Iron in PDB 6w32: Crystal Structure of SFH5

The structure of Crystal Structure of SFH5, PDB code: 6w32 was solved by G.Gulten, D.Khan, A.Aggarwal, I.Krieger, J.C.Sacchettini, V.A.Bankaitis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.32 / 2.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	205.343, 205.343, 68.313, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 30.2

The binding sites of Iron atom in the Crystal Structure of SFH5 (pdb code 6w32). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of SFH5, PDB code: 6w32:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of SFH5


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 SFH5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:53.2 occ:1.00 FE B:HEM301 0.0 53.2 1.0 NB B:HEM301 2.0 53.6 1.0 NA B:HEM301 2.1 48.4 1.0 ND B:HEM301 2.1 48.8 1.0 NC B:HEM301 2.1 47.6 1.0 OH B:TYR175 2.3 48.9 1.0 C4B B:HEM301 3.0 54.8 1.0 C1A B:HEM301 3.0 50.9 1.0 C1C B:HEM301 3.1 50.8 1.0 C1B B:HEM301 3.1 47.7 1.0 C4D B:HEM301 3.1 44.7 1.0 C4C B:HEM301 3.1 48.5 1.0 C4A B:HEM301 3.1 46.9 1.0 C1D B:HEM301 3.1 47.1 1.0 CZ B:TYR175 3.1 49.5 1.0 CHC B:HEM301 3.4 48.1 1.0 CHA B:HEM301 3.4 52.0 1.0 CHD B:HEM301 3.4 43.5 1.0 CHB B:HEM301 3.4 50.1 1.0 CE1 B:TYR175 3.7 48.0 1.0 CD1 B:ILE225 4.0 51.5 1.0 OG B:SER191 4.0 55.9 1.0 CE2 B:TYR175 4.1 48.1 1.0 ND1 B:HIS173 4.2 43.1 1.0 C3B B:HEM301 4.3 52.8 1.0 C2B B:HEM301 4.3 47.6 1.0 C2A B:HEM301 4.3 46.5 1.0 C2C B:HEM301 4.3 53.5 1.0 C3C B:HEM301 4.3 50.1 1.0 C3D B:HEM301 4.3 44.3 1.0 C3A B:HEM301 4.3 48.6 1.0 C2D B:HEM301 4.3 46.3 1.0 CE1 B:HIS173 4.7 44.3 1.0 CD1 B:TYR175 4.8 47.6 1.0

Iron binding site 2 out of 3 in the Crystal Structure of SFH5


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 SFH5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:63.2 occ:1.00 FE A:HEM301 0.0 63.2 1.0 NB A:HEM301 2.1 64.4 1.0 ND A:HEM301 2.1 61.0 1.0 NA A:HEM301 2.1 64.5 1.0 NC A:HEM301 2.1 60.1 1.0 OH A:TYR175 2.4 55.7 1.0 C1D A:HEM301 3.0 59.6 1.0 C1A A:HEM301 3.1 69.4 1.0 C4B A:HEM301 3.1 67.1 1.0 C4C A:HEM301 3.1 59.2 1.0 C4D A:HEM301 3.1 62.2 1.0 C4A A:HEM301 3.1 60.8 1.0 C1C A:HEM301 3.1 62.1 1.0 C1B A:HEM301 3.1 68.2 1.0 CHD A:HEM301 3.4 61.1 1.0 CZ A:TYR175 3.4 59.3 1.0 CHA A:HEM301 3.4 61.5 1.0 CHC A:HEM301 3.4 66.0 1.0 CHB A:HEM301 3.5 66.1 1.0 CE1 A:TYR175 4.0 60.3 1.0 CD1 A:ILE225 4.2 68.0 1.0 C2D A:HEM301 4.3 58.2 1.0 CE2 A:TYR175 4.3 57.4 1.0 C3B A:HEM301 4.3 68.1 1.0 C2A A:HEM301 4.3 72.3 1.0 C3D A:HEM301 4.3 61.8 1.0 C3A A:HEM301 4.3 64.5 1.0 C3C A:HEM301 4.3 58.0 1.0 C2B A:HEM301 4.3 68.1 1.0 C2C A:HEM301 4.3 62.7 1.0 ND1 A:HIS173 4.4 60.1 1.0 CE1 A:HIS173 4.6 57.9 1.0 CB A:SER191 4.9 64.5 1.0

Iron binding site 3 out of 3 in the Crystal Structure of SFH5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of SFH5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:67.3 occ:1.00 FE C:HEM301 0.0 67.3 1.0 NB C:HEM301 2.0 55.4 1.0 NA C:HEM301 2.0 63.5 1.0 ND C:HEM301 2.1 60.8 1.0 NC C:HEM301 2.1 53.7 1.0 OH C:TYR175 2.5 62.1 1.0 C1A C:HEM301 3.0 68.0 1.0 C4B C:HEM301 3.0 56.3 1.0 C1D C:HEM301 3.0 65.1 1.0 C4C C:HEM301 3.0 58.3 1.0 C4D C:HEM301 3.1 64.8 1.0 C1C C:HEM301 3.1 59.7 1.0 C4A C:HEM301 3.1 58.9 1.0 C1B C:HEM301 3.1 61.4 1.0 CHD C:HEM301 3.4 64.3 1.0 CHA C:HEM301 3.4 69.3 1.0 CZ C:TYR175 3.4 60.2 1.0 CHC C:HEM301 3.4 60.9 1.0 CHB C:HEM301 3.5 60.2 1.0 CE1 C:TYR175 3.8 55.7 1.0 C3B C:HEM301 4.3 57.9 1.0 C2A C:HEM301 4.3 68.8 1.0 C3C C:HEM301 4.3 57.5 1.0 C3D C:HEM301 4.3 64.8 1.0 C3A C:HEM301 4.3 64.4 1.0 C2D C:HEM301 4.3 61.5 1.0 C2B C:HEM301 4.3 61.2 1.0 C2C C:HEM301 4.3 59.9 1.0 ND1 C:HIS173 4.3 71.3 1.0 CE2 C:TYR175 4.4 61.6 1.0 CD1 C:ILE225 4.7 78.2 1.0 CE1 C:HIS173 4.7 67.3 1.0 CB C:SER191 5.0 63.0 1.0

D.Khan, D.Lee, G.Gulten, A.Aggarwal, J.Wofford, I.Krieger, A.Tripathi, J.W.Patrick, D.M.Eckert, A.Laganowsky, J.Sacchettini, P.Lindahl, V.A.Bankaitis. A SEC14-Like Phosphatidylinositol Transfer Protein Paralog Defines A Novel Class of Heme-Binding Proteins. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 32780017
DOI: 10.7554/ELIFE.57081