Calcium in PDB 8u5o: The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC

All present enzymatic activity of The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC:
3.2.1.18;

The structure of The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC, PDB code: 8u5o was solved by B.J.Medley, K.E.Low, J.M.Garber, T.E.Gray, L.Liu, L.Klassen, O.B.Fordwour, G.D.Inglis, G.J.Boons, W.F.Zandberg, W.D.Abbott, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.88 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.27, 72.305, 97.137, 90, 90, 90
R / Rfree (%)	15.4 / 17.8

The binding sites of Calcium atom in the The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC (pdb code 8u5o). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC, PDB code: 8u5o:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1702 b:12.4 occ:1.00 OD1 A:ASP1319 2.3 13.1 1.0 OD1 A:ASP1296 2.3 12.4 1.0 OD1 A:ASP1298 2.4 12.9 1.0 O A:TYR1320 2.4 12.6 1.0 O A:HOH2030 2.5 14.2 1.0 O A:HOH1843 2.5 15.8 1.0 O A:HOH1915 2.5 10.8 1.0 CG A:ASP1296 3.3 12.9 1.0 CG A:ASP1319 3.4 14.4 1.0 CG A:ASP1298 3.4 11.5 1.0 C A:TYR1320 3.5 11.8 1.0 N A:TYR1320 3.7 11.4 1.0 OD2 A:ASP1296 3.7 12.7 1.0 OD2 A:ASP1298 3.8 14.4 1.0 CA A:ASP1319 4.1 12.6 1.0 C A:ASP1319 4.1 14.7 1.0 OD2 A:ASP1319 4.1 17.4 1.0 CA A:TYR1320 4.2 10.5 1.0 O A:HOH1993 4.3 21.4 1.0 O A:HOH2128 4.3 25.1 1.0 O A:SER1324 4.3 15.3 1.0 CB A:ASP1319 4.3 14.0 1.0 O1 A:NO31706 4.5 19.1 1.0 O A:ILE1297 4.5 11.4 1.0 N A:PRO1321 4.5 11.5 1.0 O2 A:NO31706 4.6 26.4 1.0 CB A:ASP1296 4.6 13.6 1.0 CA A:PRO1321 4.7 11.5 1.0 CB A:ASP1298 4.8 10.2 1.0 C A:ILE1297 4.8 12.0 1.0 C A:ASP1296 4.8 9.1 1.0 N A:ILE1297 4.9 10.3 1.0

Calcium binding site 2 out of 2 in the The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of the Catalytic Domain of Nani Sialdase in Complex with NEU5GC within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1703 b:15.7 occ:1.00 O A:ASP1515 2.6 12.2 1.0 O A:TRP1573 2.6 13.2 1.0 O A:HOH2005 2.6 13.4 1.0 O A:HOH1979 2.7 17.8 1.0 O A:HOH2288 2.8 24.0 1.0 O A:HOH1987 2.8 12.3 1.0 C A:TRP1573 3.7 10.3 1.0 C A:ASP1515 3.8 12.0 1.0 O A:ASN1516 4.1 14.6 1.0 CB A:ASN1516 4.1 12.9 1.0 OE1 A:GLU1511 4.2 14.0 1.0 C A:ASN1516 4.2 13.2 1.0 N A:TRP1573 4.2 12.2 1.0 C A:ASP1574 4.3 12.1 1.0 O A:ASP1574 4.4 11.9 1.0 N A:GLU1575 4.4 11.7 1.0 CA A:GLU1575 4.4 12.0 1.0 O A:HOH2351 4.4 33.8 1.0 CA A:TRP1573 4.4 12.9 1.0 CA A:ASN1516 4.5 11.0 1.0 N A:ASN1516 4.6 11.4 1.0 N A:ARG1517 4.7 10.4 1.0 O A:SER1512 4.7 10.1 1.0 CB A:TRP1573 4.7 11.4 1.0 ND2 A:ASN1516 4.7 18.9 1.0 N A:ASP1574 4.7 10.2 1.0 O A:PRO1513 4.8 11.7 1.0 CA A:ASP1515 4.8 11.9 1.0 CA A:ASP1574 4.9 11.9 1.0 O A:HOH2344 4.9 28.1 1.0 CB A:GLU1575 5.0 12.3 1.0 CB A:ASP1515 5.0 11.2 1.0 CG A:ASN1516 5.0 14.7 1.0

B.J.Medley, K.E.Low, J.M.Garber, T.E.Gray, L.Liu, O.B.Fordwour, G.D.Inglis, W.F.Zandberg, D.W.Abbott, A.B.Boraston. A Terminal Case of Glycan Catabolism Structural and Enzymatic Characterization of the Sialidases of Clostridium Perfringens To Be Published.