Iron in PDB 4id8: The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2

The structure of The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2, PDB code: 4id8 was solved by W.H.Zhou, T.Zhang, A.L.Zhang, S.G.Bell, L.-L.Wong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.55 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	23.354, 26.699, 91.094, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 27.5

The binding sites of Iron atom in the The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2 (pdb code 4id8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2, PDB code: 4id8:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2


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 A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:23.4 occ:1.00 FE1 A:F3S101 0.0 23.4 1.0 S3 A:F3S101 2.2 24.7 1.0 S1 A:F3S101 2.2 22.7 1.0 S2 A:F3S101 2.2 29.5 1.0 SG A:CYS14 2.3 24.6 1.0 FE3 A:F3S101 2.6 21.9 1.0 FE4 A:F3S101 2.6 25.6 1.0 CB A:CYS14 3.5 23.4 1.0 S4 A:F3S101 3.7 26.7 1.0 CA A:CYS14 3.8 24.5 1.0 N A:GLY16 3.8 20.1 1.0 CA A:GLY16 4.1 20.3 1.0 N A:GLN15 4.1 23.8 1.0 N A:HIS17 4.3 21.0 1.0 C A:CYS14 4.3 23.7 1.0 CB A:ALA36 4.3 20.1 1.0 SG A:CYS59 4.5 23.9 1.0 SG A:CYS20 4.6 20.2 1.0 N A:ALA36 4.6 20.0 1.0 C A:GLY16 4.7 20.5 1.0 C A:GLN15 4.8 20.9 1.0 N A:ALA18 4.8 21.3 1.0 CG1 A:VAL9 4.8 16.8 1.0 CB A:ALA63 4.9 27.8 1.0

Iron binding site 2 out of 3 in the The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2


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 A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:21.9 occ:1.00 FE3 A:F3S101 0.0 21.9 1.0 S3 A:F3S101 2.1 24.7 1.0 S1 A:F3S101 2.2 22.7 1.0 S4 A:F3S101 2.2 26.7 1.0 SG A:CYS20 2.3 20.2 1.0 FE4 A:F3S101 2.6 25.6 1.0 FE1 A:F3S101 2.6 23.4 1.0 CB A:CYS20 3.3 22.6 1.0 S2 A:F3S101 3.8 29.5 1.0 CB A:ALA36 3.9 20.1 1.0 N A:CYS20 4.0 22.9 1.0 N A:ALA18 4.2 21.3 1.0 CA A:CYS20 4.3 22.9 1.0 CA A:ALA18 4.4 22.1 1.0 N A:ARG19 4.4 22.2 1.0 SG A:CYS14 4.6 24.6 1.0 SG A:CYS59 4.6 23.9 1.0 C A:ALA18 4.7 22.2 1.0 CD1 A:ILE64 4.7 21.1 1.0

Iron binding site 3 out of 3 in the The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of A [3FE-4S] Ferredoxin Associated with CYP194A4 From R. Palustris HAA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:25.6 occ:1.00 FE4 A:F3S101 0.0 25.6 1.0 S3 A:F3S101 2.2 24.7 1.0 SG A:CYS59 2.2 23.9 1.0 S4 A:F3S101 2.2 26.7 1.0 S2 A:F3S101 2.3 29.5 1.0 FE3 A:F3S101 2.6 21.9 1.0 FE1 A:F3S101 2.6 23.4 1.0 CB A:CYS59 3.3 27.0 1.0 S1 A:F3S101 3.8 22.7 1.0 CA A:CYS59 4.0 27.9 1.0 CB A:ALA63 4.4 27.8 1.0 CD A:PRO60 4.4 28.4 1.0 SG A:CYS20 4.7 20.2 1.0 SG A:CYS14 4.7 24.6 1.0 CD1 A:ILE64 4.7 21.1 1.0 C A:CYS59 4.8 28.6 1.0 CB A:HIS17 4.8 21.0 1.0 N A:PRO60 4.9 29.4 1.0 ND1 A:HIS17 4.9 24.1 1.0

T.Zhang, A.Zhang, S.G.Bell, L.L.Wong, W.Zhou. The Structure of A Novel Electron-Transfer Ferredoxin From Rhodopseudomonas Palustris HAA2 Which Contains A Histidine Residue in Its Iron-Sulfur Cluster-Binding Motif. Acta Crystallogr.,Sect.D V. 70 1453 2014.
ISSN: ISSN 0907-4449
PubMed: 24816113
DOI: 10.1107/S139900471400474X