Iron in PDB 3m39: The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site)

The structure of The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site), PDB code: 3m39 was solved by Y.-W.Lin, N.Yeung, Y.-G.Gao, K.D.Miner, S.Tian, H.Robinson, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.760, 46.550, 74.120, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / 25.1

The binding sites of Iron atom in the The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site) (pdb code 3m39). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site), PDB code: 3m39:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe155 b:16.4 occ:1.00 FE A:HEM155 0.0 16.4 1.0 ND A:HEM155 2.0 19.4 1.0 NB A:HEM155 2.0 18.0 1.0 NC A:HEM155 2.0 18.0 1.0 NA A:HEM155 2.0 13.1 1.0 NE2 A:HIS93 2.2 16.4 1.0 OE1 A:GLU68 2.3 16.2 1.0 C4D A:HEM155 3.0 18.1 1.0 C1D A:HEM155 3.0 20.1 1.0 C1B A:HEM155 3.0 19.6 1.0 C1C A:HEM155 3.0 18.7 1.0 C1A A:HEM155 3.0 12.3 1.0 C4C A:HEM155 3.0 16.7 1.0 C4A A:HEM155 3.1 15.1 1.0 CE1 A:HIS93 3.1 16.9 1.0 C4B A:HEM155 3.1 17.2 1.0 CD2 A:HIS93 3.2 17.8 1.0 CD A:GLU68 3.4 20.2 1.0 CHA A:HEM155 3.4 19.5 1.0 CHD A:HEM155 3.4 17.7 1.0 CHB A:HEM155 3.4 20.9 1.0 CHC A:HEM155 3.4 15.6 1.0 CG A:GLU68 3.8 17.9 1.0 ND1 A:HIS93 4.2 21.3 1.0 C3D A:HEM155 4.2 26.0 1.0 C2D A:HEM155 4.2 24.2 1.0 C3B A:HEM155 4.3 17.8 1.0 C2B A:HEM155 4.3 16.2 1.0 C3A A:HEM155 4.3 14.6 1.0 C2A A:HEM155 4.3 15.5 1.0 C3C A:HEM155 4.3 17.1 1.0 C2C A:HEM155 4.3 20.7 1.0 CG A:HIS93 4.3 20.7 1.0 OE2 A:GLU68 4.4 20.2 1.0 CE1 A:HIS64 4.5 21.6 1.0 FE A:FE2156 4.6 21.1 1.0 O A:HOH1033 4.7 42.1 1.0 CB A:GLU68 4.9 13.9 1.0 NE2 A:HIS64 5.0 18.1 1.0

Iron binding site 2 out of 2 in the The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin: Fe(II)-I107E Febmb (Fe(II) Binding to Feb Site) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe156 b:21.1 occ:1.00 OE2 A:GLU68 2.1 20.2 1.0 NE2 A:HIS29 2.2 18.3 1.0 O A:HOH1000 2.2 20.6 1.0 NE2 A:HIS43 2.2 30.7 1.0 NE2 A:HIS64 2.2 18.1 1.0 OE1 A:GLU68 2.6 16.2 1.0 CD A:GLU68 2.6 20.2 1.0 CD2 A:HIS64 3.1 16.8 1.0 CD2 A:HIS43 3.1 27.5 1.0 CE1 A:HIS29 3.2 24.8 1.0 CD2 A:HIS29 3.2 18.1 1.0 CE1 A:HIS64 3.3 21.6 1.0 CE1 A:HIS43 3.3 25.5 1.0 CG A:GLU68 4.0 17.9 1.0 C4C A:HEM155 4.2 16.7 1.0 CG A:HIS64 4.3 15.6 1.0 ND1 A:HIS29 4.3 15.8 1.0 ND1 A:HIS64 4.3 16.9 1.0 CG A:HIS29 4.3 15.6 1.0 CG A:HIS43 4.3 24.8 1.0 NC A:HEM155 4.3 18.0 1.0 CHD A:HEM155 4.3 17.7 1.0 ND1 A:HIS43 4.4 23.6 1.0 OE2 A:GLU107 4.4 31.1 1.0 ND A:HEM155 4.5 19.4 1.0 C1D A:HEM155 4.5 20.1 1.0 FE A:HEM155 4.6 16.4 1.0 C3C A:HEM155 4.7 17.1 1.0 C1C A:HEM155 4.7 18.7 1.0 C2C A:HEM155 5.0 20.7 1.0 CB A:GLU68 5.0 13.9 1.0

Y.W.Lin, N.Yeung, Y.G.Gao, K.D.Miner, S.Tian, H.Robinson, Y.Lu. Roles of Glutamates and Metal Ions in A Rationally Designed Nitric Oxide Reductase Based on Myoglobin. Proc.Natl.Acad.Sci.Usa V. 107 8581 2010.
ISSN: ISSN 0027-8424
PubMed: 20421510
DOI: 10.1073/PNAS.1000526107