Manganese in PDB 1wvb: Crystal Structure of Human Arginase I: the Mutant E256Q

All present enzymatic activity of Crystal Structure of Human Arginase I: the Mutant E256Q:
3.5.3.1;

The structure of Crystal Structure of Human Arginase I: the Mutant E256Q, PDB code: 1wvb was solved by L.Di Costanzo, S.Guadalupe, A.Mora, F.Centeno, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	90.272, 90.272, 69.305, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 21.7

The binding sites of Manganese atom in the Crystal Structure of Human Arginase I: the Mutant E256Q (pdb code 1wvb). 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 Human Arginase I: the Mutant E256Q, PDB code: 1wvb:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Human Arginase I: the Mutant E256Q


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 Human Arginase I: the Mutant E256Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1314 b:29.4 occ:1.00 OD2 A:ASP124 2.1 20.6 1.0 O3 A:S2C1316 2.1 49.5 1.0 OD2 A:ASP128 2.2 22.5 1.0 OD2 A:ASP232 2.3 30.2 1.0 ND1 A:HIS101 2.3 29.8 1.0 O1 A:S2C1316 2.5 50.4 1.0 B A:S2C1316 2.7 49.9 1.0 CG A:ASP128 3.1 22.0 1.0 CG A:HIS101 3.2 30.1 1.0 CG A:ASP124 3.2 20.7 1.0 O2 A:S2C1316 3.2 49.9 1.0 MN A:MN1315 3.2 27.6 1.0 CB A:HIS101 3.3 30.6 1.0 CG A:ASP232 3.3 28.7 1.0 CE1 A:HIS101 3.4 28.8 1.0 OD1 A:ASP128 3.4 18.6 1.0 OD1 A:ASP124 3.6 22.5 1.0 CB A:ASP232 3.7 26.6 1.0 CE A:S2C1316 4.2 49.6 1.0 NE1 A:TRP122 4.3 28.3 1.0 CZ2 A:TRP122 4.3 29.3 1.0 O A:HIS141 4.3 23.8 1.0 CD2 A:HIS101 4.3 30.2 1.0 CB A:ASP124 4.4 21.1 1.0 CG A:GLU277 4.4 29.4 1.0 NE2 A:HIS101 4.4 28.6 1.0 OD1 A:ASP232 4.5 26.7 1.0 CB A:ASP128 4.5 23.0 1.0 CD A:S2C1316 4.6 49.9 1.0 CE2 A:TRP122 4.7 28.4 1.0 OD2 A:ASP234 4.8 22.9 1.0 OD1 A:ASP234 4.8 23.2 1.0 CA A:HIS101 4.8 30.4 1.0 O A:HIS126 4.9 26.1 1.0 CB A:HIS126 5.0 22.2 1.0 ND1 A:HIS126 5.0 18.6 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Human Arginase I: the Mutant E256Q


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 Human Arginase I: the Mutant E256Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1315 b:27.6 occ:1.00 OD2 A:ASP234 2.1 22.9 1.0 O3 A:S2C1316 2.2 49.5 1.0 OD1 A:ASP234 2.3 23.2 1.0 OD1 A:ASP124 2.3 22.5 1.0 ND1 A:HIS126 2.4 18.6 1.0 CG A:ASP234 2.5 24.1 1.0 OD2 A:ASP232 2.5 30.2 1.0 O2 A:S2C1316 2.7 49.9 1.0 B A:S2C1316 3.0 49.9 1.0 CG A:ASP124 3.1 20.7 1.0 CG A:ASP232 3.1 28.7 1.0 OD2 A:ASP124 3.2 20.6 1.0 MN A:MN1314 3.2 29.4 1.0 CE1 A:HIS126 3.3 19.8 1.0 CG A:HIS126 3.4 20.7 1.0 OD1 A:ASP232 3.6 26.7 1.0 CB A:HIS126 3.7 22.2 1.0 CE A:S2C1316 3.9 49.6 1.0 CB A:ASP234 4.0 22.4 1.0 N A:HIS126 4.0 24.0 1.0 CB A:ASP232 4.1 26.6 1.0 O1 A:S2C1316 4.1 50.4 1.0 N A:ALA125 4.1 20.9 1.0 NE2 A:HIS126 4.4 18.8 1.0 CD A:S2C1316 4.4 49.9 1.0 CB A:ASP124 4.4 21.1 1.0 CA A:HIS126 4.5 23.2 1.0 CD2 A:HIS126 4.5 19.1 1.0 OD1 A:ASP128 4.7 18.6 1.0 O A:THR246 4.7 33.3 1.0 OD2 A:ASP128 4.7 22.5 1.0 C A:ALA125 4.7 22.3 1.0 CB A:ALA125 4.8 23.1 1.0 CA A:ALA125 4.8 22.1 1.0 CA A:ASP124 4.9 20.6 1.0 CA A:ASP234 4.9 21.6 1.0 C A:ASP234 4.9 21.4 1.0 C A:ASP124 4.9 21.1 1.0 O A:ASP234 5.0 20.6 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Human Arginase I: the Mutant E256Q


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 Human Arginase I: the Mutant E256Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2314 b:25.4 occ:1.00 OD2 B:ASP124 2.0 23.1 1.0 ND1 B:HIS101 2.1 22.1 1.0 OD2 B:ASP232 2.2 22.6 1.0 OD2 B:ASP128 2.2 19.7 1.0 O3 B:S2C1317 2.3 39.7 1.0 O1 B:S2C1317 2.6 40.5 1.0 B B:S2C1317 3.0 40.8 1.0 CG B:ASP232 3.0 22.2 1.0 CE1 B:HIS101 3.1 20.9 1.0 CG B:ASP124 3.1 20.7 1.0 CG B:HIS101 3.2 21.9 1.0 CG B:ASP128 3.2 21.5 1.0 MN B:MN2315 3.3 22.9 1.0 CB B:ASP232 3.4 21.1 1.0 CB B:HIS101 3.5 23.1 1.0 OD1 B:ASP124 3.6 22.0 1.0 OD1 B:ASP128 3.6 19.8 1.0 O2 B:S2C1317 3.7 40.1 1.0 OD1 B:ASP232 4.1 25.0 1.0 NE2 B:HIS101 4.2 17.8 1.0 CD2 B:HIS101 4.3 20.4 1.0 O B:HIS141 4.3 21.4 1.0 CE B:S2C1317 4.3 41.7 1.0 CB B:ASP124 4.4 20.6 1.0 CZ2 B:TRP122 4.5 28.3 1.0 NE1 B:TRP122 4.5 27.0 1.0 CB B:ASP128 4.5 21.3 1.0 CG B:GLU277 4.6 27.7 1.0 CA B:ASP232 4.7 22.4 1.0 OD1 B:ASP234 4.7 24.4 1.0 OE2 B:GLU277 4.7 29.1 1.0 CE2 B:TRP122 4.8 26.8 1.0 OD2 B:ASP234 4.9 24.3 1.0 ND1 B:HIS126 5.0 14.7 1.0 CA B:HIS101 5.0 25.4 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Human Arginase I: the Mutant E256Q


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 Human Arginase I: the Mutant E256Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2315 b:22.9 occ:1.00 OD1 B:ASP234 2.1 24.4 1.0 ND1 B:HIS126 2.2 14.7 1.0 OD2 B:ASP232 2.2 22.6 1.0 O3 B:S2C1317 2.2 39.7 1.0 OD1 B:ASP124 2.2 22.0 1.0 OD2 B:ASP234 2.5 24.3 1.0 O2 B:S2C1317 2.5 40.1 1.0 CG B:ASP234 2.6 24.5 1.0 CE1 B:HIS126 2.9 14.4 1.0 B B:S2C1317 2.9 40.8 1.0 CG B:ASP124 3.0 20.7 1.0 CG B:ASP232 3.1 22.2 1.0 OD2 B:ASP124 3.2 23.1 1.0 MN B:MN2314 3.3 25.4 1.0 CG B:HIS126 3.3 15.7 1.0 OD1 B:ASP232 3.8 25.0 1.0 O1 B:S2C1317 3.8 40.5 1.0 CB B:HIS126 3.9 18.6 1.0 N B:HIS126 3.9 17.6 1.0 CE B:S2C1317 4.1 41.7 1.0 CB B:ASP232 4.1 21.1 1.0 N B:ALA125 4.1 16.4 1.0 NE2 B:HIS126 4.1 16.2 1.0 CD B:S2C1317 4.1 43.9 1.0 CB B:ASP234 4.1 24.2 1.0 CD2 B:HIS126 4.3 15.7 1.0 OD1 B:ASP128 4.4 19.8 1.0 CB B:ASP124 4.4 20.6 1.0 CA B:HIS126 4.5 18.6 1.0 OD2 B:ASP128 4.5 19.7 1.0 CB B:ALA125 4.7 15.0 1.0 C B:ALA125 4.8 16.0 1.0 CA B:ALA125 4.8 16.2 1.0 CA B:ASP124 4.9 19.5 1.0 O B:HIS126 4.9 20.7 1.0 CG B:ASP128 4.9 21.5 1.0 O B:THR246 4.9 25.4 1.0 C B:ASP124 5.0 18.4 1.0

L.Di Costanzo, S.Guadalupe, A.Mora, F.Centeno, D.W.Christianson. Crystal Structure of Human Arginase I: the Mutant E256Q To Be Published.