Iron in PDB 3vf2: Crystal Structure of the O-Carbamoyltransferase Tobz M473I Variant in Complex with Carbamoyl Phosphate and Adp

The structure of Crystal Structure of the O-Carbamoyltransferase Tobz M473I Variant in Complex with Carbamoyl Phosphate and Adp, PDB code: 3vf2 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)	29.34 / 2.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.160, 99.160, 280.919, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 25.7

The structure of Crystal Structure of the O-Carbamoyltransferase Tobz M473I Variant in Complex with Carbamoyl Phosphate and Adp also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Iron atom in the Crystal Structure of the O-Carbamoyltransferase Tobz M473I Variant in Complex with Carbamoyl Phosphate and Adp (pdb code 3vf2). 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 M473I Variant in Complex with Carbamoyl Phosphate and Adp, PDB code: 3vf2:

Iron binding site 1 out of 1 in the Crystal Structure of the O-Carbamoyltransferase Tobz M473I Variant in Complex with Carbamoyl Phosphate and Adp


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 M473I Variant in Complex with Carbamoyl Phosphate and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:12.0 occ:1.00 OD2 A:ASP137 2.2 12.9 1.0 NE2 A:HIS118 2.3 11.7 1.0 O3B A:ADP604 2.3 17.7 1.0 NE2 A:HIS114 2.3 11.0 1.0 O1A A:ADP604 2.4 10.7 1.0 OD2 A:ASP338 2.4 16.2 1.0 CD2 A:HIS114 3.1 16.8 1.0 CE1 A:HIS118 3.2 11.1 1.0 CD2 A:HIS118 3.3 10.8 1.0 CG A:ASP137 3.3 13.3 1.0 CE1 A:HIS114 3.4 14.0 1.0 CG A:ASP338 3.5 14.2 1.0 PB A:ADP604 3.5 21.9 1.0 PA A:ADP604 3.6 24.0 1.0 CB A:ASP137 3.7 13.8 1.0 O3A A:ADP604 3.8 18.0 1.0 OD1 A:ASP338 3.8 11.3 1.0 O1B A:ADP604 3.9 12.2 1.0 CG A:HIS114 4.3 12.1 1.0 OD1 A:ASP137 4.4 16.7 1.0 ND1 A:HIS118 4.4 10.1 1.0 CG A:HIS118 4.4 10.6 1.0 ND1 A:HIS114 4.4 14.0 1.0 O5' A:ADP604 4.6 22.2 1.0 O2A A:ADP604 4.7 13.5 1.0 CB A:ASP338 4.7 14.1 1.0 O2B A:ADP604 4.8 24.7 1.0 CA A:ASP338 4.9 11.4 1.0 CA A:GLY309 4.9 9.7 1.0 CD2 A:HIS115 4.9 17.3 1.0 CZ2 A:TRP71 5.0 8.8 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