Manganese in PDB 4rhm: Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D

All present enzymatic activity of Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D:
3.5.3.1;

The structure of Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D, PDB code: 4rhm was solved by Y.Hai, M.P.Barrett, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.88 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.123, 137.350, 87.778, 90.00, 102.28, 90.00
R / Rfree (%)	20.1 / 23.7

The binding sites of Manganese atom in the Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D (pdb code 4rhm). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D, PDB code: 4rhm:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D


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 T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:35.9 occ:1.00 OD1 A:ASP149 2.1 28.7 1.0 O A:HOH511 2.1 42.9 1.0 OD2 A:ASP226 2.2 35.0 1.0 OD2 A:ASP224 2.4 29.9 1.0 ND1 A:HIS151 2.5 33.8 1.0 OD1 A:ASP226 2.6 26.0 1.0 CG A:ASP226 2.8 27.7 1.0 CG A:ASP149 3.0 30.2 1.0 CG A:ASP224 3.2 29.9 1.0 CE1 A:HIS151 3.3 32.9 1.0 OD2 A:ASP149 3.3 36.7 1.0 CG A:HIS151 3.6 37.4 1.0 OD1 A:ASP224 3.9 31.4 1.0 O A:HOH510 3.9 52.2 1.0 CB A:HIS151 3.9 30.2 1.0 N A:HIS151 4.0 30.9 1.0 CB A:ASP224 4.0 31.9 1.0 N A:ALA150 4.1 27.6 1.0 CB A:ASP226 4.3 28.2 1.0 O A:HOH506 4.3 29.1 1.0 CB A:ASP149 4.4 30.1 1.0 NE2 A:HIS151 4.5 32.2 1.0 CA A:HIS151 4.5 33.9 1.0 CD2 A:HIS151 4.6 34.2 1.0 CB A:ALA150 4.7 27.4 1.0 CA A:ASP149 4.7 30.8 1.0 CA A:ALA150 4.7 34.3 1.0 C A:ALA150 4.8 37.6 1.0 C A:ASP149 4.8 33.0 1.0 O A:HIS151 4.9 33.1 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D


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 T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn402 b:34.5 occ:1.00 OD1 B:ASP149 2.0 26.3 1.0 OD2 B:ASP224 2.3 36.4 1.0 OD2 B:ASP226 2.3 28.8 1.0 O B:HOH513 2.3 44.2 1.0 ND1 B:HIS151 2.4 35.0 1.0 OD1 B:ASP226 2.6 25.7 1.0 CG B:ASP226 2.8 31.9 1.0 CG B:ASP149 3.0 36.6 1.0 CE1 B:HIS151 3.2 36.9 1.0 CG B:ASP224 3.2 39.2 1.0 OD2 B:ASP149 3.3 40.3 1.0 CG B:HIS151 3.6 40.1 1.0 O B:HOH512 3.8 63.0 1.0 OD1 B:ASP224 3.9 33.5 1.0 O B:HOH528 4.0 61.6 1.0 N B:HIS151 4.0 34.8 1.0 CB B:ASP224 4.0 35.8 1.0 CB B:HIS151 4.0 35.6 1.0 N B:ALA150 4.2 28.7 1.0 CB B:ASP226 4.3 29.2 1.0 NE2 B:HIS151 4.4 34.0 1.0 O B:HOH514 4.4 26.8 1.0 CB B:ASP149 4.4 32.8 1.0 CA B:HIS151 4.6 33.9 1.0 CD2 B:HIS151 4.6 35.5 1.0 CB B:ALA150 4.7 28.9 1.0 CA B:ASP149 4.7 27.3 1.0 O B:HIS151 4.8 32.0 1.0 CA B:ALA150 4.8 32.4 1.0 C B:ALA150 4.8 36.4 1.0 C B:ASP149 4.9 31.6 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D


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 T. Brucei Arginase-Like Protein Quadruple Mutant S149D/R151H/S153D/S226D within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn404 b:29.5 occ:1.00 OD2 C:ASP224 2.1 31.4 1.0 OD2 C:ASP226 2.1 25.6 1.0 O C:HOH516 2.2 64.9 1.0 OD1 C:ASP149 2.2 30.9 1.0 ND1 C:HIS151 2.4 37.1 1.0 OD1 C:ASP226 2.7 30.9 1.0 CG C:ASP226 2.7 34.3 1.0 CG C:ASP224 3.0 35.6 1.0 CG C:ASP149 3.1 33.9 1.0 CE1 C:HIS151 3.2 36.7 1.0 OD2 C:ASP149 3.3 38.4 1.0 CG C:HIS151 3.5 42.4 1.0 OD1 C:ASP224 3.7 34.6 1.0 CB C:HIS151 3.9 30.6 1.0 CB C:ASP224 4.0 32.5 1.0 N C:HIS151 4.0 38.2 1.0 CB C:ASP226 4.2 23.9 1.0 N C:ALA150 4.3 31.5 1.0 O C:HOH517 4.3 33.7 1.0 NE2 C:HIS151 4.4 37.6 1.0 CB C:ASP149 4.5 36.8 1.0 CD2 C:HIS151 4.6 29.1 1.0 CA C:HIS151 4.6 34.3 1.0 CB C:ALA150 4.7 31.1 1.0 CA C:ASP149 4.9 32.2 1.0 CA C:ALA150 4.9 35.3 1.0 C C:ALA150 4.9 35.6 1.0 O C:HIS151 4.9 35.3 1.0 C C:ASP149 5.0 36.2 1.0

Y.Hai, E.J.Kerkhoven, M.P.Barrett, D.W.Christianson. Crystal Structure of An Arginase-Like Protein From Trypanosoma Brucei That Evolved Without A Binuclear Manganese Cluster. Biochemistry V. 54 458 2015.
ISSN: ISSN 0006-2960
PubMed: 25536859
DOI: 10.1021/BI501366A