Iron in PDB 4hz1: Crystal Structure of Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site.

The structure of Crystal Structure of Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site., PDB code: 4hz1 was solved by M.P.Mclaughlin, M.Retegan, E.Bill, T.M.Payne, H.S.Shafaat, S.Pea, J.Sudhamsu, A.A.Ensign, B.R.Crane, F.Neese, P.L.Holland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.309, 98.033, 108.900, 90.00, 90.00, 90.00
R / Rfree (%)	24.5 / 27.7

The binding sites of Iron atom in the Crystal Structure of Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site. (pdb code 4hz1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site., PDB code: 4hz1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site.


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 Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:12.1 occ:0.35 ND1 B:HIS46 2.0 13.7 1.0 ND1 B:HIS117 2.1 15.8 1.0 SG B:CYS112 2.3 9.1 1.0 O B:GLY45 2.4 16.6 1.0 CE1 B:HIS117 2.9 18.6 1.0 CE1 B:HIS46 3.0 12.3 1.0 CG B:HIS46 3.0 13.7 1.0 CA B:HIS46 3.1 15.3 1.0 CG B:HIS117 3.2 17.4 1.0 C B:GLY45 3.3 16.5 1.0 SD B:MET121 3.4 9.9 1.0 CB B:HIS46 3.4 12.0 1.0 CB B:CYS112 3.5 11.4 1.0 N B:HIS46 3.6 15.6 1.0 CB B:HIS117 3.6 16.7 1.0 CB B:PHE114 3.8 17.8 1.0 CE B:MET121 4.0 7.2 1.0 NE2 B:HIS46 4.1 13.7 1.0 NE2 B:HIS117 4.1 20.1 1.0 CD2 B:HIS46 4.1 12.7 1.0 CD2 B:HIS117 4.2 18.6 1.0 C B:HIS46 4.4 15.7 1.0 N B:ASN47 4.5 15.1 1.0 CG B:PHE114 4.5 18.7 1.0 CA B:GLY45 4.6 17.1 1.0 CA B:CYS112 4.8 11.1 1.0 N B:GLY45 4.9 16.7 1.0 CG B:MET121 4.9 8.6 1.0 N B:PHE114 5.0 16.1 1.0 O B:MET44 5.0 16.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site.


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 Pseudomonas Aeruginosa Azurin with Iron(II) at the Copper-Binding Site. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:12.3 occ:0.35 ND1 C:HIS46 2.0 10.7 1.0 ND1 C:HIS117 2.1 14.0 1.0 SG C:CYS112 2.3 11.7 1.0 O C:GLY45 2.6 16.5 1.0 CE1 C:HIS46 2.9 7.0 1.0 CE1 C:HIS117 3.0 16.0 1.0 CG C:HIS46 3.1 10.6 1.0 CG C:HIS117 3.1 15.3 1.0 CA C:HIS46 3.3 15.3 1.0 SD C:MET121 3.4 8.8 1.0 CB C:HIS117 3.5 15.0 1.0 C C:GLY45 3.5 17.5 1.0 CB C:HIS46 3.5 12.7 1.0 CB C:CYS112 3.6 13.6 1.0 CB C:PHE114 3.7 17.6 1.0 N C:HIS46 3.8 16.1 1.0 NE2 C:HIS46 4.0 9.7 1.0 CE C:MET121 4.1 8.0 1.0 NE2 C:HIS117 4.1 17.4 1.0 CD2 C:HIS46 4.2 9.8 1.0 CD2 C:HIS117 4.2 16.6 1.0 CG C:PHE114 4.4 19.2 1.0 C C:HIS46 4.5 15.5 1.0 N C:ASN47 4.6 15.1 1.0 CA C:GLY45 4.8 18.1 1.0 CG C:MET121 4.9 8.9 1.0 O C:MET44 4.9 18.1 1.0 CA C:PHE114 4.9 17.5 1.0 CA C:HIS117 4.9 15.8 1.0 CA C:CYS112 4.9 11.6 1.0 N C:GLY45 4.9 18.6 1.0 N C:PHE114 4.9 16.3 1.0 CD1 C:PHE114 5.0 20.5 1.0 C C:MET44 5.0 18.4 1.0

M.P.Mclaughlin, M.Retegan, E.Bill, T.M.Payne, H.S.Shafaat, S.Pena, J.Sudhamsu, A.A.Ensign, B.R.Crane, F.Neese, P.L.Holland. Azurin As A Protein Scaffold For A Low-Coordinate Nonheme Iron Site with A Small-Molecule Binding Pocket. J.Am.Chem.Soc. V. 134 19746 2012.
ISSN: ISSN 0002-7863
PubMed: 23167247
DOI: 10.1021/JA308346B