Iron in PDB 3k9z: Rational Design of A Structural and Functional Nitric Oxide Reductase

The structure of Rational Design of A Structural and Functional Nitric Oxide Reductase, PDB code: 3k9z was solved by N.Yeung, Y.-W.Lin, Y.-G.Gao, X.Zhao, B.S.Russell, L.Lei, K.D.Miner, H.Robinson, Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.600, 48.240, 77.480, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Rational Design of A Structural and Functional Nitric Oxide Reductase (pdb code 3k9z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Rational Design of A Structural and Functional Nitric Oxide Reductase, PDB code: 3k9z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Rational Design of A Structural and Functional Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Rational Design of A Structural and Functional Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe155 b:30.6 occ:1.00 FE A:HEM155 0.0 30.6 1.0 ND A:HEM155 2.0 27.2 1.0 NC A:HEM155 2.0 20.6 1.0 NB A:HEM155 2.0 26.6 1.0 NA A:HEM155 2.0 25.5 1.0 NE2 A:HIS93 2.1 27.3 1.0 C1C A:HEM155 2.9 19.3 1.0 C1B A:HEM155 3.0 19.0 1.0 C1D A:HEM155 3.0 26.6 1.0 C4A A:HEM155 3.0 24.8 1.0 C1A A:HEM155 3.0 15.9 1.0 C4C A:HEM155 3.1 23.3 1.0 C4B A:HEM155 3.1 22.2 1.0 C4D A:HEM155 3.1 28.4 1.0 CE1 A:HIS93 3.1 28.9 1.0 CD2 A:HIS93 3.2 28.9 1.0 CHB A:HEM155 3.3 17.6 1.0 CHC A:HEM155 3.4 27.5 1.0 CHD A:HEM155 3.4 29.2 1.0 CHA A:HEM155 3.4 27.4 1.0 OE1 A:GLU68 3.4 21.5 1.0 CD A:GLU68 3.9 27.1 1.0 CG A:GLU68 4.0 27.3 1.0 C2C A:HEM155 4.2 19.8 1.0 C2B A:HEM155 4.2 14.7 1.0 ND1 A:HIS93 4.2 24.9 1.0 C3C A:HEM155 4.3 28.8 1.0 C3B A:HEM155 4.3 17.4 1.0 C2D A:HEM155 4.3 30.1 1.0 C3A A:HEM155 4.3 21.7 1.0 C2A A:HEM155 4.3 23.6 1.0 C3D A:HEM155 4.3 22.9 1.0 CG A:HIS93 4.3 26.9 1.0 O A:HOH158 4.4 35.1 1.0 CD2 A:HIS97 4.8 31.6 1.0 FE A:FE2157 4.8 36.7 1.0 OE2 A:GLU68 4.8 35.8 1.0 CE1 A:HIS64 4.8 22.9 1.0

Iron binding site 2 out of 2 in the Rational Design of A Structural and Functional Nitric Oxide Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Rational Design of A Structural and Functional Nitric Oxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe157 b:36.7 occ:1.00 O A:HOH158 2.1 35.1 1.0 NE2 A:HIS43 2.1 26.1 1.0 NE2 A:HIS29 2.2 22.4 1.0 OE1 A:GLU68 2.2 21.5 1.0 NE2 A:HIS64 2.2 19.4 1.0 CD2 A:HIS29 3.1 23.8 1.0 CD A:GLU68 3.1 27.1 1.0 CD2 A:HIS43 3.1 27.1 1.0 CE1 A:HIS64 3.1 22.9 1.0 CE1 A:HIS43 3.1 21.6 1.0 CD2 A:HIS64 3.2 15.8 1.0 CE1 A:HIS29 3.3 33.6 1.0 OE2 A:GLU68 3.3 35.8 1.0 ND1 A:HIS64 4.2 34.1 1.0 ND1 A:HIS43 4.2 27.2 1.0 CG A:HIS43 4.2 28.2 1.0 CG A:HIS29 4.3 24.4 1.0 CG A:HIS64 4.3 29.8 1.0 ND1 A:HIS29 4.3 28.1 1.0 CHD A:HEM155 4.4 29.2 1.0 C1C A:HEM155 4.4 19.3 1.0 C4C A:HEM155 4.4 23.3 1.0 C1D A:HEM155 4.5 26.6 1.0 CG A:GLU68 4.5 27.3 1.0 NC A:HEM155 4.5 20.6 1.0 C3C A:HEM155 4.6 28.8 1.0 C2C A:HEM155 4.6 19.8 1.0 ND A:HEM155 4.6 27.2 1.0 FE A:HEM155 4.8 30.6 1.0

N.Yeung, Y.W.Lin, Y.G.Gao, X.Zhao, B.S.Russell, L.Lei, K.D.Miner, H.Robinson, Y.Lu. Rational Design of A Structural and Functional Nitric Oxide Reductase. Nature V. 462 1079 2009.
ISSN: ISSN 0028-0836
PubMed: 19940850
DOI: 10.1038/NATURE08620