Iron in PDB 4eb5: A. Fulgidus Iscs-Iscu Complex Structure

All present enzymatic activity of A. Fulgidus Iscs-Iscu Complex Structure:
2.8.1.7;

The structure of A. Fulgidus Iscs-Iscu Complex Structure, PDB code: 4eb5 was solved by E.N.Marinoni, J.S.De Oliveira, Y.Nicolet, E.C.Raulfs, P.Amara, D.R.Dean, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.28 / 2.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.411, 94.897, 150.585, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 27.9

The binding sites of Iron atom in the A. Fulgidus Iscs-Iscu Complex Structure (pdb code 4eb5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the A. Fulgidus Iscs-Iscu Complex Structure, PDB code: 4eb5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the A. Fulgidus Iscs-Iscu Complex Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A. Fulgidus Iscs-Iscu Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:37.6 occ:1.00 FE1 C:FES201 0.0 37.6 1.0 S1 C:FES201 2.2 37.2 1.0 SG C:CYS102 2.2 39.0 1.0 S2 C:FES201 2.2 34.6 1.0 SG C:CYS58 2.5 39.9 1.0 FE2 C:FES201 3.1 43.8 1.0 CB C:CYS102 3.5 41.0 1.0 CB C:CYS58 3.7 34.6 1.0 NE2 C:HIS101 3.8 48.2 1.0 NZ C:LYS99 4.2 26.9 1.0 CD C:LYS99 4.2 36.4 1.0 N C:CYS58 4.3 32.9 1.0 CB C:ALA61 4.4 35.7 1.0 CE1 C:HIS101 4.4 46.6 1.0 SG A:CYS321 4.5 41.9 1.0 CA C:CYS58 4.6 34.7 1.0 N C:ALA61 4.6 36.0 1.0 CD2 C:HIS101 4.6 47.4 1.0 CA C:CYS102 4.7 41.4 1.0 CB C:ALA60 4.7 34.5 1.0 CE C:LYS99 4.8 31.0 1.0 SG C:CYS33 4.8 45.8 1.0

Iron binding site 2 out of 4 in the A. Fulgidus Iscs-Iscu Complex Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A. Fulgidus Iscs-Iscu Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:43.8 occ:1.00 FE2 C:FES201 0.0 43.8 1.0 S1 C:FES201 2.2 37.2 1.0 S2 C:FES201 2.2 34.6 1.0 SG C:CYS33 2.3 45.8 1.0 SG A:CYS321 2.4 41.9 1.0 CB C:CYS33 3.0 43.8 1.0 FE1 C:FES201 3.1 37.6 1.0 NE2 C:HIS101 3.7 48.2 1.0 CB A:CYS321 3.8 39.2 1.0 CA A:CYS321 4.3 39.1 1.0 CB C:ASP35 4.3 38.2 1.0 CA C:CYS33 4.3 44.6 1.0 CE1 C:HIS101 4.6 46.6 1.0 C C:CYS33 4.6 43.8 1.0 SG C:CYS102 4.7 39.0 1.0 CD2 C:HIS101 4.7 47.4 1.0 O C:CYS33 4.7 43.6 1.0 SG C:CYS58 4.9 39.9 1.0 N C:ASP35 4.9 40.2 1.0 N A:CYS321 4.9 38.1 1.0

Iron binding site 3 out of 4 in the A. Fulgidus Iscs-Iscu Complex Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A. Fulgidus Iscs-Iscu Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:59.9 occ:1.00 FE1 D:FES201 0.0 59.9 1.0 SG D:CYS58 2.1 53.5 1.0 S1 D:FES201 2.2 61.6 1.0 S2 D:FES201 2.2 63.9 1.0 SG D:CYS102 2.3 64.9 1.0 FE2 D:FES201 3.2 64.6 1.0 CB D:CYS58 3.4 54.8 1.0 CB D:CYS102 3.6 63.7 1.0 NE2 D:HIS101 3.8 63.1 1.0 CB D:ALA61 3.9 56.5 1.0 N D:ALA61 4.0 56.2 1.0 NZ D:LYS99 4.1 54.0 1.0 N D:CYS58 4.2 54.9 1.0 CB D:ALA60 4.3 55.8 1.0 CA D:CYS58 4.3 54.6 1.0 CD D:LYS99 4.4 56.6 1.0 CE1 D:HIS101 4.4 62.7 1.0 CA D:ALA61 4.5 56.7 1.0 CA D:CYS102 4.6 63.8 1.0 CD2 D:HIS101 4.6 63.1 1.0 O D:CYS58 4.7 54.9 1.0 C D:CYS58 4.8 54.8 1.0 CE D:LYS99 4.9 55.2 1.0 CB B:CYS321 4.9 54.6 1.0 SG B:CYS321 4.9 57.2 1.0 C D:ALA60 4.9 56.2 1.0 SG D:CYS33 5.0 81.3 1.0

Iron binding site 4 out of 4 in the A. Fulgidus Iscs-Iscu Complex Structure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of A. Fulgidus Iscs-Iscu Complex Structure within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:64.6 occ:1.00 FE2 D:FES201 0.0 64.6 1.0 S1 D:FES201 2.2 61.6 1.0 S2 D:FES201 2.2 63.9 1.0 SG D:CYS33 2.4 81.3 1.0 SG B:CYS321 2.5 57.2 1.0 FE1 D:FES201 3.2 59.9 1.0 CB B:CYS321 3.4 54.6 1.0 CB D:CYS33 3.5 83.5 1.0 NE2 D:HIS101 3.8 63.1 1.0 CA B:CYS321 4.1 54.2 1.0 CB D:ASP35 4.2 81.6 1.0 O D:CYS33 4.4 83.5 1.0 SG D:CYS58 4.4 53.5 1.0 CB D:CYS58 4.5 54.8 1.0 CE1 D:HIS101 4.6 62.7 1.0 N D:CYS58 4.7 54.9 1.0 CA D:CYS33 4.7 83.4 1.0 C D:CYS33 4.7 83.2 1.0 CD2 D:HIS101 4.8 63.1 1.0 N B:CYS321 4.9 53.4 1.0 SG D:CYS102 5.0 64.9 1.0

E.N.Marinoni, J.S.De Oliveira, Y.Nicolet, E.C.Raulfs, P.Amara, D.R.Dean, J.C.Fontecilla-Camps. (Iscs-Iscu)2 Complex Structures Provide Insights Into FE2S2 Biogenesis and Transfer. Angew.Chem.Int.Ed.Engl. V. 51 5439 2012.
ISSN: ISSN 1433-7851
PubMed: 22511353
DOI: 10.1002/ANIE.201201708