Iron in PDB 5ono: Crystal Structure of Ectoine Synthase From P. Lautus

All present enzymatic activity of Crystal Structure of Ectoine Synthase From P. Lautus:
4.2.1.108;

The structure of Crystal Structure of Ectoine Synthase From P. Lautus, PDB code: 5ono was solved by E.Bremer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.01 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.418, 71.418, 68.838, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 24

The binding sites of Iron atom in the Crystal Structure of Ectoine Synthase From P. Lautus (pdb code 5ono). 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 Crystal Structure of Ectoine Synthase From P. Lautus, PDB code: 5ono:

Iron binding site 1 out of 1 in the Crystal Structure of Ectoine Synthase From P. Lautus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Ectoine Synthase From P. Lautus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:86.1 occ:1.00 HAA3 A:4CS202 2.2 21.1 1.0 HAA2 A:4CS202 2.3 21.1 1.0 CAA A:4CS202 2.6 17.6 1.0 OH A:TYR84 2.8 9.0 1.0 HAA1 A:4CS202 2.8 21.1 1.0 OE1 A:GLU57 2.9 16.3 1.0 NE2 A:HIS92 3.0 17.6 1.0 HE1 A:TYR84 3.0 14.1 1.0 HG21 A:VAL59 3.1 11.4 1.0 HD13 A:ILE50 3.3 14.5 1.0 HD11 A:LEU86 3.3 22.5 1.0 HD12 A:ILE50 3.3 14.5 1.0 HH A:TYR84 3.4 10.8 1.0 HD22 A:LEU94 3.5 16.8 1.0 HG21 A:ILE50 3.5 17.0 1.0 CE1 A:TYR84 3.7 11.7 1.0 CZ A:TYR84 3.7 16.5 1.0 CD1 A:ILE50 3.7 12.1 1.0 HE2 A:TYR52 3.8 17.8 1.0 CD A:GLU57 3.8 17.2 1.0 CE1 A:HIS92 3.9 21.0 1.0 HE1 A:HIS92 3.9 25.2 1.0 HD12 A:LEU86 4.0 22.5 1.0 CAI A:4CS202 4.0 34.5 1.0 CG2 A:VAL59 4.0 9.5 1.0 CD2 A:HIS92 4.0 21.2 1.0 CD1 A:LEU86 4.0 18.8 1.0 OE2 A:GLU57 4.0 17.7 1.0 HD2 A:HIS92 4.1 25.4 1.0 HG23 A:VAL59 4.2 11.4 1.0 HD13 A:LEU86 4.2 22.5 1.0 HG22 A:VAL59 4.2 11.4 1.0 HD11 A:ILE50 4.3 14.5 1.0 HD12 A:ILE68 4.4 23.8 1.0 CG2 A:ILE50 4.5 14.2 1.0 HB2 A:LEU94 4.5 8.9 1.0 CD2 A:LEU94 4.5 14.0 1.0 HB A:ILE50 4.6 23.8 1.0 HD13 A:LEU94 4.6 14.3 1.0 HNAG A:4CS202 4.7 71.2 1.0 HG11 A:VAL59 4.7 8.7 1.0 CE2 A:TYR52 4.7 14.8 1.0 HH A:TYR52 4.8 20.5 1.0 NAG A:4CS202 4.8 59.3 1.0 HG22 A:ILE50 4.8 17.0 1.0 N A:4CS202 4.9 60.4 1.0 HD23 A:LEU94 4.9 16.8 1.0 CB A:ILE50 4.9 19.8 1.0 CG1 A:ILE50 4.9 20.1 1.0 HD21 A:LEU94 4.9 16.8 1.0 CD1 A:TYR84 5.0 8.4 1.0

L.Czech, A.Hoppner, S.Kobus, A.Seubert, R.Riclea, J.S.Dickschat, J.Heider, S.H.J.Smits, E.Bremer. Illuminating the Catalytic Core of Ectoine Synthase Through Structural and Biochemical Analysis. Sci Rep V. 9 364 2019.
ISSN: ESSN 2045-2322
PubMed: 30674920
DOI: 10.1038/S41598-018-36247-W