Iron in PDB 7cnq: Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)

The structure of Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form), PDB code: 7cnq 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)	48.98 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.25, 73.446, 175.184, 90, 94.13, 90
R / Rfree (%)	20.9 / 25.3

The binding sites of Iron atom in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form) (pdb code 7cnq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form), PDB code: 7cnq:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


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 (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:28.9 occ:1.00 FE1 A:FES601 0.0 28.9 1.0 S1 A:FES601 2.2 26.1 1.0 S2 A:FES601 2.2 25.6 1.0 O2 A:G8X602 2.4 23.6 1.0 SG A:CYS510 2.6 25.0 1.0 FE2 A:FES601 2.9 23.3 1.0 CG A:G8X602 3.2 23.4 1.0 CB A:G8X602 3.2 23.9 1.0 NZ A:LYS530 3.3 25.2 1.0 CB A:CYS510 3.4 23.8 1.0 OE2 A:GLU292 3.8 23.8 1.0 CE A:LYS530 3.8 19.1 1.0 CD A:G8X602 4.2 20.7 1.0 OE1 A:GLU292 4.3 19.0 1.0 CD A:GLU292 4.4 16.9 1.0 CD A:LYS530 4.4 22.5 1.0 CA A:G8X602 4.5 21.9 1.0 SG A:CYS508 4.5 29.9 1.0 O1 A:G8X602 4.6 21.9 1.0 N A:G8X602 4.7 21.1 1.0 CA A:CYS510 4.7 21.0 1.0 O A:HOH899 4.8 27.4 1.0 CB A:CYS273 4.9 18.2 1.0 C A:G8X602 4.9 19.6 1.0 N A:CYS510 5.0 22.2 1.0

Iron binding site 2 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


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 (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:23.3 occ:1.00 FE2 A:FES601 0.0 23.3 1.0 S2 A:FES601 2.2 25.6 1.0 S1 A:FES601 2.2 26.1 1.0 SG A:CYS273 2.5 19.9 1.0 SG A:CYS508 2.6 29.9 1.0 FE1 A:FES601 2.9 28.9 1.0 CB A:CYS273 3.1 18.2 1.0 CB A:CYS508 3.2 21.8 1.0 CA A:PRO450 4.2 22.9 1.0 SG A:CYS510 4.4 25.0 1.0 CB A:ALA234 4.5 19.5 1.0 N A:HIS451 4.6 20.6 1.0 CA A:CYS273 4.6 19.4 1.0 CA A:CYS508 4.7 22.0 1.0 CA A:SER449 4.8 24.3 1.0 CB A:CYS510 4.8 23.8 1.0 C A:PRO450 4.8 24.1 1.0 OG A:SER449 4.9 28.1 1.0 CD2 A:HIS451 4.9 16.5 1.0 CB A:PRO450 4.9 22.3 1.0 CB A:SER449 5.0 25.5 1.0

Iron binding site 3 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


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 Agrobacterium Tumefaciens Aconitase X (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:25.3 occ:1.00 FE1 B:FES601 0.0 25.3 1.0 S1 B:FES601 2.2 19.8 1.0 S2 B:FES601 2.2 24.2 1.0 O2 B:G8X602 2.3 19.9 1.0 SG B:CYS510 2.6 23.3 1.0 FE2 B:FES601 2.8 19.9 1.0 CB B:G8X602 3.1 19.3 1.0 CG B:G8X602 3.2 20.1 1.0 CB B:CYS510 3.3 22.1 1.0 NZ B:LYS530 3.4 19.2 1.0 CE B:LYS530 3.7 20.9 1.0 OE1 B:GLU292 3.9 22.0 1.0 OE2 B:GLU292 4.2 19.5 1.0 CD B:G8X602 4.2 16.9 1.0 SG B:CYS508 4.3 21.9 1.0 CD B:GLU292 4.4 21.0 1.0 CA B:G8X602 4.4 15.4 1.0 CD B:LYS530 4.6 20.0 1.0 OG B:SER449 4.7 19.4 1.0 N B:G8X602 4.7 17.0 1.0 CA B:CYS510 4.7 17.8 1.0 O B:HOH847 4.7 23.6 1.0 O B:G8X602 4.7 17.8 1.0 C B:G8X602 4.9 19.7 1.0 CB B:CYS273 4.9 18.8 1.0 N B:CYS510 4.9 17.0 1.0 CB B:CYS508 5.0 19.9 1.0

Iron binding site 4 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


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 Agrobacterium Tumefaciens Aconitase X (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:19.9 occ:1.00 FE2 B:FES601 0.0 19.9 1.0 S2 B:FES601 2.2 24.2 1.0 S1 B:FES601 2.2 19.8 1.0 SG B:CYS273 2.5 20.6 1.0 SG B:CYS508 2.6 21.9 1.0 FE1 B:FES601 2.8 25.3 1.0 CB B:CYS273 3.1 18.8 1.0 CB B:CYS508 3.2 19.9 1.0 CA B:PRO450 4.2 20.7 1.0 SG B:CYS510 4.5 23.3 1.0 OG B:SER449 4.5 19.4 1.0 CB B:ALA234 4.5 17.2 1.0 N B:HIS451 4.6 22.1 1.0 CA B:CYS273 4.6 21.2 1.0 CA B:CYS508 4.7 17.4 1.0 CA B:SER449 4.7 17.6 1.0 O2 B:G8X602 4.8 19.9 1.0 CB B:CYS510 4.8 22.1 1.0 CB B:PRO450 4.9 22.3 1.0 CB B:SER449 4.9 18.9 1.0 C B:PRO450 4.9 20.8 1.0 CD2 B:HIS451 5.0 17.3 1.0

Iron binding site 5 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:26.2 occ:1.00 FE1 C:FES601 0.0 26.2 1.0 S1 C:FES601 2.2 20.9 1.0 S2 C:FES601 2.2 21.8 1.0 O2 C:G8X602 2.4 18.9 1.0 SG C:CYS510 2.7 23.1 1.0 FE2 C:FES601 2.8 19.7 1.0 CG C:G8X602 3.1 18.7 1.0 CB C:CYS510 3.2 15.2 1.0 CB C:G8X602 3.2 18.1 1.0 NZ C:LYS530 3.4 21.3 1.0 OE1 C:GLU292 3.8 18.6 1.0 CE C:LYS530 3.9 19.5 1.0 CD C:G8X602 4.2 19.5 1.0 OE2 C:GLU292 4.3 17.2 1.0 SG C:CYS508 4.3 21.7 1.0 CD C:GLU292 4.4 19.4 1.0 CA C:G8X602 4.5 17.7 1.0 CA C:CYS510 4.6 17.5 1.0 CD C:LYS530 4.6 16.3 1.0 N C:G8X602 4.7 16.8 1.0 OG C:SER449 4.7 22.0 1.0 N C:CYS510 4.8 17.2 1.0 CB C:CYS508 4.8 17.5 1.0 CB C:CYS273 4.8 15.9 1.0 O C:HOH845 4.9 20.2 1.0 O1 C:G8X602 4.9 18.2 1.0 C C:G8X602 5.0 19.1 1.0

Iron binding site 6 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:19.7 occ:1.00 FE2 C:FES601 0.0 19.7 1.0 S2 C:FES601 2.2 21.8 1.0 S1 C:FES601 2.2 20.9 1.0 SG C:CYS273 2.5 18.2 1.0 SG C:CYS508 2.6 21.7 1.0 FE1 C:FES601 2.8 26.2 1.0 CB C:CYS273 3.1 15.9 1.0 CB C:CYS508 3.2 17.5 1.0 CA C:PRO450 4.2 19.1 1.0 OG C:SER449 4.5 22.0 1.0 N C:HIS451 4.5 17.6 1.0 SG C:CYS510 4.5 23.1 1.0 CA C:CYS273 4.6 16.2 1.0 CA C:CYS508 4.7 17.6 1.0 CB C:PRO450 4.7 20.7 1.0 CB C:ALA234 4.7 13.0 1.0 CA C:SER449 4.7 16.0 1.0 CB C:CYS510 4.7 15.2 1.0 C C:PRO450 4.8 19.6 1.0 O2 C:G8X602 4.9 18.9 1.0 CB C:SER449 4.9 19.1 1.0 OE1 C:GLU292 5.0 18.6 1.0

Iron binding site 7 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:26.3 occ:1.00 FE1 D:FES601 0.0 26.3 1.0 S1 D:FES601 2.2 23.5 1.0 S2 D:FES601 2.2 23.9 1.0 O2 D:G8X602 2.3 21.7 1.0 SG D:CYS510 2.6 23.5 1.0 FE2 D:FES601 2.8 20.1 1.0 CB D:G8X602 3.1 21.1 1.0 CG D:G8X602 3.1 20.1 1.0 CB D:CYS510 3.3 22.1 1.0 NZ D:LYS530 3.4 21.2 1.0 CE D:LYS530 3.8 18.6 1.0 OE1 D:GLU292 3.8 24.1 1.0 CD D:G8X602 4.2 17.0 1.0 OE2 D:GLU292 4.2 16.4 1.0 CD D:GLU292 4.4 20.1 1.0 SG D:CYS508 4.4 24.0 1.0 CA D:G8X602 4.4 19.3 1.0 CD D:LYS530 4.5 20.8 1.0 N D:G8X602 4.7 19.6 1.0 CA D:CYS510 4.7 19.9 1.0 O D:G8X602 4.7 19.0 1.0 CB D:CYS273 4.8 18.4 1.0 C D:G8X602 4.8 19.6 1.0 N D:CYS510 4.9 16.7 1.0 OG D:SER449 5.0 21.1 1.0

Iron binding site 8 out of 8 in the Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Agrobacterium Tumefaciens Aconitase X (Holo-Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:20.1 occ:1.00 FE2 D:FES601 0.0 20.1 1.0 S2 D:FES601 2.2 23.9 1.0 S1 D:FES601 2.2 23.5 1.0 SG D:CYS273 2.5 20.5 1.0 SG D:CYS508 2.6 24.0 1.0 FE1 D:FES601 2.8 26.3 1.0 CB D:CYS273 3.1 18.4 1.0 CB D:CYS508 3.2 20.6 1.0 CA D:PRO450 4.2 20.9 1.0 SG D:CYS510 4.4 23.5 1.0 CA D:CYS273 4.6 20.7 1.0 CB D:ALA234 4.6 19.4 1.0 N D:HIS451 4.6 19.8 1.0 CA D:CYS508 4.7 18.9 1.0 CA D:SER449 4.7 20.9 1.0 OG D:SER449 4.8 21.1 1.0 CB D:CYS510 4.8 22.1 1.0 CB D:PRO450 4.8 22.9 1.0 O2 D:G8X602 4.9 21.7 1.0 CB D:SER449 4.9 22.4 1.0 C D:PRO450 4.9 20.7 1.0 ND2 D:ASN294 4.9 22.9 1.0 CD2 D:HIS451 5.0 18.5 1.0

Y.Murase, S.Watanabe, Y.Watanabe. Crystal Structure of Aconitase X To Be Published.