Manganese in PDB 1ta1: H141C Mutant of Rat Liver Arginase I

All present enzymatic activity of H141C Mutant of Rat Liver Arginase I:
3.5.3.1;

The structure of H141C Mutant of Rat Liver Arginase I, PDB code: 1ta1 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)	19.50 / 2.50
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	87.357, 87.357, 105.656, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 24.8

The binding sites of Manganese atom in the H141C Mutant of Rat Liver Arginase I (pdb code 1ta1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the H141C Mutant of Rat Liver Arginase I, PDB code: 1ta1:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in the H141C 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 H141C 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 OD1 A:ASP124 2.1 13.6 1.0 OD2 A:ASP234 2.2 17.3 1.0 O2 A:GOL1001 2.3 42.4 1.0 OD2 A:ASP232 2.3 15.9 1.0 ND1 A:HIS126 2.4 13.9 1.0 OD1 A:ASP234 2.6 16.4 1.0 CG A:ASP234 2.7 16.1 1.0 CG A:ASP124 3.0 12.1 1.0 CG A:ASP232 3.1 15.2 1.0 C2 A:GOL1001 3.1 45.3 1.0 MN A:MN2 3.2 16.9 1.0 CE1 A:HIS126 3.2 12.3 1.0 OD2 A:ASP124 3.2 9.0 1.0 CG A:HIS126 3.4 13.3 1.0 OD1 A:ASP232 3.6 15.8 1.0 CB A:HIS126 3.8 12.5 1.0 O3 A:GOL1001 3.9 45.4 1.0 N A:HIS126 4.0 14.7 1.0 CB A:ASP232 4.0 14.5 1.0 C3 A:GOL1001 4.1 45.5 1.0 N A:ALA125 4.1 11.9 1.0 CB A:ASP234 4.2 14.6 1.0 C1 A:GOL1001 4.2 44.7 1.0 NE2 A:HIS126 4.3 13.1 1.0 OD1 A:ASP128 4.4 19.9 1.0 CB A:ASP124 4.4 11.0 1.0 CD2 A:HIS126 4.5 13.3 1.0 CA A:HIS126 4.5 13.5 1.0 O A:HOH956 4.7 27.8 1.0 CB A:ALA125 4.8 12.2 1.0 CA A:ASP124 4.8 10.1 1.0 OD2 A:ASP128 4.8 16.8 1.0 C A:ALA125 4.8 14.7 1.0 CA A:ALA125 4.9 13.2 1.0 O1 A:GOL1001 4.9 45.1 1.0 C A:ASP124 4.9 11.2 1.0 CG A:ASP128 5.0 19.1 1.0

Manganese binding site 2 out of 6 in the H141C 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 H141C Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2 b:16.9 occ:1.00 OD2 A:ASP232 2.1 15.9 1.0 OD2 A:ASP124 2.1 9.0 1.0 OD2 A:ASP128 2.2 16.8 1.0 ND1 A:HIS101 2.3 13.3 1.0 O2 A:GOL1001 2.5 42.4 1.0 O3 A:GOL1001 2.6 45.4 1.0 CG A:ASP128 3.1 19.1 1.0 CG A:ASP124 3.2 12.1 1.0 MN A:MN1 3.2 16.6 1.0 CG A:ASP232 3.2 15.2 1.0 CG A:HIS101 3.2 12.0 1.0 CE1 A:HIS101 3.3 12.6 1.0 OD1 A:ASP128 3.3 19.9 1.0 CB A:HIS101 3.4 11.0 1.0 OD1 A:ASP124 3.5 13.6 1.0 C2 A:GOL1001 3.6 45.3 1.0 CB A:ASP232 3.6 14.5 1.0 C3 A:GOL1001 3.7 45.5 1.0 OD1 A:ASP232 4.2 15.8 1.0 CD2 A:HIS101 4.4 12.8 1.0 NE2 A:HIS101 4.4 12.8 1.0 NE1 A:TRP122 4.4 9.3 1.0 CB A:ASP124 4.5 11.0 1.0 CG A:GLU277 4.5 18.4 1.0 CB A:ASP128 4.5 18.1 1.0 OE2 A:GLU277 4.5 18.6 1.0 CZ2 A:TRP122 4.6 8.1 1.0 C1 A:GOL1001 4.7 44.7 1.0 O A:CYS141 4.7 16.1 1.0 OD2 A:ASP234 4.9 17.3 1.0 CE2 A:TRP122 4.9 7.8 1.0 CA A:ASP232 4.9 14.3 1.0 CA A:HIS101 4.9 12.1 1.0 CD A:GLU277 5.0 18.8 1.0

Manganese binding site 3 out of 6 in the H141C 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 H141C Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn3 b:15.7 occ:1.00 OD1 B:ASP124 2.1 11.5 1.0 OD2 B:ASP234 2.2 17.8 1.0 O2 B:GOL1003 2.3 66.6 1.0 ND1 B:HIS126 2.3 11.9 1.0 OD2 B:ASP232 2.4 14.4 1.0 OD1 B:ASP234 2.6 18.7 1.0 CG B:ASP234 2.7 16.9 1.0 CG B:ASP124 3.0 12.8 1.0 CG B:ASP232 3.1 13.1 1.0 C2 B:GOL1003 3.1 66.9 1.0 CE1 B:HIS126 3.1 10.9 1.0 MN B:MN4 3.2 14.9 1.0 OD2 B:ASP124 3.3 10.8 1.0 CG B:HIS126 3.4 11.5 1.0 OD1 B:ASP232 3.6 13.2 1.0 CB B:HIS126 3.8 11.5 1.0 N B:HIS126 3.9 13.5 1.0 O3 B:GOL1003 4.0 64.2 1.0 CB B:ASP232 4.0 12.8 1.0 N B:ALA125 4.1 11.4 1.0 C3 B:GOL1003 4.1 66.0 1.0 C1 B:GOL1003 4.1 67.2 1.0 CB B:ASP234 4.2 16.2 1.0 NE2 B:HIS126 4.3 12.2 1.0 O B:HOH977 4.3 23.4 1.0 OD1 B:ASP128 4.4 19.0 1.0 CB B:ASP124 4.4 9.8 1.0 CD2 B:HIS126 4.4 12.0 1.0 CA B:HIS126 4.5 13.1 1.0 CB B:ALA125 4.7 12.4 1.0 OD2 B:ASP128 4.8 18.2 1.0 CA B:ASP124 4.8 10.8 1.0 C B:ALA125 4.8 13.7 1.0 CA B:ALA125 4.8 12.6 1.0 O1 B:GOL1003 4.9 67.5 1.0 C B:ASP124 4.9 10.6 1.0 CG B:ASP128 5.0 18.9 1.0

Manganese binding site 4 out of 6 in the H141C 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 H141C Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn4 b:14.9 occ:1.00 OD2 B:ASP124 2.0 10.8 1.0 OD2 B:ASP128 2.1 18.2 1.0 OD2 B:ASP232 2.2 14.4 1.0 ND1 B:HIS101 2.3 12.9 1.0 O2 B:GOL1003 2.5 66.6 1.0 O3 B:GOL1003 2.8 64.2 1.0 CG B:ASP128 3.0 18.9 1.0 CG B:ASP124 3.0 12.8 1.0 MN B:MN3 3.2 15.7 1.0 CG B:ASP232 3.2 13.1 1.0 OD1 B:ASP128 3.2 19.0 1.0 CE1 B:HIS101 3.2 13.5 1.0 CG B:HIS101 3.3 12.5 1.0 OD1 B:ASP124 3.4 11.5 1.0 CB B:HIS101 3.5 12.2 1.0 CB B:ASP232 3.6 12.8 1.0 C2 B:GOL1003 3.7 66.9 1.0 C3 B:GOL1003 3.8 66.0 1.0 NE1 B:TRP122 4.3 11.2 1.0 OD1 B:ASP232 4.3 13.2 1.0 CB B:ASP124 4.3 9.8 1.0 NE2 B:HIS101 4.4 14.4 1.0 CD2 B:HIS101 4.4 12.6 1.0 CB B:ASP128 4.4 16.9 1.0 CZ2 B:TRP122 4.5 12.1 1.0 CG B:GLU277 4.6 20.6 1.0 OE2 B:GLU277 4.7 22.1 1.0 O B:CYS141 4.7 18.5 1.0 CE2 B:TRP122 4.8 11.6 1.0 C1 B:GOL1003 4.8 67.2 1.0 CA B:ASP232 4.9 12.5 1.0 OD2 B:ASP234 4.9 17.8 1.0 CB B:HIS126 5.0 11.5 1.0 O B:HIS126 5.0 14.9 1.0 ND1 B:HIS126 5.0 11.9 1.0

Manganese binding site 5 out of 6 in the H141C 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 H141C Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn5 b:15.3 occ:1.00 OD1 C:ASP124 2.1 10.2 1.0 OD2 C:ASP234 2.2 11.2 1.0 ND1 C:HIS126 2.3 11.2 1.0 O2 C:GOL1005 2.3 44.6 1.0 OD2 C:ASP232 2.4 12.1 1.0 OD1 C:ASP234 2.5 15.4 1.0 CG C:ASP234 2.7 12.6 1.0 CG C:ASP124 3.0 12.9 1.0 CE1 C:HIS126 3.1 9.3 1.0 C2 C:GOL1005 3.1 45.3 1.0 CG C:ASP232 3.1 11.2 1.0 MN C:MN320 3.2 16.1 1.0 OD2 C:ASP124 3.3 13.7 1.0 CG C:HIS126 3.3 10.4 1.0 OD1 C:ASP232 3.6 11.6 1.0 CB C:HIS126 3.8 9.8 1.0 O3 C:GOL1005 3.8 43.7 1.0 N C:HIS126 3.9 11.4 1.0 C3 C:GOL1005 4.0 46.1 1.0 CB C:ASP232 4.1 11.7 1.0 N C:ALA125 4.1 11.1 1.0 CB C:ASP234 4.2 13.7 1.0 NE2 C:HIS126 4.2 11.8 1.0 C1 C:GOL1005 4.2 45.0 1.0 OD1 C:ASP128 4.3 17.9 1.0 CD2 C:HIS126 4.4 11.8 1.0 CB C:ASP124 4.4 9.7 1.0 CA C:HIS126 4.5 11.6 1.0 O C:HOH878 4.6 16.2 1.0 OD2 C:ASP128 4.7 17.2 1.0 CB C:ALA125 4.7 13.3 1.0 O1 C:GOL1005 4.8 44.9 1.0 CA C:ASP124 4.8 10.2 1.0 C C:ALA125 4.8 12.7 1.0 CA C:ALA125 4.8 12.4 1.0 C C:ASP124 4.9 10.2 1.0 CG C:ASP128 5.0 17.6 1.0

Manganese binding site 6 out of 6 in the H141C 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 H141C Mutant of Rat Liver Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn320 b:16.1 occ:1.00 OD2 C:ASP124 2.0 13.7 1.0 OD2 C:ASP232 2.1 12.1 1.0 OD2 C:ASP128 2.1 17.2 1.0 ND1 C:HIS101 2.3 13.7 1.0 O2 C:GOL1005 2.5 44.6 1.0 O3 C:GOL1005 2.8 43.7 1.0 CG C:ASP124 3.0 12.9 1.0 CG C:ASP128 3.1 17.6 1.0 MN C:MN5 3.2 15.3 1.0 CG C:ASP232 3.2 11.2 1.0 CE1 C:HIS101 3.2 13.0 1.0 CG C:HIS101 3.3 12.2 1.0 OD1 C:ASP128 3.3 17.9 1.0 OD1 C:ASP124 3.4 10.2 1.0 CB C:HIS101 3.5 12.0 1.0 CB C:ASP232 3.6 11.7 1.0 C2 C:GOL1005 3.6 45.3 1.0 C3 C:GOL1005 3.7 46.1 1.0 OD1 C:ASP232 4.3 11.6 1.0 NE1 C:TRP122 4.3 9.4 1.0 CB C:ASP124 4.3 9.7 1.0 NE2 C:HIS101 4.4 12.4 1.0 CD2 C:HIS101 4.4 12.9 1.0 CB C:ASP128 4.4 15.1 1.0 CZ2 C:TRP122 4.6 6.9 1.0 CG C:GLU277 4.6 19.4 1.0 OE2 C:GLU277 4.7 21.1 1.0 O C:CYS141 4.7 19.0 1.0 C1 C:GOL1005 4.7 45.0 1.0 CE2 C:TRP122 4.8 9.2 1.0 CA C:ASP232 4.9 11.9 1.0 OD2 C:ASP234 4.9 11.2 1.0 ND1 C:HIS126 5.0 11.2 1.0 OD1 C:ASP234 5.0 15.4 1.0 CB C:HIS126 5.0 9.8 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