Iron in PDB 5y1i: The Crystal Structure of Gfsf

The structure of The Crystal Structure of Gfsf, PDB code: 5y1i was solved by A.Miyanaga, F.Kudo, T.Eguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.49 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.080, 102.870, 114.430, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.6

The binding sites of Iron atom in the The Crystal Structure of Gfsf (pdb code 5y1i). 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 Crystal Structure of Gfsf, PDB code: 5y1i:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Crystal Structure of Gfsf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Gfsf within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:15.6 occ:1.00 FE A:HEM501 0.0 15.6 1.0 ND A:HEM501 1.9 14.0 1.0 NA A:HEM501 2.0 15.6 1.0 O A:HOH654 2.0 23.7 1.0 NB A:HEM501 2.1 13.7 1.0 NC A:HEM501 2.1 14.7 1.0 SG A:CYS363 2.2 18.1 1.0 C1D A:HEM501 2.9 14.1 1.0 C4A A:HEM501 3.0 15.9 1.0 C1B A:HEM501 3.0 13.9 1.0 C4D A:HEM501 3.0 14.7 1.0 C4B A:HEM501 3.0 13.9 1.0 C1A A:HEM501 3.0 16.0 1.0 C4C A:HEM501 3.0 14.7 1.0 C1C A:HEM501 3.1 14.3 1.0 CHB A:HEM501 3.3 15.7 1.0 CHD A:HEM501 3.3 14.7 1.0 CB A:CYS363 3.4 18.9 1.0 CHA A:HEM501 3.4 16.1 1.0 CHC A:HEM501 3.4 13.0 1.0 CA A:CYS363 4.0 17.6 1.0 C3A A:HEM501 4.2 17.3 1.0 C2A A:HEM501 4.2 17.3 1.0 C2B A:HEM501 4.2 13.2 1.0 C2D A:HEM501 4.2 14.8 1.0 C3B A:HEM501 4.2 13.1 1.0 C3C A:HEM501 4.2 16.2 1.0 C3D A:HEM501 4.3 15.0 1.0 C2C A:HEM501 4.3 14.7 1.0 O A:ALA248 4.4 22.8 1.0 C A:CYS363 4.7 18.2 1.0 N A:GLY365 4.7 16.7 1.0 C4 A:PEG502 4.7 56.9 1.0 N A:LEU364 4.8 18.0 1.0

Iron binding site 2 out of 2 in the The Crystal Structure of Gfsf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Gfsf within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:14.9 occ:1.00 FE B:HEM501 0.0 14.9 1.0 NA B:HEM501 1.9 14.1 1.0 ND B:HEM501 2.0 13.7 1.0 NB B:HEM501 2.0 11.6 1.0 O B:HOH638 2.0 17.9 1.0 NC B:HEM501 2.1 13.4 1.0 SG B:CYS363 2.3 18.2 1.0 C1D B:HEM501 2.9 12.6 1.0 C1A B:HEM501 3.0 13.9 1.0 C4A B:HEM501 3.0 12.3 1.0 C4B B:HEM501 3.0 12.3 1.0 C4D B:HEM501 3.0 13.7 1.0 C1B B:HEM501 3.0 11.7 1.0 C4C B:HEM501 3.1 13.5 1.0 C1C B:HEM501 3.1 13.1 1.0 CHB B:HEM501 3.4 12.4 1.0 CHD B:HEM501 3.4 13.2 1.0 CHA B:HEM501 3.4 14.3 1.0 CHC B:HEM501 3.4 12.5 1.0 CB B:CYS363 3.5 16.5 1.0 CA B:CYS363 4.1 15.8 1.0 C3A B:HEM501 4.1 13.3 1.0 C2A B:HEM501 4.1 13.9 1.0 C2D B:HEM501 4.2 13.5 1.0 C2B B:HEM501 4.3 11.0 1.0 C2C B:HEM501 4.3 13.4 1.0 C3D B:HEM501 4.3 14.1 1.0 C3C B:HEM501 4.3 13.2 1.0 C3B B:HEM501 4.3 11.7 1.0 O B:ALA248 4.4 28.3 1.0 O2 B:PEG502 4.5 37.9 1.0 N B:GLY365 4.8 16.1 1.0 C B:CYS363 4.8 15.2 1.0 N B:LEU364 4.9 15.0 1.0 CB B:ALA248 5.0 25.1 1.0

A.Miyanaga, R.Takayanagi, T.Furuya, A.Kawamata, T.Itagaki, Y.Iwabuchi, N.Kanoh, F.Kudo, T.Eguchi. Substrate Recognition By A Dual-Function P450 Monooxygenase Gfsf Involved in Fd-891 Biosynthesis Chembiochem V. 18 2179 2017.
ISSN: ESSN 1439-7633
PubMed: 28869713
DOI: 10.1002/CBIC.201700429