Iron in PDB 3nvu: Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion

The structure of Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion, PDB code: 3nvu was solved by C.Olea Jr., J.Kuriyan, M.A.Marletta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.05 / 2.04
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	127.158, 79.828, 43.322, 90.00, 102.25, 90.00
R / Rfree (%)	18.9 / 23.4

The structure of Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion (pdb code 3nvu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion, PDB code: 3nvu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:20.5 occ:1.00 FE A:HEM200 0.0 20.5 1.0 ND A:HEM200 2.0 17.4 1.0 NA A:HEM200 2.0 18.8 1.0 NB A:HEM200 2.1 14.3 1.0 NC A:HEM200 2.1 20.9 1.0 NE2 A:HIS102 2.1 20.1 1.0 O1 A:OXY493 2.1 18.1 1.0 O2 A:OXY493 2.8 32.0 1.0 C1D A:HEM200 3.0 19.5 1.0 C4C A:HEM200 3.0 24.1 1.0 C4A A:HEM200 3.0 22.5 1.0 C1B A:HEM200 3.0 15.3 1.0 C4D A:HEM200 3.1 21.7 1.0 CE1 A:HIS102 3.1 17.3 1.0 CD2 A:HIS102 3.1 19.3 1.0 C1A A:HEM200 3.1 23.4 1.0 C4B A:HEM200 3.1 16.1 1.0 C1C A:HEM200 3.1 19.1 1.0 CHD A:HEM200 3.3 21.6 1.0 CHB A:HEM200 3.4 18.1 1.0 CHA A:HEM200 3.5 22.6 1.0 CHC A:HEM200 3.5 12.4 1.0 ND1 A:HIS102 4.2 18.9 1.0 C2D A:HEM200 4.2 19.5 1.0 CG A:HIS102 4.2 23.5 1.0 C3D A:HEM200 4.2 21.6 1.0 C3A A:HEM200 4.3 21.1 1.0 C3C A:HEM200 4.3 17.4 1.0 C2A A:HEM200 4.3 18.8 1.0 C2B A:HEM200 4.3 21.7 1.0 C2C A:HEM200 4.3 18.4 1.0 C3B A:HEM200 4.3 20.1 1.0 CE1 A:PHE78 4.4 22.3 1.0 CZ A:PHE78 4.5 21.8 1.0 CD1 A:LEU144 4.7 17.3 1.0 CD1 A:LEU117 5.0 32.1 1.0

Iron binding site 2 out of 2 in the Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:16.4 occ:1.00 FE B:HEM200 0.0 16.4 1.0 NA B:HEM200 2.0 17.1 1.0 NB B:HEM200 2.0 13.0 1.0 NC B:HEM200 2.1 12.3 1.0 ND B:HEM200 2.1 17.9 1.0 O1 B:OXY494 2.1 15.6 1.0 NE2 B:HIS102 2.1 15.5 1.0 O2 B:OXY494 2.9 30.0 1.0 C4A B:HEM200 3.0 18.3 1.0 CE1 B:HIS102 3.0 14.4 1.0 C1A B:HEM200 3.0 15.9 1.0 C4D B:HEM200 3.0 19.3 1.0 C1B B:HEM200 3.1 17.2 1.0 C4B B:HEM200 3.1 14.5 1.0 C1D B:HEM200 3.1 17.2 1.0 C4C B:HEM200 3.1 17.7 1.0 C1C B:HEM200 3.1 13.1 1.0 CD2 B:HIS102 3.2 15.6 1.0 CHA B:HEM200 3.4 17.9 1.0 CHB B:HEM200 3.4 18.7 1.0 CHC B:HEM200 3.4 14.3 1.0 CHD B:HEM200 3.4 17.0 1.0 ND1 B:HIS102 4.2 13.0 1.0 C3A B:HEM200 4.2 18.7 1.0 C2A B:HEM200 4.3 21.7 1.0 C3D B:HEM200 4.3 16.7 1.0 C2B B:HEM200 4.3 16.6 1.0 CG B:HIS102 4.3 19.2 1.0 C3B B:HEM200 4.3 16.3 1.0 C2D B:HEM200 4.3 17.1 1.0 C3C B:HEM200 4.3 11.9 1.0 C2C B:HEM200 4.3 16.5 1.0 CZ B:PHE78 4.6 23.3 1.0 CE1 B:PHE78 4.6 25.3 1.0 CD1 B:LEU144 4.8 14.0 1.0

C.Olea, J.Kuriyan, M.A.Marletta. Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion. J.Am.Chem.Soc. V. 132 12794 2010.
ISSN: ISSN 0002-7863
PubMed: 20735135
DOI: 10.1021/JA106252B