Iron in PDB 7d2r: Crystal Structure of Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V

The structure of Crystal Structure of Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V, PDB code: 7d2r was solved by Y.Murase, Y.Watanabe, S.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.40 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.76, 72.678, 58.986, 90, 99.68, 90
R / Rfree (%)	18.8 / 23.3

The structure of Crystal Structure of Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V (pdb code 7d2r). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V, PDB code: 7d2r:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V


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 Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:44.0 occ:1.00 FE1 A:FES601 0.0 44.0 1.0 S1 A:FES601 2.2 29.6 1.0 S2 A:FES601 2.2 22.7 1.0 OE1 A:GLU292 2.5 29.2 1.0 FE2 A:FES601 2.9 23.2 1.0 C1 A:GOL602 3.1 36.1 1.0 OE2 A:GLU292 3.1 26.7 1.0 C3 A:GOL602 3.1 45.1 1.0 CD A:GLU292 3.1 27.3 1.0 NZ A:LYS530 3.2 27.6 1.0 C2 A:GOL602 3.5 35.1 1.0 O2 A:GOL602 3.7 44.5 1.0 O3 A:GOL602 3.7 39.2 1.0 CE A:LYS530 3.9 26.3 1.0 CB A:CYS273 4.2 22.6 1.0 O1 A:GOL602 4.2 33.2 1.0 CG2 A:VAL510 4.3 28.9 1.0 ND2 A:ASN233 4.4 20.0 1.0 ND2 A:ASN294 4.4 21.1 1.0 CG A:GLU292 4.5 22.7 1.0 CB A:VAL510 4.6 36.0 1.0 CD A:LYS530 4.7 23.3 1.0 CG1 A:VAL510 4.9 40.5 1.0 SG A:CYS273 4.9 22.9 1.0 SG A:CYS508 5.0 28.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V


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 Agrobacterium Tumefaciens Aconitase X Mutant - S449C/C510V within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:23.2 occ:1.00 FE2 A:FES601 0.0 23.2 1.0 S2 A:FES601 2.2 22.7 1.0 S1 A:FES601 2.2 29.6 1.0 SG A:CYS273 2.6 22.9 1.0 SG A:CYS508 2.6 28.0 1.0 FE1 A:FES601 2.9 44.0 1.0 CB A:CYS273 3.1 22.6 1.0 CB A:CYS508 3.1 29.1 1.0 CA A:PRO450 4.2 26.8 1.0 OE1 A:GLU292 4.5 29.2 1.0 CA A:CYS273 4.6 21.8 1.0 SG A:CYS449 4.6 28.1 1.0 CB A:PRO450 4.6 23.5 1.0 CA A:CYS508 4.6 30.2 1.0 CB A:ALA234 4.6 25.1 1.0 CG2 A:VAL510 4.7 28.9 1.0 N A:HIS451 4.8 23.1 1.0 CB A:VAL510 4.9 36.0 1.0 CA A:CYS449 4.9 22.7 1.0 C A:PRO450 5.0 24.9 1.0

Y.Murase, S.Watanabe, Y.Watanabe. Crystal Structures of Aconitase X As Cis-3-Hydroxy-L-Proline Dehydratase and Mevalonate 5-Phosphate Dehydratase To Be Published.