Iron in PDB 3e5l: Crystal Structure of CYP105P1 H72A Mutant

The structure of Crystal Structure of CYP105P1 H72A Mutant, PDB code: 3e5l was solved by L.H.Xu, S.Fushinobu, H.Ikeda, T.Wakagi, H.Shoun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.23 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.635, 88.635, 191.473, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.5

The binding sites of Iron atom in the Crystal Structure of CYP105P1 H72A Mutant (pdb code 3e5l). 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 CYP105P1 H72A Mutant, PDB code: 3e5l:

Iron binding site 1 out of 1 in the Crystal Structure of CYP105P1 H72A Mutant


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 CYP105P1 H72A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1408 b:37.4 occ:1.00 FE A:HEM1408 0.0 37.4 1.0 NC A:HEM1408 2.0 36.7 1.0 NA A:HEM1408 2.0 37.7 1.0 NB A:HEM1408 2.0 31.9 1.0 ND A:HEM1408 2.1 37.4 1.0 SG A:CYS348 2.4 35.7 1.0 O A:HOH1456 2.7 49.1 1.0 C4C A:HEM1408 2.9 35.4 1.0 C4A A:HEM1408 3.0 34.4 1.0 C1B A:HEM1408 3.0 30.9 1.0 C1D A:HEM1408 3.1 35.6 1.0 C4D A:HEM1408 3.1 38.6 1.0 C1A A:HEM1408 3.1 38.7 1.0 C4B A:HEM1408 3.2 34.3 1.0 C1C A:HEM1408 3.2 35.3 1.0 CB A:CYS348 3.3 35.1 1.0 CHD A:HEM1408 3.3 35.0 1.0 CHB A:HEM1408 3.4 35.7 1.0 CHA A:HEM1408 3.6 36.9 1.0 CHC A:HEM1408 3.6 35.4 1.0 CA A:CYS348 3.9 35.8 1.0 C3C A:HEM1408 4.1 35.0 1.0 C3A A:HEM1408 4.2 36.4 1.0 C2B A:HEM1408 4.3 32.1 1.0 C2A A:HEM1408 4.3 36.3 1.0 O A:ALA237 4.3 26.7 1.0 C3D A:HEM1408 4.3 35.7 1.0 C3B A:HEM1408 4.3 33.0 1.0 C2D A:HEM1408 4.3 36.7 1.0 C2C A:HEM1408 4.4 31.1 1.0 O A:HOH1539 4.5 71.2 1.0 CB A:ALA237 4.6 21.8 1.0 C A:CYS348 4.8 35.6 1.0 N A:ILE349 4.9 35.8 1.0 C A:ALA237 4.9 25.9 1.0 N A:GLY350 5.0 36.9 1.0

L.H.Xu, S.Fushinobu, H.Ikeda, T.Wakagi, H.Shoun. Crystal Structures of Cytochrome P450 105P1 From Streptomyces Avermitilis: Conformational Flexibility and Histidine Ligation State J.Bacteriol. V. 191 1211 2009.
ISSN: ISSN 0021-9193
PubMed: 19074393
DOI: 10.1128/JB.01276-08