Iron in PDB 4zpi: Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound

The structure of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound, PDB code: 4zpi was solved by K.M.Mcculloch, E.K.Mccranie, M.Sarwar, J.L.Mathieu, B.L.Gitschlag, Y.Du, B.O.Bachmann, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.67 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.400, 108.989, 221.584, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.5

The binding sites of Iron atom in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound (pdb code 4zpi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound, PDB code: 4zpi:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound


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 Hygx From Streptomyces Hygroscopicus with Iron Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:42.6 occ:0.43 NE2 A:HIS102 2.3 36.2 1.0 NE2 A:HIS206 2.5 33.6 1.0 CE1 A:HIS206 3.0 34.1 1.0 CE1 A:HIS102 3.1 37.0 1.0 OE1 A:GLU202 3.2 49.1 1.0 OE2 A:GLU202 3.2 43.2 1.0 CD2 A:HIS102 3.4 31.7 1.0 NZ A:LYS137 3.4 40.3 1.0 CD A:GLU202 3.6 40.4 1.0 CD2 A:HIS206 3.7 28.4 1.0 ND1 A:HIS206 4.2 30.2 1.0 ND1 A:HIS102 4.3 33.1 1.0 CG A:HIS102 4.5 31.6 1.0 CG A:HIS206 4.6 33.1 1.0 CE A:LYS137 4.7 35.9 1.0 CD2 A:LEU200 4.7 32.8 1.0 CD A:LYS137 4.9 37.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound


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 Hygx From Streptomyces Hygroscopicus with Iron Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:81.4 occ:1.00 NE2 B:HIS206 2.3 42.5 1.0 NE2 B:HIS102 2.3 48.9 1.0 O3 B:SIN302 2.5 70.0 1.0 CE1 B:HIS102 3.1 41.5 1.0 CE1 B:HIS206 3.1 34.7 1.0 C4 B:SIN302 3.3 67.9 1.0 O4 B:SIN302 3.3 54.3 1.0 CD2 B:HIS206 3.3 36.8 1.0 CD2 B:HIS102 3.5 41.1 1.0 NZ B:LYS137 4.0 48.7 1.0 OE1 B:GLU202 4.2 49.6 1.0 ND1 B:HIS206 4.2 34.7 1.0 ND1 B:HIS102 4.3 34.7 1.0 OE2 B:GLU202 4.3 48.3 1.0 CG B:HIS206 4.4 37.6 1.0 CG B:HIS102 4.5 33.5 1.0 CD B:GLU202 4.7 44.9 1.0 C3 B:SIN302 4.8 63.2 1.0 CD2 B:LEU200 4.8 29.1 1.0 CE B:LYS137 4.9 46.2 1.0 CD2 B:LEU99 5.0 49.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:81.2 occ:1.00 NE2 C:HIS206 2.3 37.5 1.0 NE2 C:HIS102 2.4 43.5 1.0 O3 C:SIN302 2.8 50.4 0.8 CE1 C:HIS206 2.8 35.1 1.0 O4 C:SIN302 3.3 62.4 0.8 CE1 C:HIS102 3.4 40.9 1.0 C4 C:SIN302 3.4 62.2 0.8 CD2 C:HIS102 3.4 39.4 1.0 CD2 C:HIS206 3.5 32.9 1.0 OE2 C:GLU202 3.8 48.7 1.0 ND1 C:HIS206 4.0 30.8 1.0 OE1 C:GLU202 4.1 43.5 1.0 NZ C:LYS137 4.2 40.4 1.0 CD C:GLU202 4.4 43.0 1.0 CG C:HIS206 4.4 34.8 1.0 ND1 C:HIS102 4.5 36.5 1.0 CG C:HIS102 4.6 32.1 1.0 C3 C:SIN302 4.7 56.9 0.8 CD2 C:LEU200 4.8 31.7 1.0 CD C:LYS137 5.0 38.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Hygx From Streptomyces Hygroscopicus with Iron Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:69.1 occ:1.00 NE2 D:HIS102 2.4 36.4 1.0 NE2 D:HIS206 2.5 36.1 1.0 O D:HOH412 2.6 42.7 1.0 O1 D:SIN302 2.6 59.8 1.0 CE1 D:HIS206 3.1 29.6 1.0 CD2 D:HIS102 3.4 26.0 1.0 CE1 D:HIS102 3.4 32.8 1.0 C1 D:SIN302 3.6 56.4 1.0 CD2 D:HIS206 3.7 32.5 1.0 NZ D:LYS137 3.7 43.6 1.0 O2 D:SIN302 3.8 53.9 1.0 OE2 D:GLU202 3.9 37.6 1.0 OE1 D:GLU202 4.2 50.9 1.0 ND1 D:HIS206 4.3 31.5 1.0 ND1 D:HIS102 4.5 33.2 1.0 CD D:GLU202 4.5 41.1 1.0 CG D:HIS102 4.5 30.3 1.0 CG D:HIS206 4.6 31.9 1.0 CE D:LYS137 4.8 39.0 1.0 C2 D:SIN302 5.0 47.3 1.0 CD2 D:LEU200 5.0 31.8 1.0

K.M.Mcculloch, E.K.Mccranie, J.A.Smith, M.Sarwar, J.L.Mathieu, B.L.Gitschlag, Y.Du, B.O.Bachmann, T.M.Iverson. Oxidative Cyclizations in Orthosomycin Biosynthesis Expand the Known Chemistry of An Oxygenase Superfamily. Proc.Natl.Acad.Sci.Usa V. 112 11547 2015.
ISSN: ESSN 1091-6490
PubMed: 26240321
DOI: 10.1073/PNAS.1500964112