Iron in PDB 2chu: Ceue in Complex with Mecam

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

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

Zinc

(Zn)

2 atoms

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 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 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

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