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Manganese in PDB 3mjl: Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A.

Enzymatic activity of Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A.

All present enzymatic activity of Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A.:
3.5.3.1;

Protein crystallography data

The structure of Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A., PDB code: 3mjl was solved by L.Di Costanzo, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.90
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 90.680, 90.680, 69.820, 90.00, 90.00, 120.00
R / Rfree (%) 16.8 / 17.6

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A. (pdb code 3mjl). 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 in Complex with 2- Aminoimidazole. Resolution 1.90 A., PDB code: 3mjl:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 3mjl

Go back to Manganese Binding Sites List in 3mjl
Manganese binding site 1 out of 4 in the Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A.


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 in Complex with 2- Aminoimidazole. Resolution 1.90 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn3314

b:20.3
occ:1.00
 OD1 A:ASP124 2.1 18.1 1.0
OD2 A:ASP234 2.2 19.2 1.0
O A:HOH9164 2.2 24.7 1.0
OD2 A:ASP232 2.2 18.9 1.0
ND1 A:HIS126 2.3 17.3 1.0
OD1 A:ASP234 2.4 19.9 1.0
CG A:ASP234 2.6 21.1 1.0
CE1 A:HIS126 3.1 19.6 1.0
CG A:ASP124 3.1 27.3 1.0
O A:HOH9109 3.1 24.6 1.0
CG A:ASP232 3.2 28.5 1.0
CG A:HIS126 3.3 19.6 1.0
MN A:MN3315 3.4 18.9 1.0
OD2 A:ASP124 3.4 17.4 1.0
OD1 A:ASP232 3.8 21.4 1.0
CB A:HIS126 3.8 16.6 1.0
N A:HIS126 3.9 12.9 1.0
O A:HOH9163 4.1 25.3 1.0
N A:ALA125 4.1 17.6 1.0
CB A:ASP234 4.1 19.2 1.0
OG1 A:THR246 4.1 27.2 1.0
NE2 A:HIS126 4.3 19.9 1.0
CB A:ASP232 4.3 28.7 1.0
NT A:2AI5001 4.3 74.7 1.0
CD2 A:HIS126 4.4 13.9 1.0
CB A:ASP124 4.4 26.9 1.0
CA A:HIS126 4.5 13.6 1.0
CB A:ALA125 4.5 15.3 1.0
O A:HOH9097 4.7 18.0 1.0
CA A:ALA125 4.7 13.9 1.0
OD1 A:ASP128 4.7 11.3 1.0
C A:ALA125 4.7 7.4 1.0
OD2 A:ASP128 4.8 19.8 1.0
CA A:ASP124 4.8 19.2 1.0
CE1 A:2AI5001 4.8 44.2 1.0
NE2 A:2AI5001 4.9 36.8 1.0
C A:ASP124 4.9 20.0 1.0

Manganese binding site 2 out of 4 in 3mjl

Go back to Manganese Binding Sites List in 3mjl
Manganese binding site 2 out of 4 in the Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A.


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 in Complex with 2- Aminoimidazole. Resolution 1.90 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn3315

b:18.9
occ:1.00
 OD2 A:ASP124 2.1 17.4 1.0
O A:HOH9164 2.1 24.7 1.0
OD2 A:ASP128 2.1 19.8 1.0
ND1 A:HIS101 2.2 18.0 1.0
OD2 A:ASP232 2.3 18.9 1.0
O A:HOH9163 2.4 25.3 1.0
CG A:ASP124 3.1 27.3 1.0
CG A:ASP128 3.1 10.4 1.0
CE1 A:HIS101 3.2 20.9 1.0
CG A:HIS101 3.2 15.0 1.0
CG A:ASP232 3.2 28.5 1.0
MN A:MN3314 3.4 20.3 1.0
OD1 A:ASP124 3.4 18.1 1.0
CB A:HIS101 3.5 17.8 1.0
CB A:ASP232 3.5 28.7 1.0
OD1 A:ASP128 3.5 11.3 1.0
O A:HOH9109 4.0 24.6 1.0
O A:HIS141 4.2 19.4 1.0
NE2 A:HIS101 4.3 16.5 1.0
OD1 A:ASP232 4.3 21.4 1.0
CD2 A:HIS101 4.3 18.1 1.0
NE1 A:TRP122 4.4 21.7 1.0
CB A:ASP124 4.4 26.9 1.0
CB A:ASP128 4.5 18.1 1.0
OE2 A:GLU277 4.6 17.6 1.0
CZ2 A:TRP122 4.7 18.9 1.0
CG A:GLU277 4.7 17.4 1.0
CE2 A:TRP122 4.9 17.1 1.0
OD2 A:ASP234 5.0 19.2 1.0
CA A:ASP232 5.0 25.6 1.0

Manganese binding site 3 out of 4 in 3mjl

Go back to Manganese Binding Sites List in 3mjl
Manganese binding site 3 out of 4 in the Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A.


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 in Complex with 2- Aminoimidazole. Resolution 1.90 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn4314

b:21.9
occ:1.00
 O B:HOH9161 2.0 25.9 1.0
OD1 B:ASP234 2.1 21.4 1.0
OD2 B:ASP232 2.1 18.0 1.0
ND1 B:HIS126 2.2 25.5 1.0
OD2 B:ASP234 2.3 20.2 1.0
OD1 B:ASP124 2.3 23.8 1.0
CG B:ASP234 2.5 31.9 1.0
O B:HOH9110 2.7 34.3 1.0
CG B:ASP232 3.1 22.3 1.0
CE1 B:HIS126 3.1 13.7 1.0
CG B:ASP124 3.2 23.3 1.0
MN B:MN4315 3.3 27.4 1.0
CG B:HIS126 3.3 31.0 1.0
OD2 B:ASP124 3.4 16.4 1.0
OD1 B:ASP232 3.7 23.8 1.0
CB B:HIS126 3.8 11.9 1.0
O B:HOH9162 3.8 21.6 1.0
CB B:ASP234 4.0 29.2 1.0
N B:HIS126 4.1 15.8 1.0
CB B:ASP232 4.1 21.7 1.0
OG1 B:THR246 4.2 37.8 1.0
N B:ALA125 4.3 23.7 1.0
NE2 B:HIS126 4.3 21.4 1.0
NT B:2AI5000 4.4 42.4 1.0
CD2 B:HIS126 4.4 32.6 1.0
OD1 B:ASP128 4.5 15.2 1.0
CB B:ASP124 4.5 22.0 1.0
O B:HOH9130 4.5 22.9 1.0
CA B:HIS126 4.6 20.2 1.0
OD2 B:ASP128 4.6 19.7 1.0
CA B:ASP124 4.8 15.9 1.0
O B:THR246 4.9 39.5 1.0
C B:ALA125 4.9 2.1 1.0
CB B:ALA125 4.9 15.4 1.0
CA B:ALA125 4.9 11.3 1.0
C B:ASP124 5.0 24.4 1.0

Manganese binding site 4 out of 4 in 3mjl

Go back to Manganese Binding Sites List in 3mjl
Manganese binding site 4 out of 4 in the Crystal Structure of Human Arginase I in Complex with 2- Aminoimidazole. Resolution 1.90 A.


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 in Complex with 2- Aminoimidazole. Resolution 1.90 A. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn4315

b:27.4
occ:1.00
 OD2 B:ASP128 2.1 19.7 1.0
OD2 B:ASP124 2.1 16.4 1.0
O B:HOH9161 2.1 25.9 1.0
ND1 B:HIS101 2.2 22.9 1.0
OD2 B:ASP232 2.4 18.0 1.0
O B:HOH9162 2.4 21.6 1.0
CG B:ASP128 3.1 19.6 1.0
CG B:ASP124 3.1 23.3 1.0
CG B:HIS101 3.1 33.1 1.0
CE1 B:HIS101 3.2 14.7 1.0
CG B:ASP232 3.3 22.3 1.0
MN B:MN4314 3.3 21.9 1.0
CB B:HIS101 3.4 36.1 1.0
OD1 B:ASP128 3.5 15.2 1.0
OD1 B:ASP124 3.6 23.8 1.0
CB B:ASP232 3.6 21.7 1.0
O B:HOH9110 3.9 34.3 1.0
CD2 B:HIS101 4.3 34.1 1.0
NE2 B:HIS101 4.3 19.0 1.0
O B:HIS141 4.3 31.2 1.0
OD1 B:ASP232 4.4 23.8 1.0
CB B:ASP128 4.4 26.4 1.0
NE1 B:TRP122 4.4 21.3 1.0
CB B:ASP124 4.4 22.0 1.0
OE2 B:GLU277 4.6 25.1 1.0
CG B:GLU277 4.7 17.4 1.0
CZ2 B:TRP122 4.7 18.4 1.0
OD1 B:ASP234 4.9 21.4 1.0
CE2 B:TRP122 4.9 23.5 1.0
CA B:HIS101 4.9 31.0 1.0
OD2 B:ASP234 5.0 20.2 1.0
CA B:ASP232 5.0 21.8 1.0

Reference:

M.Ilies, L.Di Costanzo, M.L.North, J.A.Scott, D.W.Christianson. Crystal Structure of Human Arginase I in Complex with 2-Aminoimidazole. Resolution 1.90 A. To Be Published.
Page generated: Sat Oct 5 17:07:42 2024

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