Iron in PDB 3ves: Crystal Structure of the O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate

The structure of Crystal Structure of the O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate, PDB code: 3ves was solved by C.Parthier, M.T.Stubbs, S.Goerlich, F.Jaenecke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.98 / 2.23
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.741, 98.741, 281.099, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 23.2

The structure of Crystal Structure of the O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate also contains other interesting chemical elements:

Potassium	(K)	1 atom
Manganese	(Mn)	1 atom

The binding sites of Iron atom in the Crystal Structure of the O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate (pdb code 3ves). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of the O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate, PDB code: 3ves:

Iron binding site 1 out of 1 in the Crystal Structure of the O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate


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 O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe605 b:21.2 occ:1.00 OD2 A:ASP338 2.2 20.5 1.0 NE2 A:HIS118 2.3 19.2 1.0 NE2 A:HIS114 2.3 24.6 1.0 OD2 A:ASP137 2.4 27.1 1.0 OD1 A:ASP137 2.4 27.6 1.0 O A:HOH815 2.4 22.6 1.0 CG A:ASP137 2.7 29.8 1.0 CD2 A:HIS118 3.1 19.1 1.0 CG A:ASP338 3.1 23.8 1.0 CD2 A:HIS114 3.1 28.0 1.0 OD1 A:ASP338 3.4 27.6 1.0 CE1 A:HIS118 3.4 17.8 1.0 CE1 A:HIS114 3.4 20.5 1.0 CB A:ASP137 4.2 32.6 1.0 CG A:HIS118 4.3 22.8 1.0 CG A:HIS114 4.4 27.8 1.0 O A:GLN139 4.4 25.6 1.0 CB A:ASP338 4.4 18.4 1.0 ND1 A:HIS118 4.4 24.6 1.0 ND1 A:HIS114 4.5 22.7 1.0 CA A:ASP338 4.7 18.0 1.0 N A:GLY310 4.8 18.5 1.0 N A:ASP338 4.8 18.1 1.0 CA A:GLY309 4.8 18.9 1.0 C A:GLN139 4.9 20.4 1.0 NE2 A:HIS115 4.9 30.8 1.0 CD2 A:HIS115 4.9 28.8 1.0 CZ2 A:TRP71 5.0 32.1 1.0

C.Parthier, S.Gorlich, F.Jaenecke, C.Breithaupt, U.Brauer, U.Fandrich, D.Clausnitzer, U.F.Wehmeier, C.Bottcher, D.Scheel, M.T.Stubbs. The O-Carbamoyltransferase Tobz Catalyzes An Ancient Enzymatic Reaction. Angew.Chem.Int.Ed.Engl. V. 51 4046 2012.
ISSN: ISSN 1433-7851
PubMed: 22383337
DOI: 10.1002/ANIE.201108896