Iron in PDB 6acn: 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: 6acn 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 / 2.50
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 (%)	18.7 / 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 6acn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Activated Aconitase. Formation of the (4FE-4S) Cluster in the Crystal, PDB code: 6acn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 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:18.6 occ:1.00 FE1 A:SF4999 0.0 18.6 1.0 S4 A:SF4999 2.3 14.8 1.0 S2 A:SF4999 2.3 16.4 1.0 SG A:CYS358 2.3 17.1 1.0 S3 A:SF4999 2.3 21.0 1.0 FE3 A:SF4999 2.6 16.9 1.0 FE2 A:SF4999 2.7 15.8 1.0 FE4 A:SF4999 2.7 13.8 1.0 CB A:CYS358 3.5 18.2 1.0 CG2 A:ILE145 3.8 8.6 1.0 CD2 A:HIS147 3.8 12.9 1.0 S1 A:SF4999 3.9 16.8 1.0 N A:CYS358 4.0 20.7 1.0 O A:HOH806 4.0 29.5 1.0 CA A:CYS358 4.3 20.7 1.0 NE2 A:HIS147 4.5 11.6 1.0 SG A:CYS424 4.7 17.3 1.0 SG A:CYS421 4.8 14.5 1.0 CB A:HIS167 4.9 5.9 1.0 C A:CYS358 5.0 19.8 1.0 OG1 A:THR359 5.0 21.1 1.0

Iron binding site 2 out of 4 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:15.8 occ:1.00 FE2 A:SF4999 0.0 15.8 1.0 S4 A:SF4999 2.3 14.8 1.0 SG A:CYS424 2.3 17.3 1.0 S3 A:SF4999 2.3 21.0 1.0 S1 A:SF4999 2.3 16.8 1.0 FE4 A:SF4999 2.6 13.8 1.0 FE3 A:SF4999 2.7 16.9 1.0 FE1 A:SF4999 2.7 18.6 1.0 O A:HOH963 3.2 24.7 1.0 CB A:CYS424 3.3 20.8 1.0 S2 A:SF4999 3.9 16.4 1.0 O A:HOH806 3.9 29.5 1.0 CA A:CYS424 4.4 20.8 1.0 C A:CYS424 4.5 20.0 1.0 O A:CYS424 4.6 17.2 1.0 OD1 A:ASN446 4.6 17.6 1.0 CB A:SER357 4.7 21.8 1.0 ND2 A:ASN446 4.7 17.3 1.0 SG A:CYS421 4.7 14.5 1.0 SG A:CYS358 4.8 17.1 1.0 CB A:CYS421 4.8 13.8 1.0 N A:ILE425 5.0 18.9 1.0

Iron binding site 3 out of 4 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:16.9 occ:1.00 FE3 A:SF4999 0.0 16.9 1.0 SG A:CYS421 2.3 14.5 1.0 S4 A:SF4999 2.3 14.8 1.0 S1 A:SF4999 2.3 16.8 1.0 S2 A:SF4999 2.3 16.4 1.0 FE1 A:SF4999 2.6 18.6 1.0 FE4 A:SF4999 2.7 13.8 1.0 FE2 A:SF4999 2.7 15.8 1.0 CB A:CYS421 3.2 13.8 1.0 O A:HOH806 3.7 29.5 1.0 CA A:CYS421 3.8 13.7 1.0 CG2 A:ILE145 3.8 8.6 1.0 CE1 A:HIS101 3.9 17.0 1.0 S3 A:SF4999 3.9 21.0 1.0 NE2 A:HIS101 4.5 16.1 1.0 ND1 A:HIS101 4.5 15.8 1.0 N A:CYS421 4.6 14.8 1.0 SG A:CYS424 4.7 17.3 1.0 SG A:CYS358 4.8 17.1 1.0 CG1 A:ILE145 4.8 6.2 1.0 CB A:CYS424 4.9 20.8 1.0 CG1 A:ILE425 4.9 16.3 1.0 CD1 A:ILE145 5.0 6.9 1.0 C A:CYS421 5.0 15.5 1.0

Iron binding site 4 out of 4 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 4 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:13.8 occ:1.00 FE4 A:SF4999 0.0 13.8 1.0 O A:HOH806 1.4 29.5 1.0 S1 A:SF4999 2.3 16.8 1.0 S2 A:SF4999 2.4 16.4 1.0 S3 A:SF4999 2.4 21.0 1.0 FE2 A:SF4999 2.6 15.8 1.0 FE3 A:SF4999 2.7 16.9 1.0 FE1 A:SF4999 2.7 18.6 1.0 OD2 A:ASP165 3.8 7.3 1.0 S4 A:SF4999 3.9 14.8 1.0 O A:HOH963 3.9 24.7 1.0 ND1 A:HIS167 4.0 9.3 1.0 OD1 A:ASP165 4.2 9.6 1.0 CG A:HIS167 4.3 7.4 1.0 O A:HOH892 4.4 34.8 1.0 CB A:HIS167 4.4 5.9 1.0 CG A:ASP165 4.5 7.5 1.0 CE1 A:HIS101 4.5 17.0 1.0 NE2 A:HIS147 4.5 11.6 1.0 SG A:CYS421 4.7 14.5 1.0 CD2 A:HIS147 4.7 12.9 1.0 NE2 A:HIS101 4.7 16.1 1.0 SG A:CYS358 4.7 17.1 1.0 SG A:CYS424 4.8 17.3 1.0 CE1 A:HIS167 4.9 8.9 1.0 NH1 A:ARG452 4.9 16.7 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