Calcium in PDB 4cub: Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa

All present enzymatic activity of Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa:
3.2.1.23;

The structure of Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa, PDB code: 4cub was solved by A.K.Singh, B.Pluvinage, M.A.Higgins, A.B.Dalia, M.Flynn, A.R.Lloyd, J.N.Weiser, K.A.Stubbs, A.B.Boraston, S.J.King, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.62 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.530, 70.530, 161.560, 90.00, 90.00, 90.00
R / Rfree (%)	18.953 / 24.718

The binding sites of Calcium atom in the Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa (pdb code 4cub). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa, PDB code: 4cub:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2645 b:15.6 occ:1.00 O A:LEU1500 2.2 20.3 1.0 O A:ASN1495 2.3 14.9 1.0 O A:THR1636 2.3 13.6 1.0 OE1 A:GLU1637 2.4 15.2 1.0 OD1 A:ASN1509 2.4 14.8 1.0 OD1 A:ASP1498 2.5 17.0 1.0 C A:LEU1500 3.3 19.5 1.0 C A:ASN1495 3.4 14.4 1.0 CG A:ASP1498 3.5 17.4 1.0 C A:THR1636 3.5 13.8 1.0 CG A:ASN1509 3.5 15.1 1.0 CD A:GLU1637 3.5 15.2 1.0 OD2 A:ASP1498 3.9 17.9 1.0 N A:LEU1500 3.9 20.4 1.0 CA A:LEU1500 4.0 20.4 1.0 CB A:GLU1637 4.0 14.8 1.0 ND2 A:ASN1509 4.0 14.9 1.0 OG1 A:THR1636 4.1 15.1 1.0 CA A:GLU1637 4.2 14.4 1.0 CB A:LEU1500 4.2 21.3 1.0 CA A:VAL1496 4.2 14.1 1.0 N A:VAL1496 4.2 14.1 1.0 N A:GLU1637 4.3 13.9 1.0 CG A:GLU1637 4.3 15.1 1.0 N A:ASP1498 4.4 15.4 1.0 C A:VAL1496 4.4 14.9 1.0 OE2 A:GLU1637 4.4 16.9 1.0 CA A:ASN1495 4.4 14.5 1.0 N A:ILE1501 4.5 17.3 1.0 CA A:THR1636 4.6 14.0 1.0 N A:LYS1499 4.7 18.3 1.0 CB A:ASP1498 4.7 17.3 1.0 O A:VAL1496 4.7 15.1 1.0 N A:ASN1497 4.8 14.7 1.0 CB A:ASN1509 4.8 15.1 1.0 CB A:ASN1495 4.8 14.7 1.0 CA A:ILE1501 4.8 18.0 1.0 O A:ASN1509 4.8 16.5 1.0 CA A:ASP1498 4.9 16.6 1.0 C A:LYS1499 4.9 20.9 1.0 C A:ASP1498 4.9 18.0 1.0 CB A:THR1636 5.0 13.7 1.0

Calcium binding site 2 out of 2 in the Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2645 b:19.5 occ:1.00 OE1 B:GLU1637 2.2 14.4 1.0 O B:THR1636 2.2 18.4 1.0 O B:LEU1500 2.2 20.9 0.5 O B:LEU1500 2.2 20.8 0.5 O B:ASN1495 2.3 17.6 1.0 OD1 B:ASN1509 2.4 19.4 1.0 OD1 B:ASP1498 2.5 18.7 1.0 C B:LEU1500 3.4 21.5 0.5 C B:LEU1500 3.4 21.4 0.5 CD B:GLU1637 3.4 16.1 1.0 C B:THR1636 3.4 17.2 1.0 CG B:ASN1509 3.5 20.1 1.0 CG B:ASP1498 3.5 19.6 1.0 C B:ASN1495 3.5 17.8 1.0 OG1 B:THR1636 3.8 17.8 1.0 OD2 B:ASP1498 3.9 22.0 1.0 CB B:GLU1637 3.9 15.6 1.0 N B:LEU1500 4.0 22.2 0.5 N B:LEU1500 4.0 22.3 0.5 ND2 B:ASN1509 4.0 20.9 1.0 CA B:LEU1500 4.1 22.2 0.5 CA B:LEU1500 4.1 22.0 0.5 CA B:GLU1637 4.1 16.0 1.0 CB B:LEU1500 4.2 23.0 0.5 N B:GLU1637 4.2 15.8 1.0 CG B:GLU1637 4.3 15.6 1.0 CB B:LEU1500 4.3 22.7 0.5 CA B:VAL1496 4.3 16.8 1.0 OE2 B:GLU1637 4.3 15.3 1.0 N B:VAL1496 4.4 17.1 1.0 N B:ASP1498 4.4 18.8 1.0 C B:VAL1496 4.5 17.0 1.0 CA B:THR1636 4.5 17.0 1.0 CA B:ASN1495 4.5 17.3 1.0 N B:ILE1501 4.5 20.9 1.0 N B:LYS1499 4.7 21.0 1.0 CA B:ILE1501 4.7 21.8 1.0 CB B:ASP1498 4.7 20.0 1.0 O B:ASN1509 4.7 20.9 1.0 CB B:ASN1509 4.8 19.8 1.0 CB B:THR1636 4.8 17.9 1.0 N B:ASN1497 4.8 17.0 1.0 O B:VAL1496 4.8 15.1 1.0 CB B:ASN1495 4.8 16.9 1.0 CA B:ASP1498 4.9 20.5 1.0 C B:LYS1499 5.0 22.6 1.0 C B:ASP1498 5.0 21.4 1.0

A.K.Singh, B.Pluvinage, M.A.Higgins, A.B.Dalia, S.A.Woodiga, M.Flynn, A.R.Lloyd, J.N.Weiser, K.A.Stubbs, A.B.Boraston, S.J.King. Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa. Plos Pathog. V. 10 04364 2014.
ISSN: ISSN 1553-7366
PubMed: 25210925
DOI: 10.1371/JOURNAL.PPAT.1004364