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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.

Protein crystallography data

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

Iron Binding Sites:

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 5tcy

Go back to Iron Binding Sites List in 5tcy
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 5tcy

Go back to Iron Binding Sites List in 5tcy
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 5tcy

Go back to Iron Binding Sites List in 5tcy
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

Reference:

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
Page generated: Tue Aug 6 08:54:55 2024

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