Iron in PDB 1gwi: The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems

The structure of The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems, PDB code: 1gwi was solved by L.M.Podust, Y.Kim, M.Arase, B.A.Neely, B.J.Beck, H.Bach, D.H.Sherman, D.C.Lamb, S.L.Kelly, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.70 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.728, 131.973, 134.886, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 22.8

The binding sites of Iron atom in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems (pdb code 1gwi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems, PDB code: 1gwi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1414 b:31.6 occ:1.00 FE A:HEM1414 0.0 31.6 1.0 ND A:HEM1414 2.0 22.2 1.0 NB A:HEM1414 2.0 21.7 1.0 NC A:HEM1414 2.0 21.1 1.0 NA A:HEM1414 2.0 20.3 1.0 O A:HOH2145 2.4 40.1 1.0 SG A:CYS355 2.5 35.0 1.0 C4D A:HEM1414 3.0 22.6 1.0 C1C A:HEM1414 3.0 21.4 1.0 C1B A:HEM1414 3.0 20.7 1.0 C1A A:HEM1414 3.0 21.3 1.0 C1D A:HEM1414 3.1 23.5 1.0 C4B A:HEM1414 3.1 21.7 1.0 C4A A:HEM1414 3.1 20.3 1.0 C4C A:HEM1414 3.1 21.9 1.0 CB A:CYS355 3.4 21.1 1.0 CHA A:HEM1414 3.4 21.8 1.0 CHC A:HEM1414 3.4 21.2 1.0 CHB A:HEM1414 3.4 19.9 1.0 CHD A:HEM1414 3.4 22.8 1.0 O A:ALA242 4.2 22.3 1.0 O A:HOH2177 4.2 41.9 1.0 CA A:CYS355 4.2 22.2 1.0 C2B A:HEM1414 4.3 19.9 1.0 C3B A:HEM1414 4.3 21.2 1.0 C3D A:HEM1414 4.3 23.2 1.0 C2D A:HEM1414 4.3 23.1 1.0 C2A A:HEM1414 4.3 22.4 1.0 C3A A:HEM1414 4.3 21.9 1.0 C2C A:HEM1414 4.3 21.6 1.0 C3C A:HEM1414 4.3 22.6 1.0 CB A:ALA242 4.6 22.3 1.0 C A:ALA242 4.8 22.2 1.0 N A:GLY357 5.0 22.8 1.0 C A:CYS355 5.0 22.1 1.0

Iron binding site 2 out of 2 in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1412 b:18.9 occ:1.00 FE B:HEM1412 0.0 18.9 1.0 ND B:HEM1412 2.0 20.9 1.0 NB B:HEM1412 2.0 20.6 1.0 NC B:HEM1412 2.0 20.1 1.0 NA B:HEM1412 2.0 20.7 1.0 SG B:CYS355 2.5 26.2 1.0 O B:HOH2162 2.5 40.1 1.0 C4D B:HEM1412 3.0 20.7 1.0 C1B B:HEM1412 3.0 20.1 1.0 C1A B:HEM1412 3.0 21.0 1.0 C1D B:HEM1412 3.0 20.2 1.0 C1C B:HEM1412 3.0 19.2 1.0 C4B B:HEM1412 3.1 19.2 1.0 C4A B:HEM1412 3.1 20.9 1.0 C4C B:HEM1412 3.1 19.7 1.0 CB B:CYS355 3.4 20.7 1.0 CHA B:HEM1412 3.4 20.5 1.0 CHB B:HEM1412 3.4 21.5 1.0 CHD B:HEM1412 3.4 20.4 1.0 CHC B:HEM1412 3.4 18.6 1.0 CA B:CYS355 4.2 22.3 1.0 C3D B:HEM1412 4.3 19.9 1.0 C2D B:HEM1412 4.3 20.4 1.0 C2A B:HEM1412 4.3 21.1 1.0 C2B B:HEM1412 4.3 18.6 1.0 C3B B:HEM1412 4.3 19.4 1.0 C3A B:HEM1412 4.3 20.5 1.0 C2C B:HEM1412 4.3 19.9 1.0 C3C B:HEM1412 4.3 19.0 1.0 O B:ALA242 4.3 20.6 1.0 CB B:ALA242 4.5 20.4 1.0 C B:ALA242 4.8 19.7 1.0 C B:CYS355 5.0 21.6 1.0 N B:GLY357 5.0 21.7 1.0

L.M.Podust, Y.Kim, M.Arase, B.A.Neely, B.J.Beck, H.Bach, D.H.Sherman, D.C.Lamb, S.L.Kelly, M.R.Waterman. The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems J.Biol.Chem. V. 278 12214 2003.
ISSN: ISSN 0021-9258
PubMed: 12519772
DOI: 10.1074/JBC.M212210200