Manganese in PDB 4j0n: Crystal Structure of A Manganese Dependent Isatin Hydrolase

The structure of Crystal Structure of A Manganese Dependent Isatin Hydrolase, PDB code: 4j0n was solved by K.Bjerregaard-Andersen, T.Sommer, J.K.Jensen, B.Jochimsen, M.Etzerodt, J.P.Morth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.59 / 2.25
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	51.940, 51.940, 176.690, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 22.3

The structure of Crystal Structure of A Manganese Dependent Isatin Hydrolase also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	3 atoms

The binding sites of Manganese atom in the Crystal Structure of A Manganese Dependent Isatin Hydrolase (pdb code 4j0n). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Manganese Dependent Isatin Hydrolase, PDB code: 4j0n:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Manganese Dependent Isatin Hydrolase


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 A Manganese Dependent Isatin Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:22.3 occ:1.00 ND1 A:HIS73 2.1 22.9 1.0 O A:HOH520 2.1 36.9 1.0 NE2 A:HIS77 2.2 20.4 1.0 OD1 A:ASP79 2.2 25.5 1.0 CD2 A:HIS77 3.0 20.4 1.0 O A:HOH473 3.0 32.5 1.0 CE1 A:HIS73 3.0 21.9 1.0 CG A:HIS73 3.2 21.6 1.0 CG A:ASP79 3.2 21.3 1.0 CE1 A:HIS77 3.3 19.9 1.0 OD2 A:ASP79 3.5 24.6 1.0 CB A:HIS73 3.6 21.7 1.0 NE2 A:HIS83 4.1 22.9 1.0 NE2 A:HIS73 4.2 19.8 1.0 CG A:HIS77 4.2 23.2 1.0 CD2 A:HIS73 4.3 19.3 1.0 ND1 A:HIS77 4.3 20.0 1.0 CD2 A:HIS83 4.4 23.1 1.0 CA A:HIS73 4.5 20.8 1.0 CB A:ASP79 4.6 23.1 1.0 NE2 A:HIS212 4.7 27.8 1.0 CE1 A:HIS83 4.8 23.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Manganese Dependent Isatin Hydrolase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Manganese Dependent Isatin Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:24.4 occ:1.00 O B:HOH508 2.1 30.8 1.0 OD1 B:ASP79 2.2 24.8 1.0 ND1 B:HIS73 2.3 22.1 1.0 NE2 B:HIS77 2.4 21.4 1.0 O B:HOH507 2.5 26.8 1.0 O B:HOH529 2.9 31.5 1.0 CG B:ASP79 3.2 22.9 1.0 CD2 B:HIS77 3.2 19.4 1.0 CE1 B:HIS73 3.2 21.8 1.0 CG B:HIS73 3.3 20.4 1.0 OD2 B:ASP79 3.4 28.3 1.0 CE1 B:HIS77 3.5 23.1 1.0 CB B:HIS73 3.7 19.9 1.0 NE2 B:HIS83 4.0 21.1 1.0 NE2 B:HIS73 4.4 24.9 1.0 CD2 B:HIS83 4.4 21.5 1.0 CG B:HIS77 4.4 22.4 1.0 CD2 B:HIS73 4.4 22.7 1.0 ND1 B:HIS77 4.6 20.0 1.0 CB B:ASP79 4.6 23.1 1.0 CA B:HIS73 4.6 20.2 1.0 NE2 B:HIS212 4.6 27.5 1.0 CE1 B:HIS83 4.7 24.7 1.0

K.Bjerregaard-Andersen, T.Sommer, J.K.Jensen, B.Jochimsen, M.Etzerodt, J.P.Morth. A Proton Wire and Water Channel Revealed in the Crystal Structure of Isatin Hydrolase. J.Biol.Chem. V. 289 21351 2014.
ISSN: ISSN 0021-9258
PubMed: 24917679
DOI: 10.1074/JBC.M114.568824