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Ferric Hydroxamate Receptor From Escherichia Coli (Fhua), PDB code: 1qjq:

Iron binding site 1 out of 1 in the Ferric Hydroxamate Receptor From Escherichia Coli (Fhua)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric Hydroxamate Receptor From Escherichia Coli (Fhua) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1022 b:51.8 occ:1.00 FE A:PFC1022 0.0 51.8 1.0 O11 A:PFC1022 2.0 51.1 1.0 O14 A:PFC1022 2.0 55.1 1.0 O10 A:PFC1022 2.0 53.3 1.0 O6 A:PFC1022 2.0 56.6 1.0 O3 A:PFC1022 2.0 59.1 1.0 O8 A:PFC1022 2.1 58.5 1.0 C6 A:PFC1022 2.8 56.8 1.0 N6 A:PFC1022 2.8 56.0 1.0 C9 A:PFC1022 2.8 61.4 1.0 C3 A:PFC1022 2.8 54.1 1.0 N8 A:PFC1022 2.8 58.6 1.0 N5 A:PFC1022 2.8 51.4 1.0 N3 A:PFC1022 4.1 52.6 1.0 NH1 A:ARG81 4.1 51.6 1.0 C32 A:PFC1022 4.1 53.2 1.0 C34 A:PFC1022 4.2 56.1 1.0 NH2 A:ARG81 4.2 52.4 1.0 C35 A:PFC1022 4.2 52.8 1.0 C21 A:PFC1022 4.2 57.4 1.0 C30 A:PFC1022 4.2 49.1 1.0 N1 A:PFC1022 4.2 58.8 1.0 CE2 A:TYR244 4.2 42.1 1.0 C36 A:PFC1022 4.2 47.9 1.0 C37 A:PFC1022 4.2 58.8 1.0 C24 A:PFC1022 4.3 46.0 1.0 CZ2 A:TRP246 4.3 49.1 1.0 OH A:TYR116 4.4 63.4 1.0 C18 A:PFC1022 4.4 44.7 1.0 OH A:TYR244 4.4 42.9 1.0 C13 A:PFC1022 4.6 58.2 1.0 NE1 A:TRP246 4.6 50.2 1.0 C29 A:PFC1022 4.7 51.7 1.0 CZ A:ARG81 4.7 51.1 1.0 C25 A:PFC1022 4.7 43.2 1.0 CZ A:TYR244 4.7 41.0 1.0 CE1 A:TYR116 4.8 61.7 1.0 C27 A:PFC1022 4.8 59.5 1.0 CG A:GLN100 4.8 55.6 1.0 C4 A:PFC1022 4.8 59.8 1.0 CE2 A:TRP246 4.8 49.5 1.0 CZ A:TYR116 4.9 62.1 1.0 C10 A:PFC1022 4.9 49.6 1.0

A.D.Ferguson, V.Braun, H.P.Fiedler, J.W.Coulton, K.Diederichs, W.Welte. Crystal Structure of the Antibiotic Albomycin in Complex with the Outer Membrane Transporter Fhua. Protein Sci. V. 9 956 2000.
ISSN: ISSN 0961-8368
PubMed: 10850805
DOI: 10.1110/PS.9.5.956