Manganese in PDB 1tbh: H141D Mutant of Rat Liver Arginase I

All present enzymatic activity of H141D Mutant of Rat Liver Arginase I:
3.5.3.1;

The structure of H141D Mutant of Rat Liver Arginase I, PDB code: 1tbh was solved by E.Cama, J.D.Cox, D.E.Ash, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.86 / 2.70
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	88.180, 88.180, 103.420, 90.00, 90.00, 120.00
R / Rfree (%)	26.6 / 29.6

The binding sites of Manganese atom in the H141D Mutant of Rat Liver Arginase I (pdb code 1tbh). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the H141D Mutant of Rat Liver Arginase I, PDB code: 1tbh:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in the H141D Mutant of Rat Liver Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of H141D Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:16.6 occ:1.00 OD2 A:ASP128 2.2 26.1 1.0 OD2 A:ASP124 2.3 19.4 1.0 ND1 A:HIS101 2.5 19.4 1.0 OD2 A:ASP232 2.5 22.4 1.0 CG A:ASP128 3.0 25.4 1.0 OD1 A:ASP128 3.1 27.4 1.0 CG A:HIS101 3.2 18.3 1.0 MN A:MN2 3.3 24.1 1.0 CB A:HIS101 3.3 17.7 1.0 CG A:ASP124 3.4 18.1 1.0 CG A:ASP232 3.5 21.5 1.0 CE1 A:HIS101 3.6 18.2 1.0 OD1 A:ASP124 3.8 20.6 1.0 CB A:ASP232 3.9 20.7 1.0 O A:ASP141 4.0 33.8 1.0 CB A:ASP128 4.3 23.2 1.0 CD2 A:HIS101 4.5 18.1 1.0 NE1 A:TRP122 4.5 16.9 1.0 NE2 A:HIS101 4.6 18.3 1.0 OD1 A:ASP232 4.6 20.6 1.0 CB A:ASP124 4.6 18.5 1.0 CA A:HIS101 4.8 18.0 1.0 CZ2 A:TRP122 4.9 16.8 1.0 CG A:GLU277 4.9 19.3 1.0 OE2 A:GLU277 4.9 17.2 1.0 O A:HOH812 4.9 19.3 1.0 ND1 A:HIS126 5.0 17.6 1.0

Manganese binding site 2 out of 6 in the H141D Mutant of Rat Liver Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of H141D Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2 b:24.1 occ:1.00 ND1 A:HIS126 2.2 17.6 1.0 OD1 A:ASP124 2.2 20.6 1.0 OD2 A:ASP234 2.2 19.8 1.0 OD2 A:ASP232 2.5 22.4 1.0 OD1 A:ASP234 2.6 18.9 1.0 CG A:ASP234 2.7 20.4 1.0 CE1 A:HIS126 2.9 16.7 1.0 CG A:ASP124 3.0 18.1 1.0 OD2 A:ASP124 3.0 19.4 1.0 CG A:ASP232 3.2 21.5 1.0 MN A:MN1 3.3 16.6 1.0 CG A:HIS126 3.3 16.8 1.0 OD1 A:ASP232 3.8 20.6 1.0 CB A:HIS126 3.8 18.6 1.0 N A:HIS126 4.0 17.1 1.0 CB A:ASP232 4.1 20.7 1.0 NE2 A:HIS126 4.1 16.0 1.0 OD1 A:ASP128 4.2 27.4 1.0 CB A:ASP234 4.2 18.2 1.0 N A:ALA125 4.3 17.0 1.0 CD2 A:HIS126 4.3 16.1 1.0 CB A:ASP124 4.4 18.5 1.0 CA A:HIS126 4.5 18.1 1.0 OD2 A:ASP128 4.6 26.1 1.0 CG A:ASP128 4.8 25.4 1.0 C A:ALA125 4.9 17.5 1.0 CB A:ALA125 4.9 17.0 1.0 CA A:ASP124 5.0 18.7 1.0 CA A:ALA125 5.0 17.8 1.0 O A:HIS126 5.0 17.7 1.0

Manganese binding site 3 out of 6 in the H141D Mutant of Rat Liver Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of H141D Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn3 b:31.1 occ:1.00 OD2 B:ASP124 2.1 20.0 1.0 OD2 B:ASP128 2.2 23.3 1.0 OD2 B:ASP232 2.5 20.2 1.0 ND1 B:HIS101 2.5 19.0 1.0 CG B:ASP128 2.9 23.2 1.0 MN B:MN4 3.1 17.6 1.0 OD1 B:ASP128 3.1 23.9 1.0 CG B:ASP124 3.2 19.5 1.0 CG B:HIS101 3.3 19.1 1.0 CB B:HIS101 3.4 19.1 1.0 CG B:ASP232 3.5 18.3 1.0 CE1 B:HIS101 3.5 19.3 1.0 OD1 B:ASP124 3.7 19.1 1.0 CB B:ASP232 3.8 18.7 1.0 O B:ASP141 4.0 35.5 1.0 CB B:ASP128 4.3 21.9 1.0 NE1 B:TRP122 4.3 15.8 1.0 CB B:ASP124 4.5 20.1 1.0 CD2 B:HIS101 4.5 18.3 1.0 OD1 B:ASP232 4.6 17.1 1.0 NE2 B:HIS101 4.6 19.8 1.0 CZ2 B:TRP122 4.9 16.3 1.0 O B:HOH856 4.9 24.9 1.0 CA B:HIS101 5.0 20.1 1.0 ND1 B:HIS126 5.0 21.1 1.0 OD1 B:ASP234 5.0 20.5 1.0 CE2 B:TRP122 5.0 16.2 1.0

Manganese binding site 4 out of 6 in the H141D Mutant of Rat Liver Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of H141D Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn4 b:17.6 occ:1.00 OD1 B:ASP124 2.1 19.1 1.0 ND1 B:HIS126 2.3 21.1 1.0 OD2 B:ASP234 2.4 18.4 1.0 OD2 B:ASP232 2.4 20.2 1.0 OD1 B:ASP234 2.5 20.5 1.0 CG B:ASP234 2.8 19.1 1.0 CG B:ASP124 2.8 19.5 1.0 OD2 B:ASP124 2.9 20.0 1.0 MN B:MN3 3.1 31.1 1.0 CE1 B:HIS126 3.2 19.8 1.0 CG B:ASP232 3.2 18.3 1.0 CG B:HIS126 3.4 19.6 1.0 CB B:HIS126 3.8 19.0 1.0 OD1 B:ASP232 3.8 17.1 1.0 N B:HIS126 4.0 18.2 1.0 CB B:ASP232 4.1 18.7 1.0 OD1 B:ASP128 4.1 23.9 1.0 N B:ALA125 4.2 18.8 1.0 CB B:ASP124 4.3 20.1 1.0 CB B:ASP234 4.3 18.5 1.0 NE2 B:HIS126 4.3 17.9 1.0 CD2 B:HIS126 4.5 18.7 1.0 CA B:HIS126 4.5 18.1 1.0 OD2 B:ASP128 4.5 23.3 1.0 CG B:ASP128 4.8 23.2 1.0 C B:ALA125 4.8 19.2 1.0 CA B:ASP124 4.8 19.1 1.0 O B:HIS126 4.9 17.2 1.0 CA B:ALA125 4.9 19.5 1.0 CB B:ALA125 4.9 20.9 1.0 C B:ASP124 5.0 18.6 1.0

Manganese binding site 5 out of 6 in the H141D Mutant of Rat Liver Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of H141D Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn5 b:17.0 occ:1.00 ND1 C:HIS101 2.3 19.2 1.0 OD2 C:ASP124 2.3 18.6 1.0 OD2 C:ASP128 2.3 24.1 1.0 OD2 C:ASP232 2.4 18.7 1.0 CG C:HIS101 3.0 19.4 1.0 CG C:ASP128 3.1 23.2 1.0 CB C:HIS101 3.1 19.8 1.0 MN C:MN320 3.2 24.1 1.0 OD1 C:ASP128 3.3 23.6 1.0 CE1 C:HIS101 3.4 18.7 1.0 CG C:ASP124 3.4 18.8 1.0 CG C:ASP232 3.5 17.3 1.0 CB C:ASP232 3.8 17.3 1.0 OD1 C:ASP124 3.9 18.0 1.0 O C:ASP141 4.2 33.4 1.0 CD2 C:HIS101 4.3 19.9 1.0 NE2 C:HIS101 4.4 20.8 1.0 CB C:ASP128 4.4 21.3 1.0 NE1 C:TRP122 4.4 16.9 1.0 OD1 C:ASP232 4.6 15.3 1.0 CA C:HIS101 4.6 20.2 1.0 CB C:ASP124 4.7 19.2 1.0 CZ2 C:TRP122 4.8 15.1 1.0 CG C:GLU277 4.8 17.9 1.0 OE2 C:GLU277 4.9 13.1 1.0

Manganese binding site 6 out of 6 in the H141D Mutant of Rat Liver Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of H141D Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn320 b:24.1 occ:1.00 OD1 C:ASP124 2.0 18.0 1.0 ND1 C:HIS126 2.4 20.9 1.0 OD2 C:ASP232 2.5 18.7 1.0 OD2 C:ASP234 2.6 20.6 1.0 OD1 C:ASP234 2.7 20.6 1.0 CG C:ASP124 2.7 18.8 1.0 OD2 C:ASP124 2.8 18.6 1.0 CG C:ASP234 3.0 20.8 1.0 MN C:MN5 3.2 17.0 1.0 CG C:ASP232 3.3 17.3 1.0 CG C:HIS126 3.4 21.1 1.0 CE1 C:HIS126 3.4 19.2 1.0 CB C:HIS126 3.6 19.8 1.0 N C:HIS126 3.9 18.4 1.0 OD1 C:ASP232 3.9 15.3 1.0 OD1 C:ASP128 4.0 23.6 1.0 CB C:ASP232 4.1 17.3 1.0 CB C:ASP124 4.2 19.2 1.0 N C:ALA125 4.2 20.1 1.0 OD2 C:ASP128 4.3 24.1 1.0 CA C:HIS126 4.3 18.6 1.0 NE2 C:HIS126 4.5 17.4 1.0 CD2 C:HIS126 4.5 19.3 1.0 CB C:ASP234 4.5 20.2 1.0 CG C:ASP128 4.5 23.2 1.0 O C:HIS126 4.7 16.6 1.0 C C:ALA125 4.7 19.5 1.0 CA C:ASP124 4.8 19.3 1.0 C C:HIS126 4.9 17.6 1.0 CA C:ALA125 4.9 18.7 1.0 C C:ASP124 5.0 19.7 1.0 CB C:ALA125 5.0 17.9 1.0

D.M.Colleluori, R.S.Reczkowski, F.A.Emig, E.Cama, J.D.Cox, L.R.Scolnick, K.Compher, K.Jude, S.Han, R.E.Viola, D.W.Christianson, D.E.Ash. Probing the Role of the Hyper-Reactive Histidine Residue of Arginase. Arch.Biochem.Biophys. V. 444 15 2005.
ISSN: ISSN 0003-9861
PubMed: 16266687
DOI: 10.1016/J.ABB.2005.09.009