Manganese 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
Iron	(Fe)	1 atom

The binding sites of Manganese 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 Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of the O-Carbamoyltransferase Tobz in Complex with Ampcpp and Carbamoyl Phosphate, PDB code: 3ves:

Manganese 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 Manganese with other atoms in the Mn 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:Mn603 b:36.1 occ:1.00 OG A:SER530 2.3 28.8 1.0 O2P A:CP601 2.4 30.2 1.0 O A:HOH702 2.4 26.3 1.0 O2G A:APC602 2.4 37.6 1.0 O A:HOH701 2.5 26.4 1.0 O2B A:APC602 2.6 65.0 1.0 O1B A:APC602 3.0 73.2 1.0 PB A:APC602 3.1 53.1 1.0 CB A:SER530 3.2 21.7 1.0 PG A:APC602 3.4 38.7 1.0 P A:CP601 3.5 30.8 1.0 O3B A:APC602 3.5 67.8 1.0 O3P A:CP601 3.8 26.5 1.0 O A:HOH756 3.9 47.1 1.0 NZ A:LYS443 4.0 30.8 1.0 NH2 A:ARG418 4.1 29.8 1.0 O3G A:APC602 4.2 37.1 1.0 O A:PRO417 4.2 24.8 1.0 N A:SER530 4.2 21.0 1.0 OD1 A:ASN532 4.3 33.2 1.0 CA A:SER530 4.3 25.4 1.0 O A:CP601 4.3 28.3 1.0 O1P A:CP601 4.5 38.1 1.0 ND2 A:ASN532 4.6 36.3 1.0 O4P A:CP601 4.7 28.5 1.0 O1G A:APC602 4.7 43.2 1.0 O2A A:APC602 4.8 48.3 1.0 C3A A:APC602 4.9 56.3 1.0 CG A:ASN532 4.9 34.3 1.0 C A:CP601 4.9 30.8 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