Iron in PDB 3scf: Fe(II)-Hppe with S-Hpp and No

The structure of Fe(II)-Hppe with S-Hpp and No, PDB code: 3scf was solved by C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.85
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.661, 111.661, 152.158, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 26.9

The binding sites of Iron atom in the Fe(II)-Hppe with S-Hpp and No (pdb code 3scf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Fe(II)-Hppe with S-Hpp and No, PDB code: 3scf:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Fe(II)-Hppe with S-Hpp and No


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe(II)-Hppe with S-Hpp and No within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:82.8 occ:1.00 N A:NO209 1.6 80.6 1.0 OE1 A:GLU142 2.0 85.2 1.0 O14 A:S0H205 2.1 87.5 1.0 NE2 A:HIS180 2.1 86.6 1.0 NE2 A:HIS138 2.3 89.2 1.0 O6 A:S0H205 2.3 87.1 1.0 O A:NO209 2.8 79.1 1.0 CD A:GLU142 3.0 83.9 1.0 CD2 A:HIS180 3.1 88.5 1.0 CE1 A:HIS180 3.1 87.4 1.0 P1 A:S0H205 3.2 89.5 1.0 CD2 A:HIS138 3.2 91.0 1.0 CE1 A:HIS138 3.3 90.3 1.0 C3 A:S0H205 3.3 89.0 1.0 OE2 A:GLU142 3.3 85.0 1.0 C2 A:S0H205 3.5 88.6 1.0 O13 A:S0H205 3.9 88.7 1.0 C1 A:S0H205 4.2 89.3 1.0 ND1 A:HIS180 4.3 89.3 1.0 CG A:HIS180 4.3 90.0 1.0 CG A:GLU142 4.3 81.0 1.0 O15 A:S0H205 4.4 86.9 1.0 ND1 A:HIS138 4.4 92.8 1.0 CG A:HIS138 4.4 93.3 1.0 ND2 A:ASN135 4.5 0.9 1.0 OD1 A:ASN197 4.5 84.1 1.0 CB A:GLU142 4.8 77.6 1.0

Iron binding site 2 out of 3 in the Fe(II)-Hppe with S-Hpp and No


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe(II)-Hppe with S-Hpp and No within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:74.5 occ:1.00 N B:NO210 1.7 76.7 1.0 OE1 B:GLU142 2.1 72.4 1.0 O14 B:S0H206 2.2 77.9 1.0 NE2 B:HIS180 2.2 73.8 1.0 NE2 B:HIS138 2.4 76.3 1.0 O6 B:S0H206 2.4 76.2 1.0 O B:NO210 2.8 76.0 1.0 CD B:GLU142 2.9 70.4 1.0 OE2 B:GLU142 3.1 71.3 1.0 CE1 B:HIS180 3.2 73.7 1.0 CD2 B:HIS180 3.2 73.3 1.0 C3 B:S0H206 3.3 79.6 1.0 CD2 B:HIS138 3.3 76.7 1.0 CE1 B:HIS138 3.4 76.4 1.0 P1 B:S0H206 3.4 82.5 1.0 C2 B:S0H206 3.5 79.1 1.0 C1 B:S0H206 4.2 81.0 1.0 ND2 B:ASN135 4.3 88.9 1.0 O15 B:S0H206 4.3 81.3 1.0 ND1 B:HIS180 4.3 72.6 1.0 CG B:GLU142 4.3 68.2 1.0 O13 B:S0H206 4.3 81.2 1.0 CG B:HIS180 4.4 70.9 1.0 CG B:HIS138 4.5 78.8 1.0 ND1 B:HIS138 4.5 78.2 1.0 OD1 B:ASN197 4.6 65.1 1.0 CB B:GLU142 4.8 65.7 1.0

Iron binding site 3 out of 3 in the Fe(II)-Hppe with S-Hpp and No


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe(II)-Hppe with S-Hpp and No within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe203 b:65.9 occ:1.00 O14 C:S0H207 1.9 65.6 1.0 OE2 C:GLU142 2.1 64.0 1.0 NE2 C:HIS138 2.2 65.0 1.0 NE2 C:HIS180 2.3 64.0 1.0 O6 C:S0H207 2.3 64.3 1.0 O C:HOH214 2.7 44.6 1.0 CD C:GLU142 3.0 63.1 1.0 P1 C:S0H207 3.1 68.5 1.0 CD2 C:HIS138 3.2 66.6 1.0 CE1 C:HIS138 3.2 66.4 1.0 OE1 C:GLU142 3.2 64.2 1.0 CE1 C:HIS180 3.3 64.9 1.0 C3 C:S0H207 3.3 65.5 1.0 CD2 C:HIS180 3.3 63.5 1.0 C2 C:S0H207 3.5 66.8 1.0 O13 C:S0H207 3.7 67.8 1.0 C1 C:S0H207 4.2 65.8 1.0 O15 C:S0H207 4.2 67.2 1.0 ND2 C:ASN135 4.3 78.1 1.0 OD1 C:ASN197 4.3 71.7 1.0 ND1 C:HIS138 4.4 67.5 1.0 CG C:HIS138 4.4 66.9 1.0 ND1 C:HIS180 4.4 64.1 1.0 CG C:GLU142 4.4 61.3 1.0 CG C:HIS180 4.5 62.4 1.0 CB C:GLU142 4.8 58.8 1.0

D.Yun, M.Dey, L.J.Higgins, F.Yan, H.W.Liu, C.L.Drennan. Structural Basis of Regiospecificity of A Mononuclear Iron Enzyme in Antibiotic Fosfomycin Biosynthesis. J.Am.Chem.Soc. V. 133 11262 2011.
ISSN: ISSN 0002-7863
PubMed: 21682308
DOI: 10.1021/JA2025728