Iron in PDB 7cns: Crystal Structure of Thermococcus Kodakaraensis Aconitase X (Holo- Form)

The structure of Crystal Structure of Thermococcus Kodakaraensis Aconitase X (Holo- Form), PDB code: 7cns 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)	46.85 / 1.90
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.444, 102.444, 115.849, 90, 90, 90
R / Rfree (%)	16.9 / 20.1

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

Iron binding site 1 out of 3 in the Crystal Structure of Thermococcus Kodakaraensis 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 Thermococcus Kodakaraensis Aconitase X (Holo- Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:35.3 occ:1.00 FE1 A:F3S502 0.0 35.3 1.0 S1 A:F3S502 2.2 33.1 1.0 S2 A:F3S502 2.3 36.6 1.0 S3 A:F3S502 2.3 32.7 1.0 SG A:CYS342 2.4 35.3 1.0 FE4 A:F3S502 2.6 35.8 1.0 FE3 A:F3S502 2.6 31.9 1.0 CB A:CYS342 3.2 30.6 1.0 S4 A:F3S502 3.8 35.3 1.0 O3A A:PMV501 4.4 48.8 1.0 CA A:CYS342 4.5 32.6 1.0 CB A:VAL344 4.5 39.8 1.0 O A:HOH749 4.6 33.4 1.0 SG A:CYS283 4.7 34.8 1.0 CG1 A:VAL345 4.9 41.8 1.0 SG A:CYS110 4.9 32.8 1.0 CG2 A:VAL344 5.0 47.3 1.0

Iron binding site 2 out of 3 in the Crystal Structure of Thermococcus Kodakaraensis 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 Thermococcus Kodakaraensis Aconitase X (Holo- Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:31.9 occ:1.00 FE3 A:F3S502 0.0 31.9 1.0 S1 A:F3S502 2.2 33.1 1.0 S4 A:F3S502 2.3 35.3 1.0 S3 A:F3S502 2.3 32.7 1.0 SG A:CYS110 2.4 32.8 1.0 FE1 A:F3S502 2.6 35.3 1.0 FE4 A:F3S502 2.7 35.8 1.0 CB A:CYS110 3.1 29.8 1.0 S2 A:F3S502 3.9 36.6 1.0 CA A:PRO284 4.1 28.3 1.0 N A:HIS285 4.5 28.8 1.0 CD2 A:HIS285 4.5 31.5 1.0 CA A:CYS110 4.6 28.3 1.0 CG A:PRO80 4.6 32.1 1.0 CB A:PRO284 4.6 27.6 1.0 OE2 A:GLU129 4.7 35.6 1.0 C A:PRO284 4.8 30.8 1.0 NE2 A:HIS285 4.8 33.7 1.0 N A:CYS110 4.8 27.9 1.0 SG A:CYS342 4.8 35.3 1.0 CB A:CYS342 4.9 30.6 1.0 N A:PRO284 5.0 30.9 1.0 CD A:GLU129 5.0 33.6 1.0 SG A:CYS283 5.0 34.8 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Thermococcus Kodakaraensis 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 Thermococcus Kodakaraensis Aconitase X (Holo- Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:35.8 occ:1.00 FE4 A:F3S502 0.0 35.8 1.0 S2 A:F3S502 2.3 36.6 1.0 S4 A:F3S502 2.3 35.3 1.0 S3 A:F3S502 2.3 32.7 1.0 SG A:CYS283 2.4 34.8 1.0 FE1 A:F3S502 2.6 35.3 1.0 FE3 A:F3S502 2.7 31.9 1.0 CB A:CYS283 3.4 31.8 1.0 CA A:CYS283 3.7 28.4 1.0 S1 A:F3S502 3.8 33.1 1.0 CD A:LYS361 4.0 30.7 1.0 CE A:LYS361 4.0 36.2 1.0 C A:CYS283 4.1 31.4 1.0 CA A:PRO284 4.2 28.3 1.0 N A:PRO284 4.2 30.9 1.0 NZ A:LYS361 4.4 37.7 1.0 CG A:LYS361 4.5 29.9 1.0 SG A:CYS342 4.7 35.3 1.0 SG A:CYS110 4.9 32.8 1.0 O A:CYS283 4.9 30.1 1.0 O3A A:PMV501 4.9 48.8 1.0 OG A:SER362 4.9 44.7 1.0

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