Iron in PDB 1se6: Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways

The structure of Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways, PDB code: 1se6 was solved by B.Zhao, D.C.Lamb, L.Lei, M.Sundaramoorthy, L.M.Podust, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.90 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.554, 79.206, 87.430, 90.00, 92.26, 90.00
R / Rfree (%)	23.4 / 26.8

The binding sites of Iron atom in the Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways (pdb code 1se6). 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 Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways, PDB code: 1se6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways


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 Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe430 b:9.7 occ:1.00 FE A:HEM430 0.0 9.7 1.0 ND A:HEM430 2.0 9.0 1.0 NC A:HEM430 2.0 9.7 1.0 NB A:HEM430 2.0 9.1 1.0 NA A:HEM430 2.0 9.3 1.0 O A:HOH771 2.3 17.6 1.0 SG A:CYS353 2.4 10.8 1.0 C1C A:HEM430 3.0 9.6 1.0 C1D A:HEM430 3.0 8.0 1.0 C4D A:HEM430 3.0 9.2 1.0 C1A A:HEM430 3.1 10.9 1.0 C4C A:HEM430 3.1 9.2 1.0 C1B A:HEM430 3.1 8.1 1.0 C4A A:HEM430 3.1 10.7 1.0 C4B A:HEM430 3.1 9.5 1.0 CB A:CYS353 3.3 9.1 1.0 CHD A:HEM430 3.4 9.4 1.0 CHA A:HEM430 3.4 10.5 1.0 CHC A:HEM430 3.4 8.9 1.0 CHB A:HEM430 3.4 8.5 1.0 O A:HOH760 4.1 18.1 1.0 CA A:CYS353 4.2 8.8 1.0 C2D A:HEM430 4.3 8.6 1.0 C3D A:HEM430 4.3 7.0 1.0 C2A A:HEM430 4.3 9.6 1.0 C2C A:HEM430 4.3 10.8 1.0 C3A A:HEM430 4.3 10.2 1.0 C3C A:HEM430 4.3 11.5 1.0 C2B A:HEM430 4.3 6.8 1.0 C3B A:HEM430 4.3 9.3 1.0 O A:HOH798 4.5 20.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways


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 Streptomyces Coelicolor A3(2) CYP158A2 From Antibiotic Biosynthetic Pathways within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe430 b:8.8 occ:1.00 FE B:HEM430 0.0 8.8 1.0 ND B:HEM430 2.0 8.3 1.0 NC B:HEM430 2.0 9.4 1.0 NB B:HEM430 2.0 9.1 1.0 NA B:HEM430 2.0 9.7 1.0 O B:HOH534 2.3 17.9 1.0 SG B:CYS353 2.4 11.2 1.0 C1C B:HEM430 3.0 8.8 1.0 C4D B:HEM430 3.0 8.6 1.0 C1D B:HEM430 3.0 10.3 1.0 C1B B:HEM430 3.1 7.0 1.0 C1A B:HEM430 3.1 10.8 1.0 C4C B:HEM430 3.1 9.9 1.0 C4B B:HEM430 3.1 9.3 1.0 C4A B:HEM430 3.1 10.2 1.0 CB B:CYS353 3.4 7.8 1.0 CHA B:HEM430 3.4 10.0 1.0 CHD B:HEM430 3.4 9.1 1.0 CHB B:HEM430 3.4 9.3 1.0 CHC B:HEM430 3.4 9.2 1.0 O B:HOH525 4.2 17.9 1.0 O B:HOH567 4.2 19.4 1.0 CA B:CYS353 4.2 7.5 1.0 C2D B:HEM430 4.3 9.2 1.0 C3D B:HEM430 4.3 9.3 1.0 O B:HOH535 4.3 13.3 1.0 C2C B:HEM430 4.3 10.2 1.0 C2B B:HEM430 4.3 6.3 1.0 C3A B:HEM430 4.3 11.7 1.0 C3C B:HEM430 4.3 11.6 1.0 C2A B:HEM430 4.3 11.0 1.0 C3B B:HEM430 4.3 8.6 1.0 C B:CYS353 5.0 7.1 1.0

B.Zhao, F.P.Guengerich, A.Bellamine, D.C.Lamb, M.Izumikawa, L.Lei, L.M.Podust, M.Sundaramoorthy, J.A.Kalaitzis, L.M.Reddy, S.L.Kelly, B.S.Moore, D.Stec, M.Voehler, J.R.Falck, T.Shimada, M.R.Waterman. Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces Coelicolor A3(2) Cytochrome P450 158A2. J.Biol.Chem. V. 280 11599 2005.
ISSN: ISSN 0021-9258
PubMed: 15659395
DOI: 10.1074/JBC.M410933200