Iron in PDB 1ml7: Crystal Structure of Nitrophorin 4 Complexed with 4-Iodopyrazole

The structure of Crystal Structure of Nitrophorin 4 Complexed with 4-Iodopyrazole, PDB code: 1ml7 was solved by R.E.Berry, X.D.Ding, A.Weichsel, W.R.Montfort, F.A.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.40 / 1.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.404, 42.763, 52.769, 90.00, 94.05, 90.00
R / Rfree (%)	14.5 / 19.4

The structure of Crystal Structure of Nitrophorin 4 Complexed with 4-Iodopyrazole also contains other interesting chemical elements:

Iodine

(I)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Nitrophorin 4 Complexed with 4-Iodopyrazole (pdb code 1ml7). 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 Nitrophorin 4 Complexed with 4-Iodopyrazole, PDB code: 1ml7:

Iron binding site 1 out of 1 in the Crystal Structure of Nitrophorin 4 Complexed with 4-Iodopyrazole


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 Nitrophorin 4 Complexed with 4-Iodopyrazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe185 b:5.8 occ:1.00 FE A:HEV185 0.0 5.8 1.0 NA A:HEV185 2.0 7.0 1.0 N1 A:PYZ186 2.0 6.8 1.0 NB A:HEV185 2.0 7.5 1.0 NE2 A:HIS59 2.0 6.1 1.0 NC A:HEV185 2.0 6.8 1.0 ND A:HEV185 2.0 7.0 1.0 C1C A:HEV185 3.0 6.5 1.0 N2 A:PYZ186 3.0 6.6 1.0 CE1 A:HIS59 3.0 6.4 1.0 C1A A:HEV185 3.0 6.8 1.0 C4A A:HEV185 3.0 7.8 1.0 C5 A:PYZ186 3.0 7.6 1.0 CD2 A:HIS59 3.0 7.0 1.0 C4B A:HEV185 3.0 7.0 1.0 C4C A:HEV185 3.0 8.6 1.0 C1B A:HEV185 3.1 7.2 1.0 C4D A:HEV185 3.1 7.3 1.0 C1D A:HEV185 3.1 7.9 1.0 CHC A:HEV185 3.4 7.7 1.0 CHA A:HEV185 3.4 7.6 1.0 CHB A:HEV185 3.4 7.2 1.0 CHD A:HEV185 3.5 7.9 1.0 ND1 A:HIS59 4.1 5.8 1.0 CG A:HIS59 4.2 6.3 1.0 C3 A:PYZ186 4.2 7.3 1.0 C4 A:PYZ186 4.2 8.0 1.0 C2C A:HEV185 4.3 8.4 1.0 C2A A:HEV185 4.3 8.0 1.0 C3A A:HEV185 4.3 8.2 1.0 C3D A:HEV185 4.3 8.9 1.0 C2D A:HEV185 4.3 9.2 1.0 C3B A:HEV185 4.3 7.9 1.0 C2B A:HEV185 4.3 7.2 1.0 C3C A:HEV185 4.3 8.2 1.0 CD2 A:LEU123 5.0 7.7 1.0 CD2 A:LEU133 5.0 11.4 1.0

R.E.Berry, X.D.Ding, T.K.Shokhireva, A.Weichsel, W.R.Montfort, F.A.Walker. Axial Ligand Complexes of the Rhodnius Nitrophorins: Reduction Potentials, Binding Constants, Epr Spectra, and Structures of the 4-Iodopyrazole and Imidazole Complexes of NP4 J.Biol.Inorg.Chem. V. 9 135 2004.
ISSN: ISSN 0949-8257
PubMed: 14673714
DOI: 10.1007/S00775-003-0505-0