Manganese in PDB 1qny: X-Ray Refinement of D2O Soaked Crystal of Concanavalin A

The structure of X-Ray Refinement of D2O Soaked Crystal of Concanavalin A, PDB code: 1qny was solved by J.Habash, J.Raftery, R.Nuttall, H.J.Price, M.S.Lehmann, C.Wilkinson, A.J.Kalb(Gilboa), J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.7 / 1.8
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.110, 87.580, 63.260, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.8

The structure of X-Ray Refinement of D2O Soaked Crystal of Concanavalin A also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Manganese atom in the X-Ray Refinement of D2O Soaked Crystal of Concanavalin A (pdb code 1qny). 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 X-Ray Refinement of D2O Soaked Crystal of Concanavalin A, PDB code: 1qny:

Manganese binding site 1 out of 1 in the X-Ray Refinement of D2O Soaked Crystal of Concanavalin A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Refinement of D2O Soaked Crystal of Concanavalin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:10.7 occ:1.00 OD2 A:ASP10 2.2 8.0 1.0 OE2 A:GLU8 2.2 10.8 1.0 O A:HOH2147 2.2 13.0 1.0 OD1 A:ASP19 2.2 12.5 1.0 NE2 A:HIS24 2.3 11.6 1.0 O A:HOH2148 2.3 9.8 1.0 CG A:ASP19 3.1 13.8 1.0 CG A:ASP10 3.2 9.9 1.0 CE1 A:HIS24 3.2 11.9 1.0 CD A:GLU8 3.2 11.9 1.0 CD2 A:HIS24 3.3 10.4 1.0 CB A:ASP10 3.5 9.5 1.0 OD2 A:ASP19 3.6 13.4 1.0 OE1 A:GLU8 3.6 12.5 1.0 O A:HOH2142 4.0 13.3 1.0 O A:HOH2007 4.1 34.8 1.0 OG A:SER34 4.2 11.8 1.0 CA A:CA302 4.2 10.0 1.0 OD1 A:ASP10 4.3 10.8 1.0 CB A:ASP19 4.3 12.8 1.0 ND1 A:HIS24 4.4 12.3 1.0 CG A:HIS24 4.5 11.3 1.0 CG A:GLU8 4.6 10.1 1.0 O A:HOH2008 4.6 45.3 1.0 CA A:ASP19 4.6 15.4 1.0 O A:VAL32 4.6 14.0 1.0

J.Habash, J.Raftery, R.Nuttall, H.J.Price, M.S.Lehmann, C.Wilkinson, A.J.Kalb(Gilboa), J.R.Helliwell. Direct Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin A By Neutron Laue Crystallography Acta Crystallogr.,Sect.D V. 56 541 2000.
ISSN: ISSN 0907-4449
PubMed: 10771422
DOI: 10.1107/S0907444900002353