Manganese in PDB 2pll: Crystal Structure of Perdeuterated Human Arginase I

All present enzymatic activity of Crystal Structure of Perdeuterated Human Arginase I:
3.5.3.1;

The structure of Crystal Structure of Perdeuterated Human Arginase I, PDB code: 2pll was solved by L.Di Costanzo, M.Moulin, M.Haertlein, F.Meilleur, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.50 / 1.90
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	90.784, 90.784, 69.514, 90.00, 90.00, 120.00
R / Rfree (%)	14.1 / 20.1

The binding sites of Manganese atom in the Crystal Structure of Perdeuterated Human Arginase I (pdb code 2pll). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Perdeuterated Human Arginase I, PDB code: 2pll:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Perdeuterated Human Arginase I


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 Perdeuterated Human Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn463 b:9.2 occ:1.00 OD2 A:ASP234 2.1 5.0 1.0 OD1 A:ASP124 2.2 6.3 1.0 O1 A:ABH555 2.2 11.6 1.0 OD2 A:ASP232 2.3 9.4 1.0 ND1 A:HIS126 2.4 3.9 1.0 OD1 A:ASP234 2.5 2.4 1.0 CG A:ASP234 2.7 2.5 1.0 O3 A:ABH555 3.2 13.5 1.0 CG A:ASP124 3.2 5.9 1.0 CE1 A:HIS126 3.2 2.9 1.0 CG A:ASP232 3.2 9.7 1.0 B A:ABH555 3.3 12.4 1.0 MN A:MN464 3.3 9.9 1.0 OD2 A:ASP124 3.5 8.1 1.0 CG A:HIS126 3.5 5.6 1.0 OD1 A:ASP232 3.7 11.6 1.0 CB A:HIS126 3.9 6.0 1.0 N A:HIS126 4.1 7.0 1.0 O2 A:ABH555 4.1 14.6 1.0 N A:ALA125 4.2 6.4 1.0 CB A:ASP234 4.2 4.4 1.0 CB A:ASP232 4.2 10.0 1.0 NE2 A:HIS126 4.4 3.7 1.0 CE A:ABH555 4.4 14.3 1.0 O A:HOH605 4.4 11.5 1.0 CB A:ASP124 4.5 6.7 1.0 CD2 A:HIS126 4.5 2.3 1.0 CA A:HIS126 4.6 6.7 1.0 CD A:ABH555 4.6 17.9 1.0 OD1 A:ASP128 4.7 5.0 1.0 CB A:ALA125 4.8 4.5 1.0 C A:ALA125 4.9 6.1 1.0 CA A:ALA125 4.9 7.0 1.0 CA A:ASP124 4.9 6.7 1.0 OD2 A:ASP128 4.9 9.3 1.0 O A:HOH648 5.0 14.3 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Perdeuterated Human Arginase I


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 Perdeuterated Human Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn464 b:9.9 occ:1.00 OD2 A:ASP124 2.1 8.1 1.0 OD2 A:ASP232 2.2 9.4 1.0 OD2 A:ASP128 2.2 9.3 1.0 O1 A:ABH555 2.3 11.6 1.0 ND1 A:HIS101 2.3 5.9 1.0 O2 A:ABH555 2.7 14.6 1.0 B A:ABH555 3.1 12.4 1.0 CG A:ASP124 3.1 5.9 1.0 CG A:ASP232 3.2 9.7 1.0 CG A:ASP128 3.2 6.9 1.0 CE1 A:HIS101 3.3 8.6 1.0 CG A:HIS101 3.3 6.8 1.0 MN A:MN463 3.3 9.2 1.0 OD1 A:ASP124 3.4 6.3 1.0 OD1 A:ASP128 3.4 5.0 1.0 CB A:HIS101 3.5 7.9 1.0 CB A:ASP232 3.6 10.0 1.0 O3 A:ABH555 3.8 13.5 1.0 OD1 A:ASP232 4.3 11.6 1.0 NE1 A:TRP122 4.3 9.3 1.0 CE A:ABH555 4.3 14.3 1.0 NE2 A:HIS101 4.4 8.5 1.0 CD2 A:HIS101 4.4 6.7 1.0 O A:HIS141 4.4 6.5 1.0 CB A:ASP124 4.5 6.7 1.0 CB A:ASP128 4.6 9.0 1.0 CZ2 A:TRP122 4.6 5.0 1.0 CG A:GLU277 4.6 10.2 1.0 CE2 A:TRP122 4.8 6.0 1.0 OE2 A:GLU277 4.9 11.3 1.0 CA A:ASP232 4.9 8.6 1.0 OD2 A:ASP234 4.9 5.0 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Perdeuterated Human Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Perdeuterated Human Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn461 b:9.9 occ:1.00 O1 B:ABH556 2.1 16.7 1.0 OD1 B:ASP234 2.2 6.8 1.0 ND1 B:HIS126 2.3 2.1 1.0 OD1 B:ASP124 2.4 6.5 1.0 OD2 B:ASP232 2.4 6.1 1.0 OD2 B:ASP234 2.4 8.7 1.0 CG B:ASP234 2.6 7.7 1.0 O3 B:ABH556 3.0 18.4 1.0 CE1 B:HIS126 3.1 2.6 1.0 B B:ABH556 3.1 19.1 1.0 CG B:ASP232 3.2 8.8 1.0 CG B:ASP124 3.3 4.0 1.0 MN B:MN462 3.4 13.2 1.0 CG B:HIS126 3.4 6.5 1.0 OD2 B:ASP124 3.6 8.6 1.0 OD1 B:ASP232 3.7 10.1 1.0 CB B:HIS126 3.9 6.2 1.0 O2 B:ABH556 4.0 20.8 1.0 CB B:ASP234 4.1 8.8 1.0 N B:HIS126 4.2 8.0 1.0 CB B:ASP232 4.2 11.0 1.0 NE2 B:HIS126 4.3 5.1 1.0 CE B:ABH556 4.3 20.3 1.0 N B:ALA125 4.3 7.4 1.0 CD B:ABH556 4.4 22.0 1.0 CD2 B:HIS126 4.5 6.3 1.0 O B:HOH582 4.6 12.5 1.0 CA B:HIS126 4.6 8.7 1.0 CB B:ASP124 4.7 7.2 1.0 OD1 B:ASP128 4.7 10.0 1.0 C B:ALA125 4.9 6.7 1.0 CB B:ALA125 5.0 6.7 1.0 CA B:ASP124 5.0 6.8 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Perdeuterated Human Arginase I


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Perdeuterated Human Arginase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn462 b:13.2 occ:1.00 OD2 B:ASP128 2.2 9.9 1.0 OD2 B:ASP124 2.3 8.6 1.0 ND1 B:HIS101 2.3 13.9 1.0 O1 B:ABH556 2.4 16.7 1.0 OD2 B:ASP232 2.5 6.1 1.0 O2 B:ABH556 2.5 20.8 1.0 B B:ABH556 3.1 19.1 1.0 CG B:ASP128 3.2 9.2 1.0 CG B:HIS101 3.2 14.6 1.0 CG B:ASP124 3.3 4.0 1.0 CE1 B:HIS101 3.3 14.8 1.0 MN B:MN461 3.4 9.9 1.0 CB B:HIS101 3.4 14.4 1.0 OD1 B:ASP128 3.4 10.0 1.0 CG B:ASP232 3.4 8.8 1.0 OD1 B:ASP124 3.5 6.5 1.0 CB B:ASP232 3.6 11.0 1.0 O3 B:ABH556 3.9 18.4 1.0 CE B:ABH556 4.3 20.3 1.0 NE1 B:TRP122 4.3 13.4 1.0 CD2 B:HIS101 4.3 16.0 1.0 NE2 B:HIS101 4.3 15.8 1.0 O B:HIS141 4.3 8.2 1.0 CZ2 B:TRP122 4.4 13.7 1.0 CB B:ASP128 4.5 9.6 1.0 CB B:ASP124 4.6 7.2 1.0 OD1 B:ASP232 4.6 10.1 1.0 CE2 B:TRP122 4.7 13.8 1.0 CG B:GLU277 4.7 14.1 1.0 OE2 B:GLU277 4.8 17.5 1.0 CA B:HIS101 4.9 14.2 1.0

L.Di Costanzo, M.Moulin, M.Haertlein, F.Meilleur, D.W.Christianson. Expression, Purification, Assay, and Crystal Structure of Perdeuterated Human Arginase I Arch.Biochem.Biophys. V. 465 82 2007.
ISSN: ISSN 0003-9861
PubMed: 17562323
DOI: 10.1016/J.ABB.2007.04.036