Calcium in PDB 4x49: Crystal Structure of the Intramolecular Trans-Sialidase From Ruminococcus Gnavus in Complex with Oseltamivir Carboxylate

The structure of Crystal Structure of the Intramolecular Trans-Sialidase From Ruminococcus Gnavus in Complex with Oseltamivir Carboxylate, PDB code: 4x49 was solved by C.D.Owen, L.E.Tailford, G.L.Taylor, N.Juge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.88 / 2.01
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	101.097, 101.097, 131.537, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 24.5

The binding sites of Calcium atom in the Crystal Structure of the Intramolecular Trans-Sialidase From Ruminococcus Gnavus in Complex with Oseltamivir Carboxylate (pdb code 4x49). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Intramolecular Trans-Sialidase From Ruminococcus Gnavus in Complex with Oseltamivir Carboxylate, PDB code: 4x49:

Calcium binding site 1 out of 1 in the Crystal Structure of the Intramolecular Trans-Sialidase From Ruminococcus Gnavus in Complex with Oseltamivir Carboxylate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Intramolecular Trans-Sialidase From Ruminococcus Gnavus in Complex with Oseltamivir Carboxylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:34.0 occ:1.00 O3 A:GOL806 2.3 36.4 1.0 O A:HOH1232 2.4 36.6 1.0 O A:HOH1047 2.5 31.0 1.0 O A:HOH1160 2.5 38.5 1.0 O A:ALA517 2.5 36.8 1.0 O1 A:GOL806 2.6 32.5 1.0 O A:HOH901 2.9 74.3 1.0 C3 A:GOL806 3.1 42.5 1.0 C1 A:GOL806 3.7 38.2 1.0 C A:ALA517 3.7 33.9 1.0 C2 A:GOL806 4.0 41.7 1.0 OE2 A:GLU347 4.2 25.4 1.0 CA A:GLY518 4.4 33.0 1.0 OE1 A:GLU347 4.5 33.3 1.0 O A:HOH1044 4.5 32.3 1.0 N A:GLY518 4.5 29.1 1.0 O A:HOH964 4.5 36.2 1.0 O A:GLU515 4.7 40.4 1.0 CA A:ALA517 4.8 37.4 1.0 N A:ALA517 4.8 35.2 1.0 CD A:GLU347 4.8 30.0 1.0 C A:HIS516 4.9 39.1 1.0 O A:HOH1179 4.9 37.4 1.0 CB A:ALA517 5.0 37.0 1.0 C A:GLY518 5.0 28.3 1.0 O A:HOH1127 5.0 30.7 1.0

L.E.Tailford, C.D.Owen, J.Walshaw, E.H.Crost, J.Hardy-Goddard, G.Le Gall, W.M.De Vos, G.L.Taylor, N.Juge. Discovery of Intramolecular Trans-Sialidases in Human Gut Microbiota Suggests Novel Mechanisms of Mucosal Adaptation. Nat Commun V. 6 7624 2015.
ISSN: ESSN 2041-1723
PubMed: 26154892
DOI: 10.1038/NCOMMS8624