Iron in PDB 4jo0: Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae

The structure of Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae, PDB code: 4jo0 was solved by C.J.Knoot, T.M.Makris, C.M.Wilmot, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.66 / 2.17
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	153.158, 153.158, 93.356, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.3

The structure of Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae (pdb code 4jo0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae, PDB code: 4jo0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae


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 Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:42.2 occ:1.00 O A:O603 1.7 44.5 1.0 OD2 A:ASP403 2.0 54.7 1.0 ND1 A:HIS307 2.0 39.6 1.0 OE2 A:GLU377 2.2 40.5 1.0 OE1 A:GLU377 2.2 45.5 1.0 NE2 A:HIS305 2.2 41.2 1.0 CD A:GLU377 2.5 41.8 1.0 CE1 A:HIS307 3.0 39.2 1.0 CG A:HIS307 3.1 36.7 1.0 CD2 A:HIS305 3.1 42.7 1.0 CG A:ASP403 3.1 52.7 1.0 CE1 A:HIS305 3.3 46.5 1.0 FE A:FE602 3.4 47.6 0.8 CB A:HIS307 3.5 38.8 1.0 CB A:ASP403 3.7 59.9 1.0 CG A:GLU377 4.0 41.7 1.0 NE2 A:HIS307 4.1 40.8 1.0 OD1 A:ASP403 4.1 59.0 1.0 NE2 A:HIS310 4.2 40.0 1.0 CD2 A:HIS307 4.2 36.9 1.0 O A:ACT604 4.2 57.9 0.8 CD2 A:HIS310 4.3 42.6 1.0 CG A:HIS305 4.3 40.6 1.0 ND1 A:HIS305 4.4 46.1 1.0 OD1 A:ASP309 4.5 40.7 1.0 O A:GLU377 4.9 33.0 1.0 CE1 A:HIS378 4.9 40.9 1.0 CB A:GLU377 4.9 38.2 1.0 CE1 A:HIS310 5.0 40.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cmla, A Diiron Beta-Hydroxylase From Streptomyces Venezuelae within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:47.6 occ:0.75 OD2 A:ASP309 2.0 50.7 1.0 O A:ACT604 2.1 57.9 0.8 O A:O603 2.1 44.5 1.0 OXT A:ACT604 2.3 57.5 0.8 NE2 A:HIS310 2.3 40.0 1.0 C A:ACT604 2.4 67.8 0.8 OD2 A:ASP403 2.6 54.7 1.0 CG A:ASP309 2.8 44.2 1.0 OD1 A:ASP309 2.9 40.7 1.0 OD1 A:ASP403 3.0 59.0 1.0 CD2 A:HIS310 3.0 42.6 1.0 CG A:ASP403 3.2 52.7 1.0 FE A:FE601 3.4 42.2 1.0 CE1 A:HIS310 3.5 40.8 1.0 CH3 A:ACT604 3.9 63.9 0.8 NE2 A:HIS258 4.0 54.4 1.0 OE2 A:GLU377 4.2 40.5 1.0 CB A:ASP309 4.3 44.3 1.0 CG A:HIS310 4.3 39.9 1.0 NE2 A:HIS305 4.4 41.2 1.0 ND1 A:HIS310 4.5 40.6 1.0 CE1 A:HIS305 4.6 46.5 1.0 CB A:ASP403 4.6 59.9 1.0 CE1 A:HIS258 4.7 54.3 1.0 CB A:HIS307 4.8 38.8 1.0 ND1 A:HIS307 4.8 39.6 1.0

T.M.Makris, C.J.Knoot, C.M.Wilmot, J.D.Lipscomb. Structure of A Dinuclear Iron Cluster-Containing Beta-Hydroxylase Active in Antibiotic Biosynthesis. Biochemistry V. 52 6662 2013.
ISSN: ISSN 0006-2960
PubMed: 23980641
DOI: 10.1021/BI400845B