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Manganese in PDB 3sl0: Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid

Enzymatic activity of Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid

All present enzymatic activity of Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid:
3.5.3.1;

Protein crystallography data

The structure of Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid, PDB code: 3sl0 was solved by D.P.Dowling, M.Ilies, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.24 / 2.00
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 112.959, 112.959, 229.760, 90.00, 90.00, 120.00
R / Rfree (%) 16.7 / 18.2

Other elements in 3sl0:

The structure of Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid (pdb code 3sl0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid, PDB code: 3sl0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3sl0

Go back to Manganese Binding Sites List in 3sl0
Manganese binding site 1 out of 2 in the Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid


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 P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn412

b:22.2
occ:1.00
 OD2 A:ASP216 2.2 17.2 1.0
OD2 A:ASP323 2.3 20.6 1.0
O1 A:FB5414 2.3 28.9 1.0
ND1 A:HIS218 2.3 22.4 1.0
OD2 A:ASP325 2.3 23.0 1.0
OD1 A:ASP325 2.5 23.8 1.0
CG A:ASP325 2.7 25.6 1.0
B1 A:FB5414 2.8 44.8 1.0
O2 A:FB5414 2.8 40.0 1.0
CE1 A:HIS218 3.1 23.5 1.0
CG A:ASP323 3.1 21.8 1.0
CG A:ASP216 3.2 21.0 1.0
MN A:MN413 3.3 21.9 1.0
CG A:HIS218 3.4 22.8 1.0
OD1 A:ASP216 3.4 20.0 1.0
OD1 A:ASP323 3.7 19.3 1.0
CB A:HIS218 3.8 22.7 1.0
N A:HIS218 4.0 19.5 1.0
O A:HOH598 4.0 23.3 1.0
CB A:ASP323 4.2 17.0 1.0
N A:ALA217 4.2 19.0 1.0
C5 A:FB5414 4.2 47.7 1.0
CB A:ASP325 4.2 22.0 1.0
NE2 A:HIS218 4.3 26.1 1.0
CD2 A:HIS218 4.4 24.2 1.0
CB A:ASP216 4.5 15.6 1.0
CA A:HIS218 4.5 23.4 1.0
OD1 A:ASP220 4.6 24.2 1.0
C4 A:FB5414 4.6 45.7 1.0
CB A:ALA217 4.7 20.4 1.0
O A:HOH416 4.8 20.7 1.0
OD2 A:ASP220 4.8 23.5 1.0
CA A:ALA217 4.8 16.8 1.0
CA A:ASP216 4.8 22.2 1.0
C A:ALA217 4.8 20.3 1.0
C A:ASP216 4.9 24.9 1.0

Manganese binding site 2 out of 2 in 3sl0

Go back to Manganese Binding Sites List in 3sl0
Manganese binding site 2 out of 2 in the Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid


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 P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn413

b:21.9
occ:1.00
 OD1 A:ASP216 2.2 20.0 1.0
OD2 A:ASP220 2.2 23.5 1.0
ND1 A:HIS193 2.2 19.3 1.0
O1 A:FB5414 2.3 28.9 1.0
OD2 A:ASP323 2.4 20.6 1.0
O A:HOH598 2.4 23.3 1.0
CG A:ASP220 3.2 27.6 1.0
CE1 A:HIS193 3.2 20.8 1.0
B1 A:FB5414 3.2 44.8 1.0
CG A:ASP216 3.2 21.0 1.0
CG A:HIS193 3.2 21.9 1.0
CG A:ASP323 3.3 21.8 1.0
MN A:MN412 3.3 22.2 1.0
OD1 A:ASP220 3.4 24.2 1.0
CB A:HIS193 3.5 22.9 1.0
OD2 A:ASP216 3.5 17.2 1.0
CB A:ASP323 3.6 17.0 1.0
O2 A:FB5414 3.6 40.0 1.0
NE2 A:HIS193 4.3 20.8 1.0
CD2 A:HIS193 4.3 19.6 1.0
C5 A:FB5414 4.4 47.7 1.0
OD1 A:ASP323 4.4 19.3 1.0
NE1 A:TRP214 4.5 21.3 1.0
CB A:ASP216 4.5 15.6 1.0
CB A:ASP220 4.5 23.6 1.0
CZ2 A:TRP214 4.6 19.6 1.0
O A:HIS233 4.6 32.6 1.0
CG A:GLU368 4.7 24.1 1.0
OE2 A:GLU368 4.8 27.4 1.0
CE2 A:TRP214 4.9 22.2 1.0
CA A:HIS193 4.9 23.1 1.0
CA A:ASP323 5.0 22.1 1.0

Reference:

M.Ilies, L.Di Costanzo, D.P.Dowling, K.J.Thorn, D.W.Christianson. Binding of Alpha,Alpha-Disubstituted Amino Acids to Arginase Suggests New Avenues For Inhibitor Design J.Med.Chem. 2011.
ISSN: ISSN 0022-2623
PubMed: 21728378
DOI: 10.1021/JM200443B
Page generated: Sat Oct 5 17:53:52 2024

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