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Iron in PDB 2chu: Ceue in Complex with Mecam

Protein crystallography data

The structure of Ceue in Complex with Mecam, PDB code: 2chu was solved by A.Muller, A.J.Wilkinson, K.S.Wilson, A.K.Duhme-Klair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.17 / 2.40
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 73.072, 42.445, 57.523, 91.29, 97.06, 107.34
R / Rfree (%) 17 / 24.6

Other elements in 2chu:

The structure of Ceue in Complex with Mecam also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Ceue in Complex with Mecam (pdb code 2chu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ceue in Complex with Mecam, PDB code: 2chu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2chu

Go back to Iron Binding Sites List in 2chu
Iron binding site 1 out of 2 in the Ceue in Complex with Mecam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ceue in Complex with Mecam within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1313

b:41.2
occ:1.00
O42 B:ECA1311 1.8 46.9 1.0
O41 B:ECA1311 1.9 48.7 1.0
O30 B:ECA1311 2.0 38.1 1.0
O20 B:ECA1312 2.1 40.8 1.0
O19 B:ECA1312 2.1 39.0 1.0
O31 B:ECA1311 2.2 40.4 1.0
C39 B:ECA1311 2.7 46.6 1.0
C40 B:ECA1311 2.7 46.3 1.0
C29 B:ECA1311 2.9 41.8 1.0
C17 B:ECA1312 2.9 39.1 1.0
C28 B:ECA1311 2.9 40.6 1.0
C18 B:ECA1312 2.9 41.2 1.0
OH B:TYR288 3.5 51.0 1.0
C38 B:ECA1311 4.0 44.3 1.0
C35 B:ECA1311 4.1 47.0 1.0
NE B:ARG118 4.1 48.7 1.0
NH2 B:ARG205 4.1 61.8 1.0
NE2 B:GLN98 4.2 53.3 1.0
C24 B:ECA1311 4.2 41.9 1.0
C27 B:ECA1311 4.2 40.5 1.0
C16 B:ECA1312 4.2 37.3 1.0
NH1 B:ARG205 4.3 68.5 1.0
C13 B:ECA1312 4.3 39.3 1.0
NH2 B:ARG249 4.3 50.7 1.0
NH2 B:ARG118 4.4 49.1 1.0
CZ B:TYR288 4.4 53.7 1.0
N32 B:ECA1311 4.6 44.4 1.0
N21 B:ECA1311 4.6 47.3 1.0
CZ B:ARG205 4.7 64.3 1.0
N10 B:ECA1312 4.7 37.6 1.0
CZ B:ARG118 4.7 50.6 1.0
C33 B:ECA1311 4.8 46.4 1.0
CE1 B:TYR288 4.8 53.8 1.0
C22 B:ECA1311 5.0 43.5 1.0
C37 B:ECA1311 5.0 48.4 1.0

Iron binding site 2 out of 2 in 2chu

Go back to Iron Binding Sites List in 2chu
Iron binding site 2 out of 2 in the Ceue in Complex with Mecam


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ceue in Complex with Mecam within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1314

b:44.3
occ:1.00
O31 B:ECA1312 1.7 51.9 1.0
O41 B:ECA1312 2.0 38.1 1.0
O20 B:ECA1311 2.1 40.0 1.0
O42 B:ECA1312 2.2 38.5 1.0
O30 B:ECA1312 2.2 52.6 1.0
O19 B:ECA1311 2.2 38.6 1.0
C28 B:ECA1312 2.7 53.0 1.0
C29 B:ECA1312 2.8 52.9 1.0
C40 B:ECA1312 2.9 39.1 1.0
C17 B:ECA1311 2.9 40.9 1.0
C18 B:ECA1311 2.9 39.4 1.0
C39 B:ECA1312 2.9 40.8 1.0
OH A:TYR288 3.5 52.2 1.0
C27 B:ECA1312 4.0 51.7 1.0
NH1 A:ARG205 4.1 67.1 1.0
NE A:ARG118 4.1 50.1 1.0
NE2 A:GLN98 4.1 55.1 1.0
C24 B:ECA1312 4.2 52.8 1.0
C35 B:ECA1312 4.2 40.4 1.0
C16 B:ECA1311 4.2 40.0 1.0
C13 B:ECA1311 4.3 39.4 1.0
C38 B:ECA1312 4.3 41.8 1.0
NH2 A:ARG205 4.3 62.1 1.0
NH2 A:ARG118 4.3 48.1 1.0
NH2 A:ARG249 4.4 54.9 1.0
CZ A:TYR288 4.4 53.6 1.0
N32 B:ECA1312 4.5 44.9 1.0
N10 B:ECA1311 4.6 38.8 1.0
CZ A:ARG205 4.7 63.2 1.0
CZ A:ARG118 4.7 49.1 1.0
N21 B:ECA1312 4.7 46.0 1.0
C33 B:ECA1312 4.9 42.5 1.0
C22 B:ECA1312 4.9 50.5 1.0
CE1 A:TYR288 5.0 52.8 1.0
C11 B:ECA1311 5.0 40.5 1.0

Reference:

A.Muller, A.J.Wilkinson, K.S.Wilson, A.K.Duhme-Klair. An [{Fe(Mecam)}(2)](6-) Bridge in the Crystal Structure of A Ferric Enterobactin Binding Protein. Angew.Chem.Int.Ed.Engl. V. 45 5132 2006.
ISSN: ISSN 1433-7851
PubMed: 16927323
DOI: 10.1002/ANIE.200601198
Page generated: Sun Dec 13 14:41:57 2020

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