Iron in PDB 7c8o: Crystal Structure of Iscu D40A/H106A Variant

The structure of Crystal Structure of Iscu D40A/H106A Variant, PDB code: 7c8o was solved by K.Kunichika, Y.Takahashi, T.Fujishiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.26 / 1.84
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	120.678, 60.376, 64.562, 90, 95.78, 90
R / Rfree (%)	19.4 / 22.3

The binding sites of Iron atom in the Crystal Structure of Iscu D40A/H106A Variant (pdb code 7c8o). 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 Iscu D40A/H106A Variant, PDB code: 7c8o:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Iscu D40A/H106A Variant


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 Iscu D40A/H106A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:23.2 occ:1.00 FE1 A:FES201 0.0 23.2 1.0 S1 A:FES201 2.2 24.4 1.0 S2 A:FES201 2.3 23.5 1.0 SG A:CYS63 2.3 24.7 1.0 SG D:CYS38 2.3 29.9 1.0 FE2 A:FES201 2.8 22.5 1.0 CB D:CYS38 3.2 29.1 1.0 CB A:CYS63 3.3 24.5 1.0 CB D:ALA40 4.0 30.9 1.0 N D:CYS63 4.2 22.2 1.0 O A:HOH324 4.3 32.6 1.0 O A:CYS38 4.3 28.4 1.0 CA D:GLY62 4.3 23.7 1.0 ND2 D:ASN35 4.3 31.6 1.0 CB D:CYS63 4.5 22.0 1.0 SG D:CYS63 4.5 24.4 1.0 CA A:CYS63 4.5 24.6 1.0 CA D:CYS38 4.6 28.6 1.0 SG D:CYS107 4.6 24.2 1.0 C D:GLY62 4.7 23.9 1.0 O A:HOH311 4.8 35.8 1.0 CG D:ASN35 4.9 31.5 1.0 CA D:CYS63 4.9 21.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Iscu D40A/H106A Variant


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 Iscu D40A/H106A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:22.5 occ:1.00 FE2 A:FES201 0.0 22.5 1.0 S2 A:FES201 2.2 23.5 1.0 S1 A:FES201 2.2 24.4 1.0 SG D:CYS107 2.3 24.2 1.0 SG D:CYS63 2.4 24.4 1.0 FE1 A:FES201 2.8 23.2 1.0 CB D:CYS107 3.2 24.4 1.0 CB D:CYS63 3.4 22.0 1.0 N D:CYS63 4.0 22.2 1.0 ND2 D:ASN35 4.0 31.6 1.0 NZ D:LYS104 4.2 38.3 1.0 CA D:CYS63 4.3 21.8 1.0 CA D:CYS107 4.3 25.7 1.0 SG D:CYS38 4.5 29.9 1.0 CD D:LYS104 4.5 35.1 1.0 SG A:CYS63 4.6 24.7 1.0 CB D:ALA66 4.7 23.0 1.0 O A:HOH324 4.7 32.6 1.0 CB A:CYS63 4.9 24.5 1.0 N D:ALA66 5.0 22.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Iscu D40A/H106A Variant


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 Iscu D40A/H106A Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:22.2 occ:1.00 FE1 B:FES201 0.0 22.2 1.0 SG B:CYS107 2.2 26.1 1.0 S2 B:FES201 2.2 23.0 1.0 S1 B:FES201 2.3 22.4 1.0 SG B:CYS63 2.3 24.3 1.0 FE2 B:FES201 2.7 21.1 1.0 CB B:CYS107 3.2 25.1 1.0 CB B:CYS63 3.3 22.7 1.0 N B:CYS63 3.9 20.9 1.0 NZ B:LYS104 4.1 39.6 1.0 ND2 B:ASN35 4.1 26.5 1.0 CA B:CYS63 4.2 21.6 1.0 CE B:LYS104 4.2 40.0 1.0 CA B:CYS107 4.3 24.2 1.0 O B:HOH346 4.4 49.4 1.0 SG B:CYS38 4.5 23.2 1.0 SG C:CYS63 4.6 22.6 1.0 O C:HOH245 4.6 35.6 1.0 CB B:ALA66 4.7 21.6 1.0 CB C:CYS63 4.8 21.7 1.0 O B:HOH329 5.0 41.2 1.0 C B:GLY62 5.0 21.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Iscu D40A/H106A Variant


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 Iscu D40A/H106A Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:21.1 occ:1.00 FE2 B:FES201 0.0 21.1 1.0 S1 B:FES201 2.2 22.4 1.0 S2 B:FES201 2.3 23.0 1.0 SG C:CYS63 2.3 22.6 1.0 SG B:CYS38 2.3 23.2 1.0 FE1 B:FES201 2.7 22.2 1.0 CB B:CYS38 3.2 22.9 1.0 CB C:CYS63 3.3 21.7 1.0 CB B:ALA40 3.9 21.3 1.0 N B:CYS63 4.1 20.9 1.0 O C:HOH245 4.2 35.6 1.0 CA B:GLY62 4.4 21.8 1.0 ND2 B:ASN35 4.4 26.5 1.0 CB B:CYS63 4.4 22.7 1.0 SG B:CYS63 4.5 24.3 1.0 O C:CYS38 4.5 23.7 1.0 CA C:CYS63 4.5 21.3 1.0 SG B:CYS107 4.6 26.1 1.0 CA B:CYS38 4.7 22.5 1.0 C B:GLY62 4.7 21.5 1.0 N B:ALA40 4.9 21.4 1.0 CA B:CYS63 4.9 21.6 1.0 CB C:ALA65 5.0 22.4 1.0 O C:HOH228 5.0 26.9 1.0

K.Kunichika, T.Fujishiro, Y.Takahashi. [2FE-2S] Clusters-Assembled Dimeric Structures of Iscu Iron-Sulfur Scaffold To Be Published.