Iron in PDB 1ds1: Crystal Structure of Clavaminate Synthase in Complex with Fe(II) and 2-Oxoglutarate

The structure of Crystal Structure of Clavaminate Synthase in Complex with Fe(II) and 2-Oxoglutarate, PDB code: 1ds1 was solved by Z.H.Zhang, J.Ren, D.K.Stammers, J.E.Baldwin, K.Harlos, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.080, 67.940, 68.870, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / 16.6

The binding sites of Iron atom in the Crystal Structure of Clavaminate Synthase in Complex with Fe(II) and 2-Oxoglutarate (pdb code 1ds1). 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 Clavaminate Synthase in Complex with Fe(II) and 2-Oxoglutarate, PDB code: 1ds1:

Iron binding site 1 out of 1 in the Crystal Structure of Clavaminate Synthase in Complex with Fe(II) and 2-Oxoglutarate


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 Clavaminate Synthase in Complex with Fe(II) and 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe341 b:9.7 occ:1.00 O1 A:AKG330 2.0 14.8 1.0 OE1 A:GLU146 2.1 9.0 1.0 NE2 A:HIS279 2.1 8.4 1.0 NE2 A:HIS144 2.1 9.6 1.0 O5 A:AKG330 2.2 11.2 1.0 O A:HOH487 2.2 22.0 1.0 C1 A:AKG330 2.8 11.6 1.0 C2 A:AKG330 2.9 10.9 1.0 CE1 A:HIS279 3.0 8.7 1.0 CD A:GLU146 3.1 11.9 1.0 CE1 A:HIS144 3.1 9.1 1.0 CD2 A:HIS279 3.1 9.0 1.0 CD2 A:HIS144 3.2 9.2 1.0 OE2 A:GLU146 3.4 15.6 1.0 O2 A:AKG330 4.1 17.0 1.0 ND1 A:HIS279 4.2 8.4 1.0 ND1 A:HIS144 4.3 9.2 1.0 CG A:HIS279 4.3 7.5 1.0 CG A:HIS144 4.3 9.5 1.0 C3 A:AKG330 4.4 11.3 1.0 CG A:GLU146 4.5 8.5 1.0 CB A:GLU146 4.8 7.4 1.0 NH1 A:ARG297 4.9 19.4 1.0

Z.Zhang, J.Ren, D.K.Stammers, J.E.Baldwin, K.Harlos, C.J.Schofield. Structural Origins of the Selectivity of the Trifunctional Oxygenase Clavaminic Acid Synthase. Nat.Struct.Biol. V. 7 127 2000.
ISSN: ISSN 1072-8368
PubMed: 10655615
DOI: 10.1038/72398