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

Protein crystallography data

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

Other elements in 1x0g:

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

Sodium (Na) 2 atoms

Iron Binding Sites:

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 1x0g

Go back to Iron Binding Sites List in 1x0g
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 1x0g

Go back to Iron Binding Sites List in 1x0g
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 1x0g

Go back to Iron Binding Sites List in 1x0g
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 1x0g

Go back to Iron Binding Sites List in 1x0g
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

Reference:

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
Page generated: Sun Dec 13 14:35:30 2020

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