Iron in PDB 9gyu: Ferredoxin Cnf-Labelled Reduced State

The structure of Ferredoxin Cnf-Labelled Reduced State, PDB code: 9gyu was solved by S.B.Carr, J.Wei, K.A.Vincent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.69 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	28.916, 46.761, 63.385, 90, 90, 90
R / Rfree (%)	16.2 / 17.3

The binding sites of Iron atom in the Ferredoxin Cnf-Labelled Reduced State (pdb code 9gyu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferredoxin Cnf-Labelled Reduced State, PDB code: 9gyu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferredoxin Cnf-Labelled Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferredoxin Cnf-Labelled Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:8.9 occ:1.00 FE1 A:FES101 0.0 8.9 1.0 S2 A:FES101 2.2 8.7 1.0 S1 A:FES101 2.2 8.7 1.0 SG A:CYS44 2.3 9.3 1.0 SG A:CYS39 2.3 10.2 1.0 FE2 A:FES101 2.7 8.3 1.0 H A:CYS39 2.9 14.0 0.5 H A:CYS39 2.9 14.0 0.5 H A:CYS44 3.2 10.5 0.5 H A:CYS44 3.2 10.5 0.5 H A:ARG40 3.3 13.4 1.0 CB A:CYS44 3.4 9.2 1.0 HB3 A:CYS44 3.4 11.0 1.0 CB A:CYS39 3.5 10.4 1.0 HB3 A:CYS39 3.6 12.5 1.0 N A:CYS44 3.6 8.8 1.0 N A:CYS39 3.6 11.7 1.0 H A:SER43 3.6 11.1 0.5 H A:ALA41 3.7 11.6 1.0 H A:SER43 3.7 9.9 0.5 HG A:SER38 3.7 14.9 0.5 HB2 A:SER46 3.7 9.7 0.5 H A:SER38 3.8 12.8 0.5 CA A:CYS44 3.8 9.6 1.0 HB3 A:SER46 3.8 10.4 0.5 H A:GLY42 3.8 11.3 1.0 N A:ARG40 3.8 11.2 1.0 H A:SER38 3.8 12.7 0.5 H A:SER46 3.8 9.9 0.5 H A:SER46 3.8 9.9 0.5 HB3 A:SER38 3.9 16.4 0.5 C A:CYS44 3.9 8.5 1.0 O A:CYS44 4.0 10.2 1.0 CA A:CYS39 4.0 11.5 1.0 HB2 A:CYS44 4.2 11.0 1.0 H A:CYS47 4.3 8.3 1.0 OG A:SER38 4.3 12.4 0.5 N A:SER43 4.3 9.3 0.5 N A:SER43 4.3 8.3 0.5 HB2 A:CYS39 4.3 12.5 1.0 C A:CYS39 4.3 11.2 1.0 SG A:CYS77 4.4 8.8 1.0 N A:GLY42 4.5 9.5 1.0 HA A:ARG40 4.5 12.9 1.0 N A:ALA41 4.5 9.7 1.0 C A:SER43 4.5 9.5 0.5 N A:SER46 4.5 8.2 1.0 SG A:CYS47 4.5 8.3 1.0 C A:SER43 4.6 8.7 0.5 N A:SER38 4.6 10.7 0.5 N A:SER38 4.6 10.6 0.5 CB A:SER46 4.6 8.1 0.5 N A:SER45 4.6 9.2 1.0 C A:SER38 4.7 11.6 0.5 CB A:SER46 4.7 8.7 0.5 CA A:ARG40 4.7 10.8 1.0 C A:SER38 4.7 11.5 0.5 HA2 A:GLY42 4.7 9.4 1.0 HA A:CYS44 4.7 11.4 1.0 HB3 A:CYS47 4.8 8.7 1.0 CB A:SER38 4.8 13.6 0.5 HD13 A:LEU75 4.8 11.1 1.0 HB2 A:SER46 4.9 10.4 0.5 H A:SER45 4.9 11.0 1.0 HA A:CYS39 4.9 13.8 1.0 CA A:GLY42 4.9 7.9 1.0 C A:GLY42 4.9 8.4 1.0 OG A:SER46 4.9 8.9 0.5 CA A:SER38 5.0 11.7 0.5 HA A:4CF37 5.0 10.9 1.0 HG A:SER43 5.0 10.0 0.5

Iron binding site 2 out of 2 in the Ferredoxin Cnf-Labelled Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferredoxin Cnf-Labelled Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:8.3 occ:1.00 FE2 A:FES101 0.0 8.3 1.0 S2 A:FES101 2.2 8.7 1.0 S1 A:FES101 2.2 8.7 1.0 SG A:CYS77 2.3 8.8 1.0 SG A:CYS47 2.3 8.3 1.0 FE1 A:FES101 2.7 8.9 1.0 HB3 A:CYS77 2.9 9.4 1.0 HB3 A:CYS47 3.1 8.7 1.0 CB A:CYS77 3.2 7.8 1.0 CB A:CYS47 3.3 7.2 1.0 H A:CYS77 3.5 7.7 1.0 H A:GLY42 3.5 11.3 1.0 HB3 A:LEU75 3.6 9.7 1.0 H A:CYS47 3.6 8.3 1.0 HA A:ARG40 3.7 12.9 1.0 H A:ARG40 3.8 13.4 1.0 HB2 A:CYS77 3.8 9.4 1.0 HB2 A:CYS47 3.9 8.7 1.0 HA2 A:GLY42 4.0 9.4 1.0 H A:ALA41 4.1 11.6 1.0 N A:CYS77 4.2 6.4 1.0 N A:CYS47 4.3 6.9 1.0 CA A:CYS77 4.3 7.2 1.0 N A:GLY42 4.3 9.5 1.0 SG A:CYS39 4.3 10.2 1.0 HD22 A:LEU75 4.4 10.3 1.0 HD13 A:LEU75 4.4 11.1 1.0 N A:ARG40 4.4 11.2 1.0 CA A:CYS47 4.4 7.1 1.0 CA A:ARG40 4.5 10.8 1.0 HBA A:4CF37 4.5 12.3 1.0 HB2 A:SER46 4.5 9.7 0.5 CB A:LEU75 4.5 8.1 1.0 H A:SER38 4.6 12.8 0.5 H A:CYS44 4.6 10.5 0.5 H A:SER38 4.6 12.7 0.5 H A:CYS44 4.6 10.5 0.5 HA A:4CF37 4.6 10.9 1.0 CA A:GLY42 4.6 7.9 1.0 SG A:CYS44 4.6 9.3 1.0 HB3 A:SER46 4.6 10.4 0.5 N A:ALA41 4.7 9.7 1.0 O A:CYS44 4.7 10.2 1.0 H A:SER43 4.8 11.1 0.5 HA A:LEU75 4.9 9.0 1.0 H A:SER43 4.9 9.9 0.5 C A:ARG40 4.9 11.2 1.0 H A:CYS39 4.9 14.0 0.5 H A:CYS39 5.0 14.0 0.5 H A:SER46 5.0 9.9 0.5 H A:SER46 5.0 9.9 0.5 HD22 A:LEU25 5.0 13.4 1.0

Z.Duan, J.Wei, S.B.Carr, M.Ramirez, R.M.Evans, P.A.Ash, P.Rodriguez-Macia, A.Sachdeva, K.A.Vincent. Cyanophenylalanine As An Infrared Probe For Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes. Chembiochem 00251 2025.
ISSN: ESSN 1439-7633
PubMed: 40347495
DOI: 10.1002/CBIC.202500251