Iron in PDB 3fll: Crystal Structure of E55Q Mutant of Nitrophorin 4

The structure of Crystal Structure of E55Q Mutant of Nitrophorin 4, PDB code: 3fll was solved by W.R.Montfort, A.Weichsel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.379, 42.838, 53.056, 90.00, 94.20, 90.00
R / Rfree (%)	16.9 / 20.1

The binding sites of Iron atom in the Crystal Structure of E55Q Mutant of Nitrophorin 4 (pdb code 3fll). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of E55Q Mutant of Nitrophorin 4, PDB code: 3fll:

Iron binding site 1 out of 1 in the Crystal Structure of E55Q Mutant of Nitrophorin 4


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 E55Q Mutant of Nitrophorin 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe185 b:9.3 occ:1.00 FE A:HEM185 0.0 9.3 1.0 NE2 A:HIS59 2.0 6.4 1.0 NC A:HEM185 2.0 8.9 1.0 ND A:HEM185 2.0 10.7 1.0 N A:NH3186 2.0 7.3 1.0 NA A:HEM185 2.0 7.9 1.0 NB A:HEM185 2.0 9.2 1.0 CE1 A:HIS59 3.0 6.6 1.0 CD2 A:HIS59 3.0 7.3 1.0 C1D A:HEM185 3.0 11.2 1.0 C4A A:HEM185 3.0 8.1 1.0 C4D A:HEM185 3.0 10.8 1.0 C4C A:HEM185 3.0 10.4 1.0 C1C A:HEM185 3.0 9.5 1.0 C1B A:HEM185 3.0 7.6 1.0 C4B A:HEM185 3.0 10.4 1.0 C1A A:HEM185 3.1 8.5 1.0 CHB A:HEM185 3.4 9.5 1.0 CHC A:HEM185 3.4 10.9 1.0 CHA A:HEM185 3.4 8.4 1.0 CHD A:HEM185 3.4 11.6 1.0 ND1 A:HIS59 4.1 7.6 1.0 CG A:HIS59 4.1 8.9 1.0 C2C A:HEM185 4.2 11.8 1.0 C3C A:HEM185 4.2 11.5 1.0 C3D A:HEM185 4.3 12.5 1.0 C2D A:HEM185 4.3 11.7 1.0 C3A A:HEM185 4.3 8.5 1.0 C3B A:HEM185 4.3 9.4 1.0 C2A A:HEM185 4.3 8.7 1.0 C2B A:HEM185 4.3 9.8 1.0 O A:HOH240 4.3 27.2 1.0 CD2 A:LEU133 4.8 12.7 1.0

R.E.Berry, M.N.Shokhirev, A.Y.Ho, F.Yang, T.K.Shokhireva, H.Zhang, A.Weichsel, W.R.Montfort, F.A.Walker. Effect of Mutation of Carboxyl Side-Chain Amino Acids Near the Heme on the Midpoint Potentials and Ligand Binding Constants of Nitrophorin 2 and Its No, Histamine, and Imidazole Complexes. J.Am.Chem.Soc. V. 131 2313 2009.
ISSN: ISSN 0002-7863
PubMed: 19175316
DOI: 10.1021/JA808105D