Iron in PDB 7qp5: Crystal Structure of E. Coli Fhuf

The structure of Crystal Structure of E. Coli Fhuf, PDB code: 7qp5 was solved by I.B.Trindade, F.Rollo, P.M.Matias, E.Moe, R.O.Louro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.95 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.912, 73.574, 71.878, 90, 113.44, 90
R / Rfree (%)	20.9 / 25.2

The binding sites of Iron atom in the Crystal Structure of E. Coli Fhuf (pdb code 7qp5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of E. Coli Fhuf, PDB code: 7qp5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of E. Coli Fhuf


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 E. Coli Fhuf within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:22.9 occ:1.00 FE1 A:FES301 0.0 22.9 1.0 S1 A:FES301 2.2 27.3 1.0 S2 A:FES301 2.2 34.8 1.0 SG A:CYS245 2.3 26.3 1.0 SG A:CYS256 2.3 38.2 1.0 FE2 A:FES301 2.7 32.2 1.0 HB2 A:CYS256 2.8 36.3 1.0 H A:CYS256 3.0 54.6 1.0 CB A:CYS256 3.1 30.2 1.0 HG2 A:ARG247 3.2 37.8 1.0 H A:CYS245 3.2 28.5 1.0 HE A:ARG247 3.6 47.4 1.0 CB A:CYS245 3.6 26.2 1.0 HB3 A:CYS245 3.6 31.6 1.0 N A:CYS256 3.8 45.4 1.0 H A:ARG247 3.8 34.3 1.0 HB3 A:CYS256 3.9 36.3 1.0 N A:CYS245 3.9 23.7 1.0 HB2 A:CYS259 4.0 38.6 1.0 H A:GLN246 4.0 47.6 1.0 CA A:CYS256 4.1 44.4 1.0 CG A:ARG247 4.1 31.4 1.0 CA A:CYS245 4.2 28.0 1.0 SG A:CYS244 4.2 24.9 1.0 NE A:ARG247 4.3 39.4 1.0 HB2 A:CYS245 4.4 31.6 1.0 N A:GLN246 4.4 39.6 1.0 HB3 A:ARG247 4.4 31.9 1.0 HA A:GLN255 4.5 42.6 1.0 HA A:CYS259 4.5 52.5 1.0 N A:ARG247 4.6 28.5 1.0 C A:CYS245 4.6 22.1 1.0 HG3 A:ARG247 4.7 37.8 1.0 HA A:CYS256 4.7 53.4 1.0 CD A:ARG247 4.7 28.8 1.0 HA A:CYS244 4.7 33.5 1.0 CB A:CYS259 4.7 32.1 1.0 SG A:CYS259 4.7 38.8 1.0 NH2 A:ARG241 4.7 34.3 1.0 HD2 A:ARG247 4.8 34.7 1.0 CB A:ARG247 4.8 26.5 1.0 H A:TYR248 4.8 24.4 1.0 CZ A:ARG241 4.8 34.8 1.0 HH21 A:ARG247 4.8 29.2 1.0 HH22 A:ARG241 4.8 41.3 1.0 HH21 A:ARG241 4.9 41.3 1.0 C A:GLN255 4.9 39.0 1.0 C A:CYS244 5.0 23.6 1.0 HD2 A:TYR248 5.0 35.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of E. Coli Fhuf


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 E. Coli Fhuf within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:32.2 occ:1.00 FE2 A:FES301 0.0 32.2 1.0 S2 A:FES301 2.2 34.8 1.0 S1 A:FES301 2.2 27.3 1.0 SG A:CYS259 2.3 38.8 1.0 SG A:CYS244 2.3 24.9 1.0 FE1 A:FES301 2.7 22.9 1.0 HB2 A:CYS259 2.8 38.6 1.0 CB A:CYS259 3.1 32.1 1.0 H A:CYS245 3.3 28.5 1.0 HB2 A:CYS244 3.4 35.5 1.0 CB A:CYS244 3.4 29.5 1.0 HA A:CYS259 3.4 52.5 1.0 HA A:CYS244 3.5 33.5 1.0 HD2 A:TYR248 3.6 35.4 1.0 H A:GLN246 3.6 47.6 1.0 CA A:CYS259 3.8 43.6 1.0 HG3 A:GLN255 3.9 55.2 1.0 HB2 A:CYS256 3.9 36.3 1.0 HB3 A:CYS259 3.9 38.6 1.0 N A:CYS245 3.9 23.7 1.0 H A:THR260 3.9 57.1 1.0 CA A:CYS244 3.9 27.8 1.0 H A:CYS256 3.9 54.6 1.0 HB3 A:CYS244 4.2 35.5 1.0 HG2 A:GLN255 4.3 55.2 1.0 SG A:CYS245 4.3 26.3 1.0 C A:CYS244 4.3 23.6 1.0 N A:GLN246 4.4 39.6 1.0 HE21 A:GLN255 4.4 63.4 1.0 CD2 A:TYR248 4.4 29.4 1.0 N A:THR260 4.5 47.5 1.0 CG A:GLN255 4.6 45.9 1.0 HE2 A:TYR248 4.6 31.1 1.0 HD2 A:ARG241 4.6 42.7 1.0 H A:LEU261 4.6 65.3 1.0 CB A:CYS256 4.7 30.2 1.0 C A:CYS259 4.7 47.1 1.0 N A:CYS256 4.7 45.4 1.0 SG A:CYS256 4.7 38.2 1.0 HG A:LEU261 4.7 42.7 1.0 HD12 A:LEU261 4.8 57.1 1.0 HB3 A:TYR248 4.8 31.0 1.0 H A:ARG247 4.8 34.3 1.0 HA A:GLN246 4.8 27.6 1.0 HA A:GLN255 4.8 42.6 1.0 H A:TYR248 4.9 24.4 1.0 CA A:CYS245 4.9 28.0 1.0 N A:CYS259 4.9 48.6 1.0 CE2 A:TYR248 5.0 25.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of E. Coli Fhuf


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 E. Coli Fhuf within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:20.0 occ:1.00 FE1 B:FES301 0.0 20.0 1.0 S1 B:FES301 2.2 25.7 1.0 S2 B:FES301 2.2 31.8 1.0 SG B:CYS245 2.3 31.5 1.0 SG B:CYS256 2.3 38.6 1.0 FE2 B:FES301 2.7 26.1 1.0 HB2 B:CYS256 3.0 32.3 1.0 H B:CYS245 3.1 26.2 1.0 HG2 B:ARG247 3.1 37.8 1.0 H B:CYS256 3.1 52.0 1.0 CB B:CYS256 3.2 26.9 1.0 CB B:CYS245 3.6 23.8 1.0 HB3 B:CYS245 3.6 28.6 1.0 HE B:ARG247 3.6 45.0 1.0 H B:ARG247 3.8 28.4 1.0 N B:CYS245 3.8 21.8 1.0 N B:CYS256 3.9 43.2 1.0 HB3 B:CYS256 3.9 32.3 1.0 HB2 B:CYS259 4.0 38.7 1.0 H B:GLN246 4.0 42.5 1.0 CG B:ARG247 4.1 31.4 1.0 HH12 B:ARG241 4.1 38.9 1.0 CA B:CYS245 4.2 22.1 1.0 CA B:CYS256 4.2 36.4 1.0 NH1 B:ARG241 4.3 32.4 1.0 SG B:CYS244 4.3 26.4 1.0 NE B:ARG247 4.3 37.4 1.0 HH11 B:ARG241 4.3 38.9 1.0 HB2 B:CYS245 4.3 28.6 1.0 HB3 B:ARG247 4.4 31.3 1.0 N B:GLN246 4.5 35.3 1.0 HA B:CYS259 4.5 45.7 1.0 N B:ARG247 4.6 23.6 1.0 HG3 B:ARG247 4.6 37.8 1.0 C B:CYS245 4.6 25.7 1.0 HA B:CYS244 4.6 29.0 1.0 CD B:ARG247 4.6 31.2 1.0 O B:HOH435 4.7 38.0 1.0 HA B:GLN255 4.7 32.5 1.0 SG B:CYS259 4.7 44.6 1.0 CB B:CYS259 4.7 32.2 1.0 HD2 B:ARG247 4.7 37.5 1.0 HA B:CYS256 4.7 43.8 1.0 H B:TYR248 4.8 28.6 1.0 CB B:ARG247 4.8 26.0 1.0 CZ B:ARG241 4.9 51.6 1.0 C B:CYS244 4.9 25.2 1.0 HH21 B:ARG247 4.9 34.1 1.0 HD2 B:TYR248 5.0 42.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of E. Coli Fhuf


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of E. Coli Fhuf within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:26.1 occ:1.00 FE2 B:FES301 0.0 26.1 1.0 S2 B:FES301 2.2 31.8 1.0 S1 B:FES301 2.2 25.7 1.0 SG B:CYS259 2.3 44.6 1.0 SG B:CYS244 2.3 26.4 1.0 FE1 B:FES301 2.7 20.0 1.0 HB2 B:CYS259 2.9 38.7 1.0 CB B:CYS259 3.1 32.2 1.0 H B:CYS245 3.3 26.2 1.0 HB2 B:CYS244 3.4 28.8 1.0 CB B:CYS244 3.4 23.9 1.0 HA B:CYS259 3.4 45.7 1.0 HA B:CYS244 3.4 29.0 1.0 HD2 B:TYR248 3.5 42.1 1.0 H B:GLN246 3.6 42.5 1.0 N B:CYS245 3.8 21.8 1.0 CA B:CYS259 3.9 38.0 1.0 CA B:CYS244 3.9 24.1 1.0 H B:THR260 3.9 43.4 1.0 HB2 B:CYS256 3.9 32.3 1.0 HB3 B:CYS259 4.0 38.7 1.0 HG3 B:GLN255 4.0 52.3 1.0 H B:CYS256 4.0 52.0 1.0 HB3 B:CYS244 4.2 28.8 1.0 HE21 B:GLN255 4.3 52.4 1.0 C B:CYS244 4.3 25.2 1.0 SG B:CYS245 4.3 31.5 1.0 HG2 B:GLN255 4.3 52.3 1.0 N B:GLN246 4.4 35.3 1.0 CD2 B:TYR248 4.4 35.0 1.0 N B:THR260 4.5 36.0 1.0 HE2 B:TYR248 4.5 34.5 1.0 H B:LEU261 4.6 56.0 1.0 CG B:GLN255 4.6 43.5 1.0 SG B:CYS256 4.6 38.6 1.0 C B:CYS259 4.7 49.2 1.0 CB B:CYS256 4.7 26.9 1.0 HG B:LEU261 4.7 46.9 1.0 HB3 B:TYR248 4.7 32.6 1.0 H B:ARG247 4.8 28.4 1.0 HA B:GLN246 4.8 34.7 1.0 N B:CYS256 4.8 43.2 1.0 HD12 B:LEU261 4.8 59.0 1.0 HD3 B:ARG241 4.8 34.6 1.0 H B:TYR248 4.8 28.6 1.0 CA B:CYS245 4.9 22.1 1.0 CE2 B:TYR248 4.9 28.7 1.0 HG2 B:ARG247 5.0 37.8 1.0 N B:CYS259 5.0 43.8 1.0

I.B.Trindade, F.Rollo, S.Todorovic, T.Catarino, E.Moe, P.M.Matias, M.Piccioli, R.O.Louro. The Structure of A Novel Ferredoxin: Fhuf, A Ferric-Siderophore Reductase From E. Coli K-12 with A Novel 2FE-2S Cluster Coordination Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.07.04.547673