Iron in PDB 1zz9: Crystal Structure of Feii Hppe

The structure of Crystal Structure of Feii Hppe, PDB code: 1zz9 was solved by L.J.Higgins, F.Yan, P.Liu, H.W.Liu, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.34 / 2.40
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.870, 111.870, 153.160, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 28.7

The binding sites of Iron atom in the Crystal Structure of Feii Hppe (pdb code 1zz9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Feii Hppe, PDB code: 1zz9:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of Feii Hppe


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 Feii Hppe within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe199 b:45.2 occ:1.00 O A:HOH232 2.0 35.0 1.0 OE2 A:GLU142 2.2 51.5 1.0 NE2 A:HIS180 2.2 41.3 1.0 O A:HOH203 2.6 34.5 1.0 NE2 A:HIS138 2.6 65.0 1.0 CD A:GLU142 2.8 49.0 1.0 OE1 A:GLU142 2.8 48.8 1.0 O A:HOH233 2.9 36.5 1.0 CE1 A:HIS180 3.0 44.2 1.0 CE1 A:HIS138 3.0 66.2 1.0 CD2 A:HIS180 3.3 45.5 1.0 CD2 A:HIS138 3.9 65.5 1.0 ND2 A:ASN135 4.0 64.9 1.0 ND2 A:ASN197 4.1 50.5 1.0 OD1 A:ASN197 4.2 50.1 1.0 ND1 A:HIS180 4.2 43.3 1.0 CG A:GLU142 4.3 48.0 1.0 ND1 A:HIS138 4.3 67.1 1.0 CG A:HIS180 4.4 43.5 1.0 O B:HOH248 4.5 52.6 1.0 CG A:ASN197 4.6 48.7 1.0 CG A:HIS138 4.8 66.8 1.0 CB A:GLU142 4.8 44.4 1.0

Iron binding site 2 out of 3 in the Crystal Structure of Feii Hppe


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 Feii Hppe within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe199 b:34.5 occ:1.00 NE2 B:HIS138 1.7 44.2 1.0 O B:HOH205 1.8 25.7 1.0 OE1 B:GLU142 2.1 36.6 1.0 NE2 B:HIS180 2.2 30.5 1.0 O B:HOH204 2.3 31.6 1.0 CE1 B:HIS138 2.4 48.3 1.0 CD2 B:HIS138 3.0 45.3 1.0 CD B:GLU142 3.1 36.7 1.0 O B:HOH202 3.1 52.3 1.0 CE1 B:HIS180 3.2 28.8 1.0 CD2 B:HIS180 3.2 30.6 1.0 OE2 B:GLU142 3.3 39.8 1.0 O B:HOH206 3.5 43.4 1.0 ND1 B:HIS138 3.6 44.5 1.0 CG B:HIS138 3.9 47.4 1.0 OD1 B:ASN197 4.2 41.5 1.0 ND1 B:HIS180 4.3 31.6 1.0 CG B:HIS180 4.4 30.3 1.0 ND2 B:ASN197 4.4 38.5 1.0 CG B:GLU142 4.5 34.9 1.0 CG B:ASN197 4.8 37.6 1.0 OD1 B:ASN135 4.8 57.7 1.0 O B:HOH201 4.9 47.7 1.0 CB B:GLU142 5.0 35.3 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Feii Hppe


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 Feii Hppe within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe199 b:47.9 occ:1.00 NE2 C:HIS138 1.8 45.4 1.0 O C:HOH244 2.1 39.9 1.0 O C:HOH243 2.3 36.8 1.0 OE2 C:GLU142 2.3 47.3 1.0 CE1 C:HIS138 2.4 46.8 1.0 NE2 C:HIS180 2.4 38.2 1.0 CD C:GLU142 3.1 46.2 1.0 CD2 C:HIS138 3.1 46.0 1.0 OE1 C:GLU142 3.2 48.5 1.0 CD2 C:HIS180 3.3 38.9 1.0 CE1 C:HIS180 3.4 35.2 1.0 ND1 C:HIS138 3.6 46.2 1.0 CG C:HIS138 4.0 45.6 1.0 CG C:HIS180 4.5 37.7 1.0 CG C:GLU142 4.5 43.0 1.0 ND1 C:HIS180 4.5 37.4 1.0 OD1 C:ASN197 4.5 39.5 1.0 CB C:GLU142 4.9 39.1 1.0 CE1 C:PHE182 4.9 53.4 1.0 OD1 C:ASN135 4.9 67.5 1.0 ND2 C:ASN135 5.0 66.8 1.0

L.J.Higgins, F.Yan, P.Liu, H.W.Liu, C.L.Drennan. Structural Insight Into Antibiotic Fosfomycin Biosynthesis By A Mononuclear Iron Enzyme Nature V. 437 838 2005.
ISSN: ISSN 0028-0836
PubMed: 16015285
DOI: 10.1038/NATURE03924