Manganese in PDB 8szo: Canavalia Villosa Lectin in Complex with Alpha-Methyl-Mannoside

The structure of Canavalia Villosa Lectin in Complex with Alpha-Methyl-Mannoside, PDB code: 8szo was solved by B.S.Cavada, C.F.Lossio, V.R.Pinto-Junior, V.J.S.Osterne, M.V.Oliveira, A.H.B.Neco, K.S.Nascimento, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.48 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.49, 84.44, 89.07, 90, 90, 90
R / Rfree (%)	18.1 / 24.9

The structure of Canavalia Villosa Lectin in Complex with Alpha-Methyl-Mannoside also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Manganese atom in the Canavalia Villosa Lectin in Complex with Alpha-Methyl-Mannoside (pdb code 8szo). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Canavalia Villosa Lectin in Complex with Alpha-Methyl-Mannoside, PDB code: 8szo:

Manganese binding site 1 out of 1 in the Canavalia Villosa Lectin in Complex with Alpha-Methyl-Mannoside


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Canavalia Villosa Lectin in Complex with Alpha-Methyl-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:53.9 occ:1.00 OD2 A:ASP10 2.1 47.6 1.0 NE2 A:HIS24 2.2 49.4 1.0 OD1 A:ASP19 2.3 51.4 1.0 O A:HOH417 2.3 42.2 1.0 OE2 A:GLU8 2.4 45.2 1.0 O A:HOH465 2.4 44.9 1.0 CE1 A:HIS24 3.0 42.9 1.0 CG A:ASP10 3.1 48.5 1.0 CG A:ASP19 3.2 54.0 1.0 CD A:GLU8 3.3 40.0 1.0 CD2 A:HIS24 3.4 43.4 1.0 CB A:ASP10 3.5 45.2 1.0 OD2 A:ASP19 3.5 56.3 1.0 OE1 A:GLU8 3.6 41.0 1.0 O A:HOH463 3.8 54.0 1.0 O A:HOH408 3.9 52.2 1.0 CA A:CA302 4.0 51.8 1.0 OG A:SER34 4.1 38.9 1.0 OD1 A:ASP10 4.2 44.2 1.0 ND1 A:HIS24 4.2 41.4 1.0 CG A:HIS24 4.4 42.8 1.0 CB A:ASP19 4.4 59.9 1.0 CG A:GLU8 4.7 36.0 1.0 CA A:ASP19 4.7 57.2 1.0 O A:ILE32 4.9 48.4 1.0 CA A:ASP10 5.0 46.8 1.0

C.F.Lossio, C.G.Moreira, R.M.F.Amorim, C.S.Nobre, M.T.L.Silva, C.C.Neto, V.R.Pinto-Junior, I.B.Silva, J.Campos, A.M.S.Assreuy, B.S.Cavada, K.S.Nascimento. Lectin From Canavalia Villosa Seeds: A Glucose/Mannose-Specific Protein and A New Tool For Inflammation Studies. Int J Biol Macromol V. 105 272 2017.
ISSN: ISSN 1879-0003
PubMed: 28693997
DOI: 10.1016/J.IJBIOMAC.2017.07.038