Iron in PDB 3hui: Crystal Structure of the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris

The structure of Crystal Structure of the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris, PDB code: 3hui was solved by S.G.Bell, F.Xu, Z.Rao, L.-L.Wong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.01
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.168, 32.402, 47.867, 90.00, 92.14, 90.00
R / Rfree (%)	19.2 / 23.9

The binding sites of Iron atom in the Crystal Structure of the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris (pdb code 3hui). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris, PDB code: 3hui:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris


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 the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe106 b:14.6 occ:1.00 FE1 A:FES106 0.0 14.6 1.0 S1 A:FES106 2.2 14.3 1.0 S2 A:FES106 2.2 15.3 1.0 SG A:CYS39 2.4 14.4 1.0 SG A:CYS45 2.4 14.9 1.0 FE2 A:FES106 2.7 16.6 1.0 N A:CYS45 3.6 17.9 1.0 CB A:CYS45 3.6 17.8 1.0 CB A:CYS39 3.7 13.9 1.0 N A:CYS39 3.9 13.8 1.0 CA A:CYS45 4.0 18.7 1.0 C A:CYS45 4.1 19.5 1.0 N A:ALA44 4.1 17.1 1.0 O A:CYS45 4.1 22.4 1.0 CA A:CYS39 4.2 14.9 1.0 N A:GLY41 4.2 14.0 1.0 N A:CYS43 4.4 14.3 1.0 C A:CYS39 4.5 14.7 1.0 C A:ALA44 4.5 18.8 1.0 SG A:CYS85 4.6 12.6 1.0 N A:ALA42 4.6 14.5 1.0 N A:GLY40 4.6 15.2 1.0 CA A:GLY41 4.7 12.4 1.0 CA A:CYS43 4.7 15.2 1.0 SG A:CYS48 4.7 13.7 1.0 N A:ALA46 4.7 20.4 1.0 OG1 A:THR47 4.8 15.4 1.0 N A:GLU38 4.8 15.8 1.0 C A:CYS43 4.8 16.2 1.0 CA A:ALA44 4.9 16.9 1.0 C A:ALA37 4.9 15.9 1.0 CA A:ALA37 4.9 16.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris


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 the Mutant A105R of [2FE-2S] Ferredoxin in the Class I CYP199A2 System From Rhodopseudomonas Palustris within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe106 b:16.6 occ:1.00 FE2 A:FES106 0.0 16.6 1.0 S1 A:FES106 2.2 14.3 1.0 S2 A:FES106 2.2 15.3 1.0 SG A:CYS85 2.4 12.6 1.0 SG A:CYS48 2.4 13.7 1.0 FE1 A:FES106 2.7 14.6 1.0 CB A:CYS85 3.2 13.6 1.0 CB A:CYS48 3.5 14.1 1.0 N A:CYS85 4.3 13.3 1.0 CA A:CYS85 4.4 13.3 1.0 CA A:GLY41 4.4 12.4 1.0 SG A:CYS45 4.5 14.9 1.0 SG A:CYS39 4.5 14.4 1.0 CB A:LEU83 4.5 12.2 1.0 N A:GLY41 4.6 14.0 1.0 N A:CYS48 4.6 15.7 1.0 CA A:CYS48 4.6 14.4 1.0 N A:CYS43 4.7 14.3 1.0 CA A:CYS43 4.8 15.2 1.0 O A:CYS45 4.8 22.4 1.0 CD1 A:LEU83 4.9 10.8 1.0 C A:GLY41 5.0 12.0 1.0

S.G.Bell, F.Xu, E.O.Johnson, I.M.Forward, M.Bartlam, Z.Rao, L.L.Wong. Protein Recognition in Ferredoxin-P450 Electron Transfer in the Class I CYP199A2 System From Rhodopseudomonas Palustris J.Biol.Inorg.Chem. V. 15 315 2010.
ISSN: ISSN 0949-8257
PubMed: 19904564
DOI: 10.1007/S00775-009-0604-7