Iron in PDB 4jpu: Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with Benzamidine

All present enzymatic activity of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with Benzamidine:
1.11.1.5;

The structure of Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with Benzamidine, PDB code: 4jpu was solved by S.E.Boyce, M.Fischer, I.Fish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.16 / 1.41
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.851, 74.809, 106.753, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.2

The binding sites of Iron atom in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with Benzamidine (pdb code 4jpu). 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 Cytochrome C Peroxidase W191G-Gateless in Complex with Benzamidine, PDB code: 4jpu:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome C Peroxidase W191G-Gateless in Complex with Benzamidine


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 Cytochrome C Peroxidase W191G-Gateless in Complex with Benzamidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:14.7 occ:1.00 FE A:HEM301 0.0 14.7 1.0 NC A:HEM301 2.0 13.2 1.0 NA A:HEM301 2.0 14.8 1.0 NB A:HEM301 2.0 15.8 1.0 ND A:HEM301 2.1 15.9 1.0 NE2 A:HIS175 2.1 14.3 1.0 O A:HOH433 2.3 17.4 1.0 CE1 A:HIS175 3.0 13.8 1.0 C4B A:HEM301 3.1 15.3 1.0 C1C A:HEM301 3.1 14.4 1.0 C4D A:HEM301 3.1 15.5 1.0 C4C A:HEM301 3.1 14.5 1.0 C4A A:HEM301 3.1 14.0 1.0 C1D A:HEM301 3.1 14.4 1.0 C1B A:HEM301 3.1 15.5 1.0 C1A A:HEM301 3.1 15.5 1.0 CD2 A:HIS175 3.1 14.0 1.0 CHB A:HEM301 3.4 14.8 1.0 CHD A:HEM301 3.4 13.6 1.0 CHC A:HEM301 3.4 14.2 1.0 CHA A:HEM301 3.4 14.8 1.0 NE1 A:TRP51 4.0 17.6 1.0 ND1 A:HIS175 4.1 13.4 1.0 NE A:ARG48 4.2 23.6 0.5 CG A:HIS175 4.2 13.7 1.0 C3D A:HEM301 4.2 15.1 1.0 C2D A:HEM301 4.2 13.5 1.0 C3B A:HEM301 4.3 14.7 1.0 C2C A:HEM301 4.3 14.6 1.0 C2B A:HEM301 4.3 13.6 1.0 C2A A:HEM301 4.3 16.5 1.0 C3A A:HEM301 4.3 15.4 1.0 C3C A:HEM301 4.3 13.9 1.0 O A:HOH430 4.4 23.5 1.0 CD1 A:TRP51 4.5 16.4 1.0 O A:HOH666 4.5 27.0 0.5 NH2 A:ARG48 4.7 22.1 0.5 C5 A:BEN302 4.8 13.8 1.0 C4 A:BEN302 4.9 16.4 1.0 CZ A:ARG48 5.0 25.7 0.5

G.J.Rocklin, S.E.Boyce, M.Fischer, I.Fish, D.L.Mobley, B.K.Shoichet, K.A.Dill. Blind Prediction of Charged Ligand Binding Affinities in A Model Binding Site. J.Mol.Biol. V. 425 4569 2013.
ISSN: ISSN 0022-2836
PubMed: 23896298
DOI: 10.1016/J.JMB.2013.07.030