Manganese in PDB 4ra2: PP2CA

All present enzymatic activity of PP2CA:
3.1.3.16;

The structure of PP2CA, PDB code: 4ra2 was solved by C.Pan, J.Y.Tang, Y.F.Xu, P.Xiao, H.D.Liu, H.A.Wang, W.B.Wang, F.G.Meng, X.Yu, J.P.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.81 / 1.94
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.714, 90.714, 105.443, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22.4

The binding sites of Manganese atom in the PP2CA (pdb code 4ra2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the PP2CA, PDB code: 4ra2:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the PP2CA


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of PP2CA within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:27.3 occ:1.00 OD2 A:ASP282 2.2 24.9 1.0 OD2 A:ASP60 2.2 23.4 1.0 O A:HOH505 2.3 29.1 1.0 OD1 A:ASP239 2.3 21.4 1.0 O A:HOH522 2.4 27.9 1.0 O A:HOH507 2.4 28.2 1.0 CG A:ASP60 3.1 26.9 1.0 CG A:ASP282 3.1 26.2 1.0 CG A:ASP239 3.2 25.6 1.0 OD1 A:ASP60 3.3 21.4 1.0 OD1 A:ASP282 3.5 26.6 1.0 OD2 A:ASP239 3.5 25.3 1.0 MN A:MN402 3.8 35.0 1.0 O1 A:PO4403 3.9 53.5 1.0 O A:HOH512 4.0 29.1 1.0 O A:HOH528 4.0 31.5 1.0 O A:HOH504 4.2 23.7 1.0 O A:HOH532 4.3 30.8 1.0 N A:GLY240 4.3 21.1 1.0 CB A:ASP282 4.4 23.6 1.0 CB A:ASP60 4.5 24.1 1.0 CB A:ASP239 4.6 22.1 1.0 N A:ASP239 4.6 18.5 1.0 O A:ASN283 4.7 21.7 1.0 O A:HOH511 4.7 26.9 1.0 CB A:CYS238 4.8 20.6 1.0 SG A:CYS238 4.8 25.9 1.0 OD1 A:ASP38 4.8 28.0 1.0 C A:ASP239 4.9 21.4 1.0 CA A:ASP239 4.9 20.5 1.0

Manganese binding site 2 out of 2 in the PP2CA


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of PP2CA within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:35.0 occ:1.00 O A:HOH505 2.2 29.1 1.0 O A:HOH512 2.3 29.1 1.0 OD1 A:ASP60 2.3 21.4 1.0 O A:HOH547 2.3 31.4 1.0 O A:GLY61 2.3 24.7 1.0 O A:HOH511 2.3 26.9 1.0 CG A:ASP60 3.4 26.9 1.0 C A:GLY61 3.5 25.0 1.0 MN A:MN401 3.8 27.3 1.0 OD2 A:ASP60 4.0 23.4 1.0 O3 A:PO4403 4.0 61.0 1.0 N A:GLY61 4.0 23.9 1.0 O A:HOH509 4.1 26.9 1.0 O A:HOH522 4.1 27.9 1.0 C A:ASP60 4.2 25.3 1.0 O A:HOH629 4.2 39.0 1.0 OD1 A:ASP38 4.3 28.0 1.0 OE1 A:GLU37 4.3 30.1 1.0 CB A:GLU37 4.3 29.6 1.0 N A:HIS62 4.4 27.1 1.0 CA A:GLY61 4.4 22.5 1.0 O4 A:PO4403 4.4 55.1 1.0 CA A:HIS62 4.4 28.1 1.0 OD1 A:ASN283 4.5 22.4 1.0 O A:ASP60 4.5 22.1 1.0 O A:HOH507 4.5 28.2 1.0 O1 A:PO4403 4.6 53.5 1.0 P A:PO4403 4.6 51.4 1.0 OD1 A:ASP282 4.6 26.6 1.0 CB A:ASP60 4.6 24.1 1.0 O A:HOH553 4.6 29.6 1.0 CA A:ASP60 4.6 22.5 1.0 CB A:HIS62 4.7 29.7 1.0 C A:GLU37 4.9 27.8 1.0 O A:GLU37 4.9 26.7 1.0

C.Pan, J.Y.Tang, Y.F.Xu, P.Xiao, H.D.Liu, H.A.Wang, W.B.Wang, F.G.Meng, X.Yu, J.P.Sun. The Catalytic Role of the M2 Metal Ion in PP2CA Sci Rep 2015.
ISSN: ESSN 2045-2322