Manganese in PDB 1tbj: H141A Mutant of Rat Liver Arginase I

All present enzymatic activity of H141A Mutant of Rat Liver Arginase I:
3.5.3.1;

The structure of H141A Mutant of Rat Liver Arginase I, PDB code: 1tbj 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)	19.80 / 2.80
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	87.815, 87.815, 110.916, 90.00, 90.00, 120.00
R / Rfree (%)	26.3 / 29.9

The binding sites of Manganese atom in the H141A Mutant of Rat Liver Arginase I (pdb code 1tbj). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the H141A Mutant of Rat Liver Arginase I, PDB code: 1tbj:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in the H141A 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 H141A Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn500 b:81.0 occ:1.00 OD1 A:ASP124 2.1 74.4 1.0 ND1 A:HIS126 2.1 76.1 1.0 O A:HOH821 2.2 54.1 1.0 OD2 A:ASP232 2.3 70.6 1.0 OD2 A:ASP234 2.4 59.4 1.0 OD1 A:ASP234 2.5 59.9 1.0 CG A:ASP234 2.8 59.5 1.0 CG A:ASP124 3.0 72.1 1.0 CE1 A:HIS126 3.0 74.9 1.0 OD2 A:ASP124 3.1 73.0 1.0 CG A:ASP232 3.2 69.6 1.0 CG A:HIS126 3.2 76.0 1.0 MN A:MN501 3.3 93.4 1.0 CB A:HIS126 3.6 77.5 1.0 O A:HOH819 3.8 47.3 1.0 OD1 A:ASP232 3.8 71.6 1.0 CB A:ASP232 4.1 66.0 1.0 N A:HIS126 4.1 78.4 1.0 NE2 A:HIS126 4.1 74.5 1.0 CD2 A:HIS126 4.3 75.6 1.0 N A:ALA125 4.3 71.9 1.0 OD1 A:ASP128 4.3 0.6 1.0 CB A:ASP124 4.3 69.8 1.0 CB A:ASP234 4.3 57.5 1.0 OD2 A:ASP128 4.4 0.4 1.0 CA A:HIS126 4.5 81.4 1.0 CG A:ASP128 4.8 0.1 1.0 CA A:ASP124 4.9 65.4 1.0 C A:ALA125 5.0 73.9 1.0

Manganese binding site 2 out of 6 in the H141A 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 H141A Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:93.4 occ:1.00 OD2 A:ASP128 2.0 0.4 1.0 O A:HOH821 2.1 54.1 1.0 ND1 A:HIS101 2.1 78.0 1.0 OD2 A:ASP124 2.2 73.0 1.0 OD2 A:ASP232 2.5 70.6 1.0 CG A:HIS101 2.9 77.9 1.0 CG A:ASP128 3.1 0.1 1.0 CB A:HIS101 3.1 77.5 1.0 CE1 A:HIS101 3.2 77.8 1.0 CG A:ASP124 3.3 72.1 1.0 MN A:MN500 3.3 81.0 1.0 CG A:ASP232 3.4 69.6 1.0 OD1 A:ASP128 3.5 0.6 1.0 OD1 A:ASP124 3.7 74.4 1.0 CB A:ASP232 3.8 66.0 1.0 CD2 A:HIS101 4.1 76.9 1.0 NE2 A:HIS101 4.2 77.2 1.0 CB A:ASP128 4.4 98.6 1.0 NE1 A:TRP122 4.4 71.0 1.0 O A:ALA141 4.5 99.4 1.0 OE2 A:GLU277 4.5 72.6 1.0 O A:HOH819 4.5 47.3 1.0 OD1 A:ASP232 4.5 71.6 1.0 CZ2 A:TRP122 4.5 72.5 1.0 CB A:ASP124 4.5 69.8 1.0 CG A:GLU277 4.7 71.9 1.0 CA A:HIS101 4.7 74.6 1.0 CE2 A:TRP122 4.8 72.1 1.0 OD2 A:ASP234 5.0 59.4 1.0

Manganese binding site 3 out of 6 in the H141A 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 H141A Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn502 b:69.2 occ:1.00 O B:HOH822 2.0 54.1 1.0 OD1 B:ASP124 2.1 60.0 1.0 ND1 B:HIS126 2.3 64.9 1.0 OD1 B:ASP234 2.5 66.2 1.0 OD2 B:ASP232 2.5 56.1 1.0 OD2 B:ASP234 2.5 67.1 1.0 CG B:ASP234 2.8 63.7 1.0 CG B:ASP124 3.0 60.2 1.0 CE1 B:HIS126 3.0 66.0 1.0 CG B:ASP232 3.1 56.8 1.0 OD2 B:ASP124 3.1 59.9 1.0 MN B:MN503 3.3 70.7 1.0 CG B:HIS126 3.4 66.5 1.0 O B:HOH820 3.4 47.3 1.0 OD1 B:ASP232 3.6 58.0 1.0 CB B:HIS126 3.9 67.6 1.0 CB B:ASP232 4.0 55.0 1.0 N B:HIS126 4.2 65.1 1.0 NE2 B:HIS126 4.2 65.0 1.0 N B:ALA125 4.3 66.1 1.0 CB B:ASP234 4.3 57.4 1.0 OD2 B:ASP128 4.3 79.2 1.0 CB B:ASP124 4.4 59.5 1.0 OD1 B:ASP128 4.4 77.8 1.0 CD2 B:HIS126 4.4 65.9 1.0 CA B:HIS126 4.6 67.3 1.0 O B:HOH813 4.7 36.6 1.0 CG B:ASP128 4.8 79.1 1.0 CA B:ASP124 4.9 54.7 1.0

Manganese binding site 4 out of 6 in the H141A 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 H141A Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn503 b:70.7 occ:1.00 OD2 B:ASP128 2.0 79.2 1.0 O B:HOH822 2.0 54.1 1.0 ND1 B:HIS101 2.1 62.5 1.0 OD2 B:ASP124 2.1 59.9 1.0 OD2 B:ASP232 2.5 56.1 1.0 CG B:HIS101 3.0 63.3 1.0 CG B:ASP128 3.0 79.1 1.0 CB B:HIS101 3.2 63.4 1.0 CE1 B:HIS101 3.2 61.5 1.0 CG B:ASP124 3.3 60.2 1.0 MN B:MN502 3.3 69.2 1.0 OD1 B:ASP128 3.4 77.8 1.0 CG B:ASP232 3.5 56.8 1.0 OD1 B:ASP124 3.7 60.0 1.0 CB B:ASP232 3.8 55.0 1.0 CD2 B:HIS101 4.2 63.1 1.0 NE2 B:HIS101 4.2 61.4 1.0 CB B:ASP128 4.3 79.2 1.0 O B:HOH813 4.3 36.6 1.0 NE1 B:TRP122 4.3 65.1 1.0 O B:ALA141 4.4 91.1 1.0 CZ2 B:TRP122 4.4 67.7 1.0 O B:HOH820 4.5 47.3 1.0 CB B:ASP124 4.5 59.5 1.0 OE2 B:GLU277 4.6 60.9 1.0 OD1 B:ASP232 4.7 58.0 1.0 CA B:HIS101 4.7 63.2 1.0 CG B:GLU277 4.7 59.9 1.0 CE2 B:TRP122 4.7 66.5 1.0

Manganese binding site 5 out of 6 in the H141A 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 H141A Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn504 b:53.9 occ:1.00 OD1 C:ASP124 2.1 63.8 1.0 O C:HOH814 2.1 54.1 1.0 ND1 C:HIS126 2.2 60.5 1.0 OD2 C:ASP232 2.3 60.9 1.0 OD2 C:ASP234 2.5 49.7 1.0 OD1 C:ASP234 2.5 45.9 1.0 CG C:ASP234 2.8 46.4 1.0 CG C:ASP124 2.9 65.8 1.0 CE1 C:HIS126 3.0 60.0 1.0 OD2 C:ASP124 3.1 68.9 1.0 CG C:ASP232 3.2 61.2 1.0 CG C:HIS126 3.3 62.1 1.0 MN C:MN505 3.4 70.8 1.0 CB C:HIS126 3.7 65.0 1.0 OD1 C:ASP232 3.8 62.6 1.0 O C:HOH804 3.8 47.3 1.0 CB C:ASP232 4.1 58.5 1.0 N C:HIS126 4.1 69.7 1.0 NE2 C:HIS126 4.2 58.3 1.0 N C:ALA125 4.2 62.1 1.0 CD2 C:HIS126 4.3 60.3 1.0 CB C:ASP124 4.3 63.3 1.0 OD1 C:ASP128 4.3 90.7 1.0 CB C:ASP234 4.3 44.7 1.0 OD2 C:ASP128 4.4 89.5 1.0 CA C:HIS126 4.6 71.5 1.0 CG C:ASP128 4.8 88.9 1.0 CA C:ASP124 4.8 59.5 1.0 C C:ALA125 4.9 64.3 1.0

Manganese binding site 6 out of 6 in the H141A 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 H141A Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn505 b:70.8 occ:1.00 OD2 C:ASP128 2.1 89.5 1.0 ND1 C:HIS101 2.1 56.7 1.0 O C:HOH814 2.1 54.1 1.0 OD2 C:ASP124 2.2 68.9 1.0 OD2 C:ASP232 2.4 60.9 1.0 CG C:HIS101 2.9 59.3 1.0 CG C:ASP128 3.1 88.9 1.0 CB C:HIS101 3.1 64.0 1.0 CE1 C:HIS101 3.2 56.3 1.0 CG C:ASP124 3.3 65.8 1.0 MN C:MN504 3.4 53.9 1.0 CG C:ASP232 3.4 61.2 1.0 OD1 C:ASP128 3.5 90.7 1.0 CB C:ASP232 3.8 58.5 1.0 OD1 C:ASP124 3.8 63.8 1.0 CD2 C:HIS101 4.1 55.7 1.0 NE2 C:HIS101 4.2 53.8 1.0 CB C:ASP128 4.4 86.7 1.0 OE2 C:GLU277 4.5 66.4 1.0 NE1 C:TRP122 4.5 53.5 1.0 OD1 C:ASP232 4.5 62.6 1.0 O C:HOH804 4.5 47.3 1.0 CZ2 C:TRP122 4.6 57.8 1.0 CB C:ASP124 4.6 63.3 1.0 O C:ALA141 4.6 89.2 1.0 CA C:HIS101 4.6 82.0 1.0 CG C:GLU277 4.6 66.2 1.0 CE2 C:TRP122 4.9 56.4 1.0 ND1 C:HIS126 5.0 60.5 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