Iron in PDB 5acn: Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal

All present enzymatic activity of Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal:
4.2.1.3;

The structure of Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal, PDB code: 5acn was solved by A.H.Robbins, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	173.600, 72.000, 72.700, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / n/a

The binding sites of Iron atom in the Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal (pdb code 5acn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal, PDB code: 5acn:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe999 b:17.3 occ:1.00 FE1 A:F3S999 0.0 17.3 1.0 S1 A:F3S999 2.3 21.1 1.0 SG A:CYS358 2.3 15.9 1.0 S3 A:F3S999 2.3 19.1 1.0 S2 A:F3S999 2.4 23.9 1.0 FE3 A:F3S999 2.6 18.8 1.0 FE4 A:F3S999 2.7 18.7 1.0 CB A:CYS358 3.6 20.9 1.0 CG2 A:ILE145 3.8 10.7 1.0 S4 A:F3S999 4.0 22.3 1.0 O A:HOH806 4.0 25.1 1.0 CD2 A:HIS147 4.0 11.6 1.0 N A:CYS358 4.2 20.9 1.0 CA A:CYS358 4.5 22.8 1.0 SG A:CYS424 4.6 24.6 1.0 NE2 A:HIS147 4.6 11.9 1.0 SG A:CYS421 4.7 20.8 1.0 OG A:SER357 4.9 22.9 1.0 CB A:HIS167 4.9 8.2 1.0 CB A:SER357 4.9 22.3 1.0 O A:HOH963 4.9 31.5 1.0 ND2 A:ASN446 4.9 17.8 1.0 CD1 A:ILE145 5.0 10.4 1.0 N A:THR359 5.0 19.1 1.0

Iron binding site 2 out of 3 in the Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe999 b:18.8 occ:1.00 FE3 A:F3S999 0.0 18.8 1.0 S3 A:F3S999 2.3 19.1 1.0 SG A:CYS421 2.3 20.8 1.0 S4 A:F3S999 2.3 22.3 1.0 S1 A:F3S999 2.3 21.1 1.0 FE4 A:F3S999 2.5 18.7 1.0 FE1 A:F3S999 2.6 17.3 1.0 CB A:CYS421 3.3 15.5 1.0 S2 A:F3S999 3.8 23.9 1.0 CG2 A:ILE145 3.9 10.7 1.0 CA A:CYS421 3.9 16.6 1.0 CE1 A:HIS101 4.0 11.9 1.0 O A:HOH806 4.0 25.1 1.0 NE2 A:HIS101 4.4 12.7 1.0 SG A:CYS424 4.6 24.6 1.0 N A:CYS421 4.7 15.7 1.0 SG A:CYS358 4.7 15.9 1.0 ND1 A:HIS101 4.8 12.9 1.0 CB A:CYS424 4.8 20.8 1.0 CG1 A:ILE145 4.8 11.5 1.0 CD1 A:ILE145 4.8 10.4 1.0 CG1 A:ILE425 4.9 20.8 1.0 CB A:ILE145 5.0 13.0 1.0

Iron binding site 3 out of 3 in the Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe999 b:18.7 occ:1.00 FE4 A:F3S999 0.0 18.7 1.0 SG A:CYS424 2.3 24.6 1.0 S3 A:F3S999 2.3 19.1 1.0 S4 A:F3S999 2.3 22.3 1.0 S2 A:F3S999 2.4 23.9 1.0 FE3 A:F3S999 2.5 18.8 1.0 FE1 A:F3S999 2.7 17.3 1.0 O A:HOH963 3.0 31.5 1.0 CB A:CYS424 3.2 20.8 1.0 S1 A:F3S999 3.9 21.1 1.0 O A:HOH806 4.1 25.1 1.0 CA A:CYS424 4.3 22.9 1.0 C A:CYS424 4.4 22.8 1.0 SG A:CYS421 4.5 20.8 1.0 CB A:SER357 4.6 22.3 1.0 O A:CYS424 4.6 22.5 1.0 CB A:CYS421 4.7 15.5 1.0 OD1 A:ASN446 4.7 18.3 1.0 SG A:CYS358 4.7 15.9 1.0 OG A:SER357 4.7 22.9 1.0 ND2 A:ASN446 4.8 17.8 1.0 NH1 A:ARG452 4.9 20.4 1.0 N A:ILE425 4.9 22.7 1.0 CA A:CYS421 5.0 16.6 1.0

A.H.Robbins, C.D.Stout. Structure of Activated Aconitase: Formation of the [4FE-4S] Cluster in the Crystal. Proc.Natl.Acad.Sci.Usa V. 86 3639 1989.
ISSN: ISSN 0027-8424
PubMed: 2726740
DOI: 10.1073/PNAS.86.10.3639