Iron in PDB 2gok: Crystal Structure of the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution

All present enzymatic activity of Crystal Structure of the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution:
3.5.2.7;

The structure of Crystal Structure of the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution, PDB code: 2gok was solved by R.Tyagi, D.Kumaran, S.Swaminathan, S.K.Burley, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.64 / 1.87
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.754, 63.630, 103.716, 90.00, 111.93, 90.00
R / Rfree (%)	20.7 / 23.1

The structure of Crystal Structure of the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Crystal Structure of the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution (pdb code 2gok). 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 the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution, PDB code: 2gok:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution


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 the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:30.4 occ:1.00 NE2 A:HIS86 2.0 20.0 1.0 O A:HOH610 2.1 29.7 1.0 NE2 A:HIS88 2.2 24.7 1.0 OD1 A:ASP331 2.4 21.7 1.0 NE2 A:HIS256 2.4 25.2 1.0 CE1 A:HIS86 3.0 20.1 1.0 CD2 A:HIS86 3.1 22.1 1.0 CD2 A:HIS256 3.1 26.4 1.0 CE1 A:HIS88 3.2 24.9 1.0 CD2 A:HIS88 3.2 24.9 1.0 CG A:ASP331 3.4 21.5 1.0 CE1 A:HIS256 3.5 26.0 1.0 OD2 A:ASP331 3.8 22.6 1.0 NE2 A:HIS279 4.0 27.5 1.0 O A:HOH702 4.1 41.6 1.0 ND1 A:HIS86 4.1 21.2 1.0 CG A:HIS86 4.2 19.0 1.0 CE A:LYS155 4.2 25.0 1.0 ND1 A:HIS88 4.3 25.7 1.0 CG A:HIS88 4.3 23.3 1.0 CG A:HIS256 4.4 26.6 1.0 ND1 A:HIS256 4.5 27.2 1.0 CD A:LYS155 4.5 23.3 1.0 CD1 A:LEU301 4.6 22.4 1.0 CB A:ASP331 4.6 19.8 1.0 O A:HOH742 4.6 45.5 1.0 CE1 A:HIS279 4.7 27.3 1.0 CD2 A:HIS279 4.9 23.4 1.0 CA A:ASP331 4.9 18.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution


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 the Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:29.6 occ:1.00 O B:HOH581 2.1 31.4 1.0 NE2 B:HIS86 2.1 24.1 1.0 NE2 B:HIS88 2.1 23.8 1.0 OD1 B:ASP331 2.3 22.6 1.0 NE2 B:HIS256 2.4 26.1 1.0 CE1 B:HIS88 3.0 25.3 1.0 CE1 B:HIS86 3.1 25.0 1.0 CD2 B:HIS86 3.1 23.4 1.0 CD2 B:HIS88 3.1 25.1 1.0 CD2 B:HIS256 3.2 27.3 1.0 CG B:ASP331 3.3 25.1 1.0 CE1 B:HIS256 3.4 26.1 1.0 OD2 B:ASP331 3.7 23.7 1.0 NE2 B:HIS279 4.0 26.1 1.0 ND1 B:HIS88 4.2 25.2 1.0 ND1 B:HIS86 4.2 24.0 1.0 CG B:HIS86 4.2 24.3 1.0 CG B:HIS88 4.3 23.5 1.0 CG B:HIS256 4.4 26.6 1.0 CE B:LYS155 4.5 27.0 1.0 ND1 B:HIS256 4.5 28.0 1.0 CD B:LYS155 4.5 28.6 1.0 CB B:ASP331 4.6 22.0 1.0 CD1 B:LEU301 4.6 23.5 1.0 CE1 B:HIS279 4.8 27.4 1.0 CD2 B:HIS279 4.9 24.5 1.0 CA B:ASP331 4.9 20.9 1.0 ND2 B:ASN333 4.9 22.7 1.0

R.Tyagi, D.Kumaran, S.K.Burley, S.Swaminathan. X-Ray Structure of Imidazolonepropionase From Agrobacterium Tumefaciens at 1.87 A Resolution. Proteins V. 69 652 2007.
ISSN: ISSN 0887-3585
PubMed: 17640072
DOI: 10.1002/PROT.21559