Iron in PDB 4ged: Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex

All present enzymatic activity of Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex:
1.11.1.11;

The structure of Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex, PDB code: 4ged was solved by V.S.Jasion, T.Doukov, S.H.Pineda, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.99 / 1.84
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	149.750, 149.750, 36.420, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 19.7

The structure of Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom

The binding sites of Iron atom in the Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex (pdb code 4ged). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex, PDB code: 4ged:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex


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 the Leishmania Major Peroxidase-Cytochrome C Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:41.1 occ:1.00 FE A:HEM401 0.0 41.1 1.0 NA A:HEM401 2.0 41.9 1.0 NC A:HEM401 2.0 43.4 1.0 NB A:HEM401 2.0 38.0 1.0 ND A:HEM401 2.0 42.6 1.0 O A:HOH501 2.2 36.6 1.0 NE2 A:HIS192 2.2 42.0 1.0 C1D A:HEM401 3.0 42.6 1.0 C4C A:HEM401 3.0 41.9 1.0 C1C A:HEM401 3.0 40.7 1.0 C1B A:HEM401 3.0 35.5 1.0 C4D A:HEM401 3.0 43.4 1.0 C1A A:HEM401 3.0 42.7 1.0 C4A A:HEM401 3.0 40.0 1.0 C4B A:HEM401 3.1 39.1 1.0 CE1 A:HIS192 3.2 41.6 1.0 CD2 A:HIS192 3.2 42.5 1.0 CHD A:HEM401 3.4 40.5 1.0 CHB A:HEM401 3.4 36.1 1.0 CHA A:HEM401 3.4 42.7 1.0 HE1 A:HIS192 3.4 41.1 1.0 CHC A:HEM401 3.4 39.4 1.0 HD2 A:HIS192 3.4 42.1 1.0 HE1 A:TRP67 3.4 42.1 1.0 O A:HOH502 3.9 50.2 1.0 O A:HOH504 4.1 49.1 1.0 NE1 A:TRP67 4.2 42.0 1.0 C3A A:HEM401 4.2 40.5 1.0 C2A A:HEM401 4.2 41.6 1.0 C3B A:HEM401 4.3 37.6 1.0 HG3 A:ARG64 4.3 46.3 1.0 C2C A:HEM401 4.3 40.1 1.0 C2B A:HEM401 4.3 36.3 1.0 C3D A:HEM401 4.3 42.8 1.0 C2D A:HEM401 4.3 43.2 1.0 C3C A:HEM401 4.3 43.5 1.0 CG A:HIS192 4.3 41.4 1.0 ND1 A:HIS192 4.3 42.8 1.0 HD1 A:TRP67 4.4 42.3 1.0 CD1 A:TRP67 4.6 42.8 1.0 HH2 A:TRP208 4.7 40.8 1.0 HD2 A:ARG64 4.9 48.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:47.9 occ:1.00 FE B:HEC201 0.0 47.9 1.0 NB B:HEC201 2.0 47.0 1.0 NA B:HEC201 2.0 48.6 1.0 ND B:HEC201 2.0 48.2 1.0 NC B:HEC201 2.0 48.3 1.0 NE2 B:HIS29 2.1 50.0 1.0 SD B:MET91 2.4 51.6 1.0 C1D B:HEC201 3.0 50.5 1.0 C4D B:HEC201 3.0 49.6 1.0 C4C B:HEC201 3.0 47.8 1.0 C4A B:HEC201 3.0 48.7 1.0 C4B B:HEC201 3.0 46.3 1.0 C1A B:HEC201 3.0 48.8 1.0 C1C B:HEC201 3.1 47.2 1.0 CE1 B:HIS29 3.1 50.5 1.0 C1B B:HEC201 3.1 48.2 1.0 CD2 B:HIS29 3.1 50.8 1.0 HE1 B:HIS29 3.2 51.1 1.0 CE B:MET91 3.4 48.2 1.0 CHD B:HEC201 3.4 48.6 1.0 HE1 B:MET91 3.4 48.1 1.0 CHB B:HEC201 3.4 47.7 1.0 HD2 B:HIS29 3.4 50.7 1.0 HG3 B:MET91 3.4 50.4 1.0 CHA B:HEC201 3.4 49.1 1.0 CHC B:HEC201 3.4 46.4 1.0 HE3 B:MET91 3.5 48.3 1.0 CG B:MET91 3.6 51.3 1.0 HD11 B:LEU43 3.9 50.5 1.0 HB2 B:MET91 4.0 50.5 1.0 HH B:TYR78 4.1 58.2 1.0 ND1 B:HIS29 4.2 52.4 1.0 C2D B:HEC201 4.2 52.3 1.0 CG B:HIS29 4.2 51.1 1.0 C3C B:HEC201 4.3 48.2 1.0 C2B B:HEC201 4.3 47.8 1.0 C2A B:HEC201 4.3 50.3 1.0 C3B B:HEC201 4.3 48.3 1.0 C3D B:HEC201 4.3 52.0 1.0 C2C B:HEC201 4.3 48.1 1.0 C3A B:HEC201 4.3 50.3 1.0 HE2 B:MET91 4.4 48.9 1.0 CB B:MET91 4.4 50.9 1.0 HG2 B:MET91 4.4 51.3 1.0 HE2 B:TYR78 4.5 51.9 1.0 HD21 B:LEU43 4.7 53.9 1.0 HD2 B:PRO41 4.7 52.0 1.0 HA3 B:GLY40 4.8 51.0 1.0 OH B:TYR78 5.0 58.8 1.0 HB2 B:PHE93 5.0 53.0 1.0

V.S.Jasion, T.Doukov, S.H.Pineda, H.Li, T.L.Poulos. Crystal Structure of the Leishmania Major Peroxidase-Cytochrome C Complex. Proc.Natl.Acad.Sci.Usa V. 109 18390 2012.
ISSN: ISSN 0027-8424
PubMed: 23100535
DOI: 10.1073/PNAS.1213295109