Iron in PDB 5tcy: A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni.

The structure of A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni., PDB code: 5tcy was solved by E.J.Wilde, E.Blagova, A.Hughes, D.J.Raines, O.V.Moroz, J.P.Turkenburg, A.-K.Duhme-Klair, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.13 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	58.696, 62.881, 69.867, 82.09, 74.67, 77.60
R / Rfree (%)	17.1 / 21.5

The binding sites of Iron atom in the A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni. (pdb code 5tcy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni., PDB code: 5tcy:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:30.1 occ:1.00 OH A:TYR288 1.9 22.8 1.0 O26 A:5LC402 2.1 31.0 1.0 O24 A:5LC402 2.1 29.9 1.0 O23 A:5LC402 2.1 30.9 1.0 O25 A:5LC402 2.1 36.0 1.0 O A:HOH511 2.1 73.6 1.0 C2 A:5LC402 2.9 33.8 1.0 C3 A:5LC402 2.9 37.2 1.0 C19 A:5LC402 3.0 32.0 1.0 C18 A:5LC402 3.0 31.2 1.0 CZ A:TYR288 3.0 29.1 1.0 CE2 A:TYR288 3.5 30.6 1.0 NH2 A:ARG249 3.9 37.0 1.0 OE1 A:GLN98 4.0 41.0 1.0 CE1 A:TYR288 4.0 28.6 1.0 NH2 A:ARG118 4.1 28.5 1.0 NE A:ARG249 4.1 31.8 1.0 NE A:ARG118 4.2 28.8 1.0 C1 A:5LC402 4.2 33.3 1.0 C4 A:5LC402 4.3 40.6 1.0 C16 A:5LC402 4.3 33.9 1.0 C20 A:5LC402 4.3 29.2 1.0 NH1 A:ARG205 4.4 31.6 1.0 CZ A:ARG249 4.4 34.1 1.0 NH2 A:ARG205 4.5 33.1 1.0 N14 A:5LC402 4.5 37.2 1.0 CZ A:ARG118 4.6 29.4 1.0 N8 A:5LC402 4.6 41.9 1.0 CD2 A:TYR288 4.8 27.5 1.0 CZ A:ARG205 4.9 32.8 1.0 C15 A:5LC402 5.0 34.6 1.0

Iron binding site 2 out of 3 in the A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:33.2 occ:1.00 O26 B:5LC402 1.9 29.7 1.0 O24 B:5LC402 2.0 31.7 1.0 O B:HOH503 2.0 38.7 1.0 OH B:TYR288 2.0 33.6 1.0 O25 B:5LC402 2.1 28.1 1.0 O23 B:5LC402 2.2 36.2 1.0 C2 B:5LC402 2.8 32.4 1.0 C19 B:5LC402 2.9 36.3 1.0 C3 B:5LC402 2.9 33.9 1.0 C18 B:5LC402 2.9 40.2 1.0 CZ B:TYR288 3.0 26.2 1.0 O B:HOH501 3.4 47.0 1.0 CE2 B:TYR288 3.6 26.3 1.0 O B:HOH543 3.9 33.8 1.0 NH1 B:ARG118 4.0 38.2 1.0 CE1 B:TYR288 4.0 28.0 1.0 NH1 B:ARG249 4.1 38.6 1.0 NE B:ARG249 4.1 27.9 1.0 C1 B:5LC402 4.1 33.7 1.0 C20 B:5LC402 4.2 35.7 1.0 C4 B:5LC402 4.3 35.2 1.0 NH2 B:ARG205 4.3 43.0 0.5 C16 B:5LC402 4.3 38.6 1.0 NH1 B:ARG205 4.4 43.4 0.5 NH2 B:ARG205 4.5 15.8 0.5 CZ B:ARG249 4.6 36.5 1.0 NH1 B:ARG205 4.6 17.5 0.5 N8 B:5LC402 4.7 41.0 1.0 N14 B:5LC402 4.7 42.3 1.0 CZ B:ARG205 4.9 43.4 0.5 CD2 B:TYR288 4.9 24.7 1.0 CD B:ARG118 5.0 42.1 1.0

Iron binding site 3 out of 3 in the A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A Complex of the Synthetic Siderophore Analogue Fe(III)-5-Licam with Ceue (H227L Variant), A Periplasmic Protein From Campylobacter Jejuni. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe401 b:31.4 occ:1.00 O26 C:5LC402 1.9 27.3 1.0 OH C:TYR288 1.9 28.6 1.0 O25 C:5LC402 2.0 30.1 1.0 O23 C:5LC402 2.1 30.6 1.0 O24 C:5LC402 2.1 27.7 1.0 C2 C:5LC402 2.8 28.0 1.0 C3 C:5LC402 2.8 28.8 1.0 CZ C:TYR288 2.8 25.2 1.0 C18 C:5LC402 2.9 31.9 1.0 C19 C:5LC402 2.9 29.8 1.0 CE1 C:TYR288 3.2 26.8 1.0 O C:HOH524 3.6 34.2 1.0 NE C:ARG249 3.7 25.7 1.0 CE2 C:TYR288 4.0 26.1 1.0 NH1 C:ARG205 4.0 36.6 1.0 NH2 C:ARG205 4.1 33.7 1.0 C1 C:5LC402 4.1 31.3 1.0 NH2 C:ARG118 4.2 38.1 1.0 C4 C:5LC402 4.2 32.6 1.0 C16 C:5LC402 4.2 35.2 1.0 C20 C:5LC402 4.3 30.3 1.0 CD C:ARG249 4.4 23.7 1.0 N14 C:5LC402 4.4 43.1 1.0 CD1 C:TYR288 4.5 23.7 1.0 CZ C:ARG205 4.5 34.1 1.0 CZ C:ARG249 4.6 27.2 1.0 NH1 C:ARG249 4.6 29.1 1.0 N8 C:5LC402 4.7 33.7 1.0 NE2 C:GLN98 4.9 53.2 1.0 C15 C:5LC402 4.9 42.7 1.0

E.J.Wilde, A.Hughes, E.V.Blagova, O.V.Moroz, R.P.Thomas, J.P.Turkenburg, D.J.Raines, A.K.Duhme-Klair, K.S.Wilson. Interactions of the Periplasmic Binding Protein Ceue with Fe(III) N-Licam(4-) Siderophore Analogues of Varied Linker Length. Sci Rep V. 7 45941 2017.
ISSN: ESSN 2045-2322
PubMed: 28383577
DOI: 10.1038/SREP45941