Iron in PDB 4ov1: The Crystal Structure of A Novel Electron Transfer Ferredoxin From R. Palustris HAA2

The structure of The Crystal Structure of A Novel Electron Transfer Ferredoxin From R. Palustris HAA2, PDB code: 4ov1 was solved by W.H.Zhouw, 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)	23.11 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	23.362, 26.810, 91.192, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 24.5

The binding sites of Iron atom in the The Crystal Structure of A Novel Electron Transfer Ferredoxin From R. Palustris HAA2 (pdb code 4ov1). 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 Novel Electron Transfer Ferredoxin From R. Palustris HAA2, PDB code: 4ov1:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The Crystal Structure of A Novel Electron Transfer Ferredoxin 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 Novel Electron Transfer Ferredoxin From R. Palustris HAA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:27.8 occ:1.00 FE1 A:F3S101 0.0 27.8 1.0 S2 A:F3S101 2.2 33.0 1.0 S1 A:F3S101 2.2 23.2 1.0 S3 A:F3S101 2.2 25.2 1.0 SG A:CYS14 2.4 31.7 1.0 FE3 A:F3S101 2.7 25.3 1.0 FE4 A:F3S101 2.7 28.1 1.0 CB A:CYS14 3.6 33.9 1.0 N A:GLY16 3.6 30.8 1.0 S4 A:F3S101 3.9 25.4 1.0 CA A:CYS14 3.9 36.0 1.0 CA A:GLY16 4.0 27.9 1.0 N A:GLN15 4.1 32.8 1.0 N A:HIS17 4.1 24.8 1.0 C A:CYS14 4.3 36.6 1.0 CB A:ALA36 4.5 21.0 1.0 C A:GLY16 4.5 27.7 1.0 N A:ALA36 4.6 23.2 1.0 SG A:CYS59 4.6 31.1 1.0 C A:GLN15 4.7 31.6 1.0 SG A:CYS20 4.7 21.5 1.0 N A:ALA18 4.8 23.7 1.0 CA A:GLN15 5.0 32.9 1.0

Iron binding site 2 out of 3 in the The Crystal Structure of A Novel Electron Transfer Ferredoxin 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 Novel Electron Transfer Ferredoxin From R. Palustris HAA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:25.3 occ:1.00 FE3 A:F3S101 0.0 25.3 1.0 S4 A:F3S101 2.2 25.4 1.0 S3 A:F3S101 2.2 25.2 1.0 S1 A:F3S101 2.2 23.2 1.0 SG A:CYS20 2.3 21.5 1.0 FE4 A:F3S101 2.6 28.1 1.0 FE1 A:F3S101 2.7 27.8 1.0 CB A:CYS20 3.3 21.6 1.0 S2 A:F3S101 3.9 33.0 1.0 N A:CYS20 3.9 20.7 1.0 CB A:ALA36 4.0 21.0 1.0 N A:ALA18 4.1 23.7 1.0 CA A:CYS20 4.3 20.6 1.0 CA A:ALA18 4.3 23.2 1.0 N A:ARG19 4.4 28.6 1.0 C A:ALA18 4.6 22.9 1.0 SG A:CYS59 4.7 31.1 1.0 CD1 A:ILE64 4.8 23.6 1.0 SG A:CYS14 4.8 31.7 1.0 N A:LYS21 4.9 24.9 1.0 N A:HIS17 5.0 24.8 1.0 C A:ARG19 5.0 28.3 1.0

Iron binding site 3 out of 3 in the The Crystal Structure of A Novel Electron Transfer Ferredoxin 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 Novel Electron Transfer Ferredoxin From R. Palustris HAA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:28.1 occ:1.00 FE4 A:F3S101 0.0 28.1 1.0 S3 A:F3S101 2.2 25.2 1.0 S4 A:F3S101 2.2 25.4 1.0 S2 A:F3S101 2.2 33.0 1.0 SG A:CYS59 2.3 31.1 1.0 FE3 A:F3S101 2.6 25.3 1.0 FE1 A:F3S101 2.7 27.8 1.0 CB A:CYS59 3.3 29.7 1.0 S1 A:F3S101 3.9 23.2 1.0 CA A:CYS59 4.0 32.2 1.0 CD A:PRO60 4.3 23.3 1.0 CB A:ALA63 4.6 27.1 1.0 C A:CYS59 4.7 34.3 1.0 N A:PRO60 4.7 24.2 1.0 CB A:HIS17 4.7 24.5 1.0 SG A:CYS20 4.8 21.5 1.0 SG A:CYS14 4.8 31.7 1.0 CD1 A:ILE64 4.9 23.6 1.0 N A:HIS17 5.0 24.8 1.0

T.Zhang, A.L.Zhang, S.G.Bell, L.-L.Wong, W.H.Zhouw. 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
DOI: 10.1107/S139900471400474X