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

The structure of Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion, PDB code: 3nvr 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)	49.48 / 2.15
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.825, 126.095, 42.742, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 26

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

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion (pdb code 3nvr). 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: 3nvr:
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:33.9 occ:1.00 FE A:HEM200 0.0 33.9 1.0 NA A:HEM200 2.0 32.8 1.0 NC A:HEM200 2.0 30.3 1.0 NB A:HEM200 2.1 30.6 1.0 ND A:HEM200 2.1 34.1 1.0 NE2 A:HIS102 2.2 31.9 1.0 O1 A:OXY493 2.3 44.5 1.0 O2 A:OXY493 2.6 40.6 1.0 C1D A:HEM200 3.0 26.6 1.0 C4A A:HEM200 3.0 35.0 1.0 C4C A:HEM200 3.0 31.7 1.0 C1B A:HEM200 3.0 33.5 1.0 C1A A:HEM200 3.1 31.0 1.0 CE1 A:HIS102 3.1 26.9 1.0 C4D A:HEM200 3.1 32.3 1.0 C1C A:HEM200 3.1 36.3 1.0 C4B A:HEM200 3.1 31.7 1.0 CD2 A:HIS102 3.2 33.9 1.0 CHD A:HEM200 3.3 28.7 1.0 CHB A:HEM200 3.4 29.5 1.0 CHA A:HEM200 3.5 32.2 1.0 CHC A:HEM200 3.5 34.9 1.0 C3A A:HEM200 4.2 34.0 1.0 C2D A:HEM200 4.2 34.5 1.0 ND1 A:HIS102 4.2 35.3 1.0 C3C A:HEM200 4.2 31.4 1.0 C2A A:HEM200 4.2 31.0 1.0 C3D A:HEM200 4.3 32.1 1.0 C2C A:HEM200 4.3 35.2 1.0 C2B A:HEM200 4.3 34.2 1.0 CG A:HIS102 4.3 38.8 1.0 C3B A:HEM200 4.3 34.6 1.0 CZ A:PHE78 4.6 34.6 1.0 CE1 A:PHE78 4.6 31.3 1.0 CD1 A:LEU144 4.8 33.0 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:35.6 occ:1.00 FE B:HEM200 0.0 35.6 1.0 NA B:HEM200 2.0 29.7 1.0 NC B:HEM200 2.0 30.7 1.0 NB B:HEM200 2.0 36.2 1.0 ND B:HEM200 2.1 35.4 1.0 NE2 B:HIS102 2.1 36.2 1.0 O1 B:OXY494 2.2 36.2 1.0 O2 B:OXY494 2.7 39.5 1.0 C4A B:HEM200 3.0 42.0 1.0 C1A B:HEM200 3.0 33.2 1.0 C1D B:HEM200 3.0 29.3 1.0 C4C B:HEM200 3.0 34.7 1.0 C4D B:HEM200 3.0 32.2 1.0 C1B B:HEM200 3.0 31.4 1.0 C4B B:HEM200 3.1 38.7 1.0 CE1 B:HIS102 3.1 39.0 1.0 C1C B:HEM200 3.1 38.0 1.0 CD2 B:HIS102 3.1 34.1 1.0 CHB B:HEM200 3.4 35.3 1.0 CHD B:HEM200 3.4 29.6 1.0 CHA B:HEM200 3.4 35.6 1.0 CHC B:HEM200 3.5 37.6 1.0 C3A B:HEM200 4.2 36.9 1.0 C2A B:HEM200 4.2 29.2 1.0 ND1 B:HIS102 4.2 46.1 1.0 C2D B:HEM200 4.2 29.8 1.0 C3D B:HEM200 4.2 36.9 1.0 CG B:HIS102 4.3 42.0 1.0 C3C B:HEM200 4.3 33.5 1.0 C2B B:HEM200 4.3 41.7 1.0 C3B B:HEM200 4.3 41.9 1.0 C2C B:HEM200 4.3 38.9 1.0 CZ B:PHE78 4.5 45.2 1.0 CE1 B:PHE78 4.5 40.1 1.0 CD1 B:LEU144 4.6 37.9 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