Copper in PDB 7eus: Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001

The structure of Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001, PDB code: 7eus was solved by X.D.Hou, X.Z.Liu, Z.B.Yuan, Y.J.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.62 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.427, 147.916, 54.163, 90, 105.92, 90
R / Rfree (%)	17.7 / 22

The binding sites of Copper atom in the Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001 (pdb code 7eus). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001, PDB code: 7eus:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu401 b:30.9 occ:1.00 NE2 A:HIS294 1.9 27.6 1.0 NE2 A:HIS170 2.3 21.7 1.0 OD1 A:ASP172 2.3 24.6 1.0 O A:HOH511 2.3 18.4 1.0 O A:HOH601 2.8 29.4 1.0 CD2 A:HIS294 2.8 24.8 1.0 CE1 A:HIS294 3.0 25.5 1.0 CD2 A:HIS170 3.1 20.5 1.0 CG A:ASP172 3.2 24.4 1.0 O A:HOH605 3.4 34.6 1.0 CE1 A:HIS170 3.4 21.7 1.0 OD2 A:ASP172 3.4 31.3 1.0 O1 A:GOL402 3.9 34.6 1.0 CG A:HIS294 4.0 22.1 1.0 ND1 A:HIS294 4.1 23.6 1.0 CG A:HIS170 4.3 18.3 1.0 CE A:MSE280 4.3 33.1 1.0 ND1 A:HIS170 4.4 18.6 1.0 OE2 A:GLU311 4.5 22.5 1.0 CB A:ASP172 4.6 24.9 1.0 C1 A:GOL402 4.7 35.7 1.0 N A:ASP172 5.0 23.6 1.0 CA A:ASP172 5.0 24.2 1.0

Copper binding site 2 out of 2 in the Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structures of 2-Oxoglutarate Dependent Dioxygenase (CTB9) From Cercospora Sp. JNU001 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu401 b:29.1 occ:1.00 NE2 B:HIS170 2.1 23.6 1.0 OD1 B:ASP172 2.1 27.0 1.0 NE2 B:HIS294 2.2 20.0 1.0 O B:HOH583 2.2 24.0 1.0 O B:HOH562 2.3 28.8 1.0 CE1 B:HIS170 3.0 21.0 1.0 CG B:ASP172 3.1 24.9 1.0 CE1 B:HIS294 3.1 18.5 1.0 CD2 B:HIS170 3.1 21.7 1.0 CD2 B:HIS294 3.2 17.7 1.0 O B:HOH595 3.3 36.0 1.0 OD2 B:ASP172 3.4 28.3 1.0 ND1 B:HIS170 4.1 22.7 1.0 CG B:HIS170 4.2 21.6 1.0 ND1 B:HIS294 4.2 15.3 1.0 CG B:HIS294 4.3 17.3 1.0 OE2 B:GLU311 4.3 37.2 1.0 CB B:ASP172 4.4 22.2 1.0 CE B:MSE280 4.5 30.6 1.0 CA B:ASP172 4.8 22.0 1.0 N B:ASP172 4.9 20.5 1.0 NH1 B:ARG140 4.9 49.1 1.0

X.Z.Liu, Z.B.Yuan, H.Su, X.D.Hou, Z.W.Deng, H.B.Xu, B.D.Guo, D.Yin, X.Sheng, Y.J.Rao. Molecular Basis of the Unusual Seven-Membered Methylenedioxy Bridge Formation Catalyzed By Fe(II)/Alpha-Kg-Dependent Oxygenase CTB9 Acs Catalysis V. 12 3689 2022.
ISSN: ESSN 2155-5435
DOI: DOI.ORG/10.1021/ACSCATAL.1C04627