Zinc in PDB 2bnn: The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin

The structure of The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin, PDB code: 2bnn was solved by K.Mcluskey, S.Cameron, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.602, 85.602, 217.989, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 27

The binding sites of Zinc atom in the The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin (pdb code 2bnn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin, PDB code: 2bnn:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1200 b:42.5 occ:1.00 OE2 A:GLU142 2.0 46.1 1.0 O3P A:FCN1199 2.1 51.7 1.0 NE2 A:HIS180 2.1 35.9 1.0 NE2 A:HIS138 2.2 40.1 1.0 O A:FCN1199 2.8 56.0 1.0 CD A:GLU142 2.9 38.8 1.0 CE1 A:HIS138 2.9 50.5 1.0 CE1 A:HIS180 3.0 28.9 1.0 OE1 A:GLU142 3.1 45.7 1.0 CD2 A:HIS180 3.2 32.1 1.0 P A:FCN1199 3.3 50.0 1.0 CD2 A:HIS138 3.3 48.5 1.0 C3 A:FCN1199 3.6 56.6 1.0 C1 A:FCN1199 3.6 55.7 1.0 C2 A:FCN1199 3.8 56.1 1.0 ND2 A:ASN135 3.9 56.1 1.0 O2P A:FCN1199 4.0 49.9 1.0 ND1 A:HIS138 4.1 42.6 1.0 ND1 A:HIS180 4.1 30.4 1.0 CG A:GLU142 4.2 36.6 1.0 CG A:HIS180 4.3 33.3 1.0 CG A:HIS138 4.3 48.1 1.0 O1P A:FCN1199 4.5 54.5 1.0 CB A:GLU142 4.6 32.0 1.0 CE1 A:PHE182 4.9 39.2 1.0

Zinc binding site 2 out of 2 in the The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Structure of Hydroxypropylphosphonic Acid Epoxidase From S. Wedmorenis in Complex with Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1200 b:50.4 occ:1.00 OE1 B:GLU142 2.0 41.6 1.0 O3P B:FCN1199 2.1 69.7 1.0 NE2 B:HIS138 2.1 43.7 1.0 NE2 B:HIS180 2.2 45.3 1.0 O B:FCN1199 2.7 74.0 1.0 CE1 B:HIS138 2.9 46.7 1.0 CD B:GLU142 2.9 46.1 1.0 CE1 B:HIS180 3.0 46.7 1.0 OE2 B:GLU142 3.2 55.8 1.0 CD2 B:HIS138 3.2 41.6 1.0 CD2 B:HIS180 3.3 41.9 1.0 P B:FCN1199 3.3 68.8 1.0 C3 B:FCN1199 3.4 70.4 1.0 C1 B:FCN1199 3.6 73.8 1.0 C2 B:FCN1199 3.6 74.2 1.0 ND1 B:HIS138 4.1 46.3 1.0 O2P B:FCN1199 4.1 76.7 1.0 ND1 B:HIS180 4.2 43.5 1.0 ND2 B:ASN135 4.2 64.5 1.0 CG B:GLU142 4.3 43.7 1.0 CG B:HIS138 4.3 49.9 1.0 CG B:HIS180 4.4 46.0 1.0 O1P B:FCN1199 4.4 71.5 1.0 CB B:GLU142 4.7 37.5 1.0

K.Mcluskey, S.Cameron, F.Hammerschmidt, W.N.Hunter. Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis By A Cation- and Flavin-Dependent Mechanism. Proc.Natl.Acad.Sci.Usa V. 102 14221 2005.
ISSN: ISSN 0027-8424
PubMed: 16186494
DOI: 10.1073/PNAS.0504314102