Iron in PDB 3tm8: BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus

The structure of BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus, PDB code: 3tm8 was solved by A.L.Lovering, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.40 / 1.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.170, 79.840, 84.750, 90.00, 95.99, 90.00
R / Rfree (%)	16.5 / 19.6

The binding sites of Iron atom in the BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus (pdb code 3tm8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus, PDB code: 3tm8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe902 b:5.0 occ:1.00 O A:HOH312 2.0 5.4 1.0 O2 A:PO4901 2.1 7.4 1.0 OD2 A:ASP184 2.1 5.3 1.0 NE2 A:HIS150 2.1 4.2 1.0 OD1 A:ASN265 2.1 6.8 1.0 NE2 A:HIS183 2.3 5.6 1.0 CG A:ASP184 3.0 5.4 1.0 CG A:ASN265 3.1 6.0 1.0 CD2 A:HIS150 3.1 4.7 1.0 CE1 A:HIS150 3.1 4.8 1.0 P A:PO4901 3.2 7.5 1.0 CD2 A:HIS183 3.2 5.2 1.0 CE1 A:HIS183 3.3 5.7 1.0 OD1 A:ASP184 3.4 5.3 1.0 FE A:FE903 3.4 5.7 1.0 O4 A:PO4901 3.4 5.5 1.0 ND2 A:ASN265 3.5 7.2 1.0 O3 A:PO4901 3.7 10.4 1.0 ND1 A:HIS150 4.2 5.4 1.0 CG A:HIS150 4.3 4.7 1.0 CB A:ASN265 4.3 6.5 1.0 CB A:ASP184 4.3 5.2 1.0 CG A:HIS183 4.4 5.4 1.0 ND1 A:HIS183 4.4 5.9 1.0 O1 A:PO4901 4.5 11.7 1.0 OE2 A:GLU238 4.5 7.7 1.0 NE2 A:HIS237 4.6 5.6 1.0 CD2 A:HIS237 4.7 5.8 1.0 CE2 A:PHE273 4.9 10.2 1.0

Iron binding site 2 out of 4 in the BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe903 b:5.7 occ:1.00 O A:HOH312 1.9 5.4 1.0 O4 A:PO4901 2.1 5.5 1.0 OD1 A:ASP184 2.1 5.3 1.0 NE2 A:HIS212 2.2 5.3 1.0 OE2 A:GLU238 2.2 7.7 1.0 NE2 A:HIS237 2.2 5.6 1.0 CE1 A:HIS212 3.1 5.4 1.0 CD2 A:HIS237 3.1 5.8 1.0 CG A:ASP184 3.1 5.4 1.0 P A:PO4901 3.2 7.5 1.0 CD2 A:HIS212 3.2 6.5 1.0 CE1 A:HIS237 3.3 6.3 1.0 CD A:GLU238 3.3 8.3 1.0 OD2 A:ASP184 3.4 5.3 1.0 FE A:FE902 3.4 5.0 1.0 O3 A:PO4901 3.4 10.4 1.0 O2 A:PO4901 3.7 7.4 1.0 CG A:GLU238 3.8 8.5 1.0 CD2 A:HIS183 4.0 5.2 1.0 NE2 A:HIS187 4.0 7.5 1.0 ND1 A:HIS212 4.2 6.5 1.0 CG A:HIS237 4.3 6.7 1.0 NE2 A:HIS183 4.3 5.6 1.0 CG A:HIS212 4.3 7.1 1.0 ND1 A:HIS237 4.3 6.9 1.0 OE1 A:GLU238 4.3 9.8 1.0 CD2 A:HIS187 4.4 6.8 1.0 ND2 A:ASN265 4.4 7.2 1.0 CB A:ASP184 4.5 5.2 1.0 O1 A:PO4901 4.5 11.7 1.0 OD1 A:ASN265 4.7 6.8 1.0 CA A:ASP184 4.8 5.8 1.0 CG A:ASN265 4.8 6.0 1.0 CZ2 A:TRP209 5.0 9.6 1.0

Iron binding site 3 out of 4 in the BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe902 b:5.3 occ:1.00 O B:HOH577 2.0 5.4 1.0 O2 B:PO4901 2.1 7.7 1.0 OD2 B:ASP184 2.1 5.8 1.0 NE2 B:HIS150 2.1 5.0 1.0 OD1 B:ASN265 2.2 7.7 1.0 NE2 B:HIS183 2.3 5.4 1.0 CG B:ASP184 3.0 5.2 1.0 CD2 B:HIS150 3.1 5.7 1.0 CG B:ASN265 3.1 7.2 1.0 CE1 B:HIS150 3.1 5.1 1.0 P B:PO4901 3.2 7.8 1.0 CD2 B:HIS183 3.2 5.0 1.0 CE1 B:HIS183 3.3 5.8 1.0 OD1 B:ASP184 3.4 5.2 1.0 FE B:FE903 3.4 5.8 1.0 O4 B:PO4901 3.4 6.4 1.0 ND2 B:ASN265 3.6 7.8 1.0 O3 B:PO4901 3.7 10.5 1.0 CG B:HIS150 4.2 5.3 1.0 ND1 B:HIS150 4.2 5.3 1.0 CB B:ASN265 4.3 7.0 1.0 CB B:ASP184 4.3 5.3 1.0 CG B:HIS183 4.4 5.9 1.0 ND1 B:HIS183 4.4 5.5 1.0 O1 B:PO4901 4.5 10.7 1.0 OE2 B:GLU238 4.5 7.5 1.0 NE2 B:HIS237 4.6 5.6 1.0 CD2 B:HIS237 4.7 5.8 1.0 CE2 B:PHE273 4.9 9.9 1.0

Iron binding site 4 out of 4 in the BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of BD1817, A Hdg"Y"P Protein From Bdellovibrio Bacteriovorus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe903 b:5.8 occ:1.00 O B:HOH577 2.0 5.4 1.0 O4 B:PO4901 2.1 6.4 1.0 OD1 B:ASP184 2.1 5.2 1.0 OE2 B:GLU238 2.2 7.5 1.0 NE2 B:HIS237 2.2 5.6 1.0 NE2 B:HIS212 2.2 5.0 1.0 CE1 B:HIS212 3.1 4.8 1.0 CD2 B:HIS237 3.1 5.8 1.0 CG B:ASP184 3.1 5.2 1.0 P B:PO4901 3.2 7.8 1.0 CE1 B:HIS237 3.2 6.6 1.0 CD2 B:HIS212 3.2 6.6 1.0 CD B:GLU238 3.3 7.8 1.0 OD2 B:ASP184 3.4 5.8 1.0 FE B:FE902 3.4 5.3 1.0 O3 B:PO4901 3.4 10.5 1.0 O2 B:PO4901 3.7 7.7 1.0 CG B:GLU238 3.8 7.3 1.0 NE2 B:HIS187 4.0 7.1 1.0 CD2 B:HIS183 4.0 5.0 1.0 ND1 B:HIS212 4.2 6.1 1.0 CG B:HIS237 4.3 6.3 1.0 ND1 B:HIS237 4.3 6.6 1.0 OE1 B:GLU238 4.3 9.0 1.0 NE2 B:HIS183 4.3 5.4 1.0 CG B:HIS212 4.3 6.3 1.0 CD2 B:HIS187 4.4 6.2 1.0 ND2 B:ASN265 4.5 7.8 1.0 O1 B:PO4901 4.5 10.7 1.0 CB B:ASP184 4.5 5.3 1.0 OD1 B:ASN265 4.7 7.7 1.0 CA B:ASP184 4.8 5.6 1.0 CG B:ASN265 4.8 7.2 1.0 CZ2 B:TRP209 5.0 9.1 1.0

A.L.Lovering, M.J.Capeness, C.Lambert, L.Hobley, R.E.Sockett. The Structure of An Unconventional Hd-Gyp Protein From Bdellovibrio Reveals the Roles of Conserved Residues in This Class of Cyclic-Di-Gmp Phosphodiesterases. Mbio V. 2 2011.
ISSN: ESSN 2150-7511
PubMed: 21990613
DOI: 10.1128/MBIO.00163-11