Iron in PDB 1x0g: Crystal Structure of Isca with the [2FE-2S] Cluster

The structure of Crystal Structure of Isca with the [2FE-2S] Cluster, PDB code: 1x0g was solved by K.Morimoto, E.Yamashita, Y.Kondou, S.J.Lee, T.Tsukihara, M.Nakai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.472, 102.788, 137.032, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.1

The structure of Crystal Structure of Isca with the [2FE-2S] Cluster also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Isca with the [2FE-2S] Cluster (pdb code 1x0g). 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 Isca with the [2FE-2S] Cluster, PDB code: 1x0g:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Isca with the [2FE-2S] Cluster


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 Isca with the [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:51.6 occ:1.00 FE1 A:FES500 0.0 51.6 1.0 S2 A:FES500 2.1 49.2 1.0 S1 A:FES500 2.2 46.7 1.0 SG D:CYS103 2.2 59.8 1.0 SG A:CYS37 2.4 63.1 1.0 FE2 A:FES500 2.7 50.4 1.0 CB A:CYS37 3.2 60.4 1.0 CB D:CYS103 3.5 57.5 1.0 CA D:CYS103 3.7 58.6 1.0 N D:GLY104 4.1 59.8 1.0 SG A:CYS101 4.3 60.8 1.0 CB A:CYS101 4.4 64.4 1.0 C D:CYS103 4.4 59.5 1.0 O D:HOH115 4.5 60.6 1.0 SG A:CYS103 4.6 63.3 1.0 CA A:CYS37 4.6 61.1 1.0 CG D:MET105 4.6 62.7 1.0 N D:MET105 4.9 57.5 1.0 N A:CYS37 5.0 61.7 1.0 N D:CYS103 5.0 60.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Isca with the [2FE-2S] Cluster


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 Isca with the [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:50.4 occ:1.00 FE2 A:FES500 0.0 50.4 1.0 S2 A:FES500 2.1 49.2 1.0 S1 A:FES500 2.1 46.7 1.0 SG A:CYS101 2.2 60.8 1.0 SG A:CYS103 2.2 63.3 1.0 FE1 A:FES500 2.7 51.6 1.0 CB A:CYS101 3.3 64.4 1.0 CB A:CYS103 3.3 64.5 1.0 N A:CYS103 3.6 66.3 1.0 CA A:CYS103 3.9 65.3 1.0 N A:MET105 4.2 69.8 1.0 N A:GLY104 4.3 67.0 1.0 N A:ALA106 4.3 67.2 1.0 CB A:CYS37 4.4 60.4 1.0 CE D:MET105 4.4 75.2 1.0 C A:CYS103 4.4 66.3 1.0 CB A:ALA106 4.5 66.7 1.0 CA A:CYS101 4.5 63.7 1.0 SG A:CYS37 4.6 63.1 1.0 SG D:CYS103 4.6 59.8 1.0 C A:CYS101 4.6 64.4 1.0 N A:GLY102 4.7 63.9 1.0 CB A:MET105 4.7 70.2 1.0 CE A:MET105 4.7 79.5 1.0 CG D:MET105 4.7 62.7 1.0 C A:GLY102 4.8 64.8 1.0 CA A:MET105 4.8 69.9 1.0 C A:MET105 4.9 68.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Isca with the [2FE-2S] Cluster


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 Isca with the [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1500 b:67.9 occ:1.00 FE1 C:FES1500 0.0 67.9 1.0 S1 C:FES1500 2.1 65.5 1.0 S2 C:FES1500 2.2 62.8 1.0 SG C:CYS103 2.3 78.6 1.0 SG C:CYS101 2.4 63.8 1.0 FE2 C:FES1500 2.8 70.1 1.0 CB C:CYS103 3.2 75.9 1.0 CB C:CYS101 3.2 68.4 1.0 N C:CYS103 3.3 76.7 1.0 CA C:CYS103 3.7 76.5 1.0 N C:GLY104 3.9 77.5 1.0 C C:CYS103 4.0 76.6 1.0 N C:MET105 4.1 74.4 1.0 CB C:CYS37 4.3 63.5 1.0 N B:GLY104 4.4 71.3 1.0 SG B:CYS103 4.4 66.5 1.0 CB C:ALA106 4.4 69.2 1.0 C C:CYS101 4.4 69.4 1.0 N C:ALA106 4.4 69.7 1.0 SG C:CYS37 4.4 69.0 1.0 N C:GLY102 4.5 72.1 1.0 CA C:CYS101 4.5 67.9 1.0 C C:GLY102 4.5 76.4 1.0 CB C:MET105 4.6 75.8 1.0 CA C:MET105 4.8 73.4 1.0 O C:CYS103 4.8 76.2 1.0 O C:CYS101 4.9 67.6 1.0 CA C:GLY102 4.9 74.1 1.0 CG B:MET105 4.9 77.6 1.0 C C:GLY104 4.9 76.0 1.0 CA B:GLY104 4.9 73.4 1.0 CA C:GLY104 5.0 76.5 1.0 N B:MET105 5.0 76.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Isca with the [2FE-2S] Cluster


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 Isca with the [2FE-2S] Cluster within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1500 b:70.1 occ:1.00 FE2 C:FES1500 0.0 70.1 1.0 SG B:CYS103 2.0 66.5 1.0 S2 C:FES1500 2.1 62.8 1.0 S1 C:FES1500 2.1 65.5 1.0 SG C:CYS37 2.2 69.0 1.0 FE1 C:FES1500 2.8 67.9 1.0 CB B:CYS103 3.1 70.1 1.0 CB C:CYS37 3.2 63.5 1.0 CA B:CYS103 3.3 69.8 1.0 N B:GLY104 3.5 71.3 1.0 C B:CYS103 3.9 70.9 1.0 CG B:MET105 4.3 77.6 1.0 SG C:CYS103 4.5 78.6 1.0 N B:MET105 4.5 76.9 1.0 CB C:CYS101 4.5 68.4 1.0 CA C:CYS37 4.5 63.5 1.0 SG C:CYS101 4.6 63.8 1.0 N B:CYS103 4.6 68.5 1.0 CA B:GLY104 4.7 73.4 1.0 N C:CYS37 4.9 63.5 1.0 CB B:MET105 4.9 77.4 1.0

K.Morimoto, E.Yamashita, Y.Kondou, S.J.Lee, F.Arisaka, T.Tsukihara, M.Nakai. The Asymmetric Isca Homodimer with An Exposed [2FE-2S] Cluster Suggests the Structural Basis of the Fe-S Cluster Biosynthetic Scaffold. J.Mol.Biol. V. 360 117 2006.
ISSN: ISSN 0022-2836
PubMed: 16730357
DOI: 10.1016/J.JMB.2006.04.067