Iron in PDB 2fct: SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate

The structure of SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate, PDB code: 2fct was solved by L.C.Blasiak, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.80 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.150, 89.600, 124.890, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.4

The structure of SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate (pdb code 2fct). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate, PDB code: 2fct:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:10.1 occ:1.00 O2 A:AKG897 2.0 12.0 1.0 NE2 A:HIS116 2.2 6.5 1.0 O5 A:AKG897 2.2 11.3 1.0 NE2 A:HIS235 2.2 8.6 1.0 O A:HOH1072 2.2 14.6 1.0 CL A:CL901 2.5 13.6 1.0 C1 A:AKG897 2.8 12.7 1.0 C2 A:AKG897 2.9 14.2 1.0 CE1 A:HIS116 3.1 6.9 1.0 CD2 A:HIS116 3.1 7.5 1.0 CE1 A:HIS235 3.2 9.0 1.0 CD2 A:HIS235 3.2 7.5 1.0 O A:HOH915 3.7 15.8 1.0 O1 A:AKG897 4.0 14.7 1.0 NH1 A:ARG254 4.1 10.8 1.0 ND1 A:HIS116 4.2 6.3 1.0 CG A:HIS116 4.3 7.9 1.0 ND1 A:HIS235 4.3 7.3 1.0 CG A:HIS235 4.3 7.9 1.0 C3 A:AKG897 4.3 14.4 1.0 O A:HOH946 4.4 17.2 1.0 NH2 A:ARG254 4.4 12.3 1.0 CZ A:ARG254 4.7 12.5 1.0 C4 A:AKG897 4.9 14.0 1.0

Iron binding site 2 out of 2 in the SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of SYRB2 with Fe(II), Chloride, and Alpha-Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe899 b:11.9 occ:1.00 O2 B:AKG898 2.0 13.8 1.0 NE2 B:HIS116 2.1 12.1 1.0 NE2 B:HIS235 2.2 9.8 1.0 O B:HOH1019 2.3 16.1 1.0 O5 B:AKG898 2.3 11.9 1.0 CL B:CL902 2.4 19.4 1.0 C1 B:AKG898 2.9 11.4 1.0 C2 B:AKG898 2.9 13.5 1.0 CE1 B:HIS116 3.1 13.0 1.0 CD2 B:HIS116 3.1 11.1 1.0 CE1 B:HIS235 3.1 9.2 1.0 CD2 B:HIS235 3.2 11.4 1.0 O B:HOH927 3.7 14.5 1.0 O1 B:AKG898 4.1 13.2 1.0 ND1 B:HIS116 4.2 10.8 1.0 CG B:HIS116 4.3 11.3 1.0 ND1 B:HIS235 4.3 9.2 1.0 NH1 B:ARG254 4.3 14.7 1.0 CG B:HIS235 4.3 8.8 1.0 C3 B:AKG898 4.4 13.4 1.0 NH2 B:ARG254 4.5 17.5 1.0 CZ B:ARG254 4.9 15.4 1.0 C4 B:AKG898 5.0 13.7 1.0

L.C.Blasiak, F.H.Vaillancourt, C.T.Walsh, C.L.Drennan. Crystal Structure of the Non-Haem Iron Halogenase SYRB2 in Syringomycin Biosynthesis. Nature V. 440 368 2006.
ISSN: ISSN 0028-0836
PubMed: 16541079
DOI: 10.1038/NATURE04544