Iron in PDB 2y5a: Cytochrome C Peroxidase (Ccp) W191G Bound to 3-Aminopyridine

All present enzymatic activity of Cytochrome C Peroxidase (Ccp) W191G Bound to 3-Aminopyridine:
1.11.1.5;

The structure of Cytochrome C Peroxidase (Ccp) W191G Bound to 3-Aminopyridine, PDB code: 2y5a was solved by D.Cappel, R.Wahlstrom, R.Brenk, C.A.Sotriffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.18 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.853, 75.362, 106.884, 90.00, 90.00, 90.00
R / Rfree (%)	14.952 / 16.388

The binding sites of Iron atom in the Cytochrome C Peroxidase (Ccp) W191G Bound to 3-Aminopyridine (pdb code 2y5a). 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 Cytochrome C Peroxidase (Ccp) W191G Bound to 3-Aminopyridine, PDB code: 2y5a:

Iron binding site 1 out of 1 in the Cytochrome C Peroxidase (Ccp) W191G Bound to 3-Aminopyridine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C Peroxidase (Ccp) W191G Bound to 3-Aminopyridine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:10.6 occ:1.00 FE A:HEM1001 0.0 10.6 1.0 NB A:HEM1001 2.0 10.9 1.0 NC A:HEM1001 2.0 10.5 1.0 NA A:HEM1001 2.0 11.5 1.0 ND A:HEM1001 2.1 11.3 1.0 NE2 A:HIS175 2.1 11.0 1.0 C1C A:HEM1001 3.0 9.9 1.0 CE1 A:HIS175 3.0 10.2 1.0 C4B A:HEM1001 3.0 10.3 1.0 C1B A:HEM1001 3.0 10.7 1.0 C1A A:HEM1001 3.1 11.7 1.0 C1D A:HEM1001 3.1 10.4 1.0 C4C A:HEM1001 3.1 10.0 1.0 C4A A:HEM1001 3.1 11.7 1.0 C4D A:HEM1001 3.1 11.1 1.0 CD2 A:HIS175 3.1 11.1 1.0 CHC A:HEM1001 3.4 10.2 1.0 CHD A:HEM1001 3.4 10.1 1.0 CHB A:HEM1001 3.4 11.1 1.0 CHA A:HEM1001 3.4 11.7 1.0 NE1 A:TRP51 4.0 13.4 1.0 NE A:ARG48 4.1 12.4 0.6 ND1 A:HIS175 4.2 10.8 1.0 CG A:HIS175 4.2 10.4 1.0 O A:HOH2113 4.2 17.7 1.0 C2B A:HEM1001 4.3 11.2 1.0 C3B A:HEM1001 4.3 11.0 1.0 C2C A:HEM1001 4.3 10.2 1.0 C3C A:HEM1001 4.3 10.1 1.0 C3A A:HEM1001 4.3 12.5 1.0 C2A A:HEM1001 4.3 12.1 1.0 C2D A:HEM1001 4.3 11.3 1.0 C3D A:HEM1001 4.3 11.8 1.0 C5 A:3AP1295 4.5 14.0 1.0 CD1 A:TRP51 4.5 12.8 1.0 NH2 A:ARG48 4.6 11.8 0.6 CG A:ARG48 4.8 12.0 0.6 CZ A:ARG48 4.8 12.4 0.6 CD A:ARG48 4.9 12.1 0.6 C4 A:3AP1295 5.0 14.1 1.0

D.Cappel, R.Wahlstrom, R.Brenk, C.A.Sotriffer. Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in A Model Binding Site. J.Chem.Inf.Model V. 51 2581 2011.
ISSN: ISSN 1549-9596
PubMed: 21916516
DOI: 10.1021/CI200052J