Calcium in PDB 5i0e: Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose

The structure of Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose, PDB code: 5i0e was solved by S.H.Light, G.Minasov, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	194.634, 103.382, 44.087, 90.00, 91.32, 90.00
R / Rfree (%)	17.4 / 22.1

The binding sites of Calcium atom in the Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose (pdb code 5i0e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose, PDB code: 5i0e:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca803 b:73.6 occ:1.00 OD1 B:ASP396 2.7 60.7 1.0 OD2 B:ASP396 3.4 61.0 1.0 CG B:ASP396 3.5 60.4 1.0 OD2 B:ASP397 4.8 64.1 1.0 CB B:ASP396 4.9 59.2 1.0

Calcium binding site 2 out of 3 in the Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca804 b:57.5 occ:1.00 O B:HOH905 2.3 42.5 1.0 O B:HOH1088 2.4 37.3 1.0 OD1 B:ASN349 2.5 48.9 1.0 CG B:ASN349 3.5 46.8 1.0 ND2 B:ASN349 3.9 46.1 1.0 OD2 B:ASP358 4.1 42.3 1.0 CG B:ASP358 4.4 42.1 1.0 OD1 B:ASP358 4.4 43.9 1.0 O B:VAL347 4.6 42.6 1.0 O B:HOH1023 4.7 35.0 1.0 ND1 B:HIS354 4.9 42.0 1.0 CB B:ASN349 4.9 45.8 1.0

Calcium binding site 3 out of 3 in the Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Cycloalternan-Degrading Enzyme From Trueperella Pyogenes in Complex with Isomaltose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca805 b:75.8 occ:1.00 OE1 B:GLU379 2.2 51.3 1.0 CD B:GLU379 3.4 49.0 1.0 OE2 B:GLU379 3.9 49.2 1.0 CG B:GLU379 4.6 47.5 1.0

S.H.Light, L.A.Cahoon, K.V.Mahasenan, M.Lee, B.Boggess, A.S.Halavaty, S.Mobashery, N.E.Freitag, W.F.Anderson. Transferase Versus Hydrolase: the Role of Conformational Flexibility in Reaction Specificity. Structure V. 25 295 2017.
ISSN: ISSN 1878-4186
PubMed: 28089449
DOI: 10.1016/J.STR.2016.12.007