Calcium in PDB 4cua: 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: 4cua 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)	19.96 / 1.54
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.290, 70.290, 159.690, 90.00, 90.00, 90.00
R / Rfree (%)	16.085 / 18.893

The binding sites of Calcium atom in the Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa (pdb code 4cua). 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: 4cua:
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:Ca2644 b:7.4 occ:1.00 O A:ASN1495 2.3 8.2 1.0 OD1 A:ASN1509 2.3 9.0 1.0 O A:LEU1500 2.3 10.0 1.0 OE1 A:GLU1637 2.3 8.3 1.0 O A:THR1636 2.3 7.2 1.0 OD1 A:ASP1498 2.4 8.7 1.0 CG A:ASP1498 3.4 9.5 1.0 C A:LEU1500 3.4 10.6 1.0 CG A:ASN1509 3.4 8.9 1.0 CD A:GLU1637 3.5 8.7 1.0 C A:ASN1495 3.5 8.1 1.0 C A:THR1636 3.5 6.9 1.0 OD2 A:ASP1498 3.8 11.5 1.0 N A:LEU1500 3.9 10.4 1.0 ND2 A:ASN1509 4.0 10.8 1.0 CB A:GLU1637 4.0 7.8 1.0 OG1 A:THR1636 4.0 7.8 1.0 CA A:LEU1500 4.1 10.3 1.0 CA A:GLU1637 4.2 7.6 1.0 CA A:VAL1496 4.2 7.4 1.0 CB A:LEU1500 4.2 12.3 1.0 CG A:GLU1637 4.3 8.5 1.0 N A:GLU1637 4.3 7.7 1.0 N A:VAL1496 4.3 7.3 1.0 N A:ASP1498 4.3 8.6 1.0 OE2 A:GLU1637 4.4 8.9 1.0 C A:VAL1496 4.4 7.2 1.0 CA A:ASN1495 4.4 7.2 1.0 N A:ILE1501 4.5 9.0 1.0 CA A:THR1636 4.6 7.1 1.0 CB A:ASP1498 4.6 9.0 1.0 CB A:ASN1509 4.7 9.0 1.0 CB A:ASN1495 4.7 7.7 1.0 N A:LYS1499 4.7 9.4 1.0 N A:ASN1497 4.7 7.7 1.0 O A:ASN1509 4.7 9.1 1.0 CA A:ILE1501 4.7 9.9 1.0 O A:VAL1496 4.8 7.4 1.0 CA A:ASP1498 4.8 9.2 1.0 C A:ASP1498 4.9 9.3 1.0 CB A:THR1636 4.9 7.7 1.0 C A:ASN1509 5.0 8.4 1.0 C A:LYS1499 5.0 11.1 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:Ca2644 b:9.9 occ:1.00 OE1 B:GLU1637 2.2 12.1 1.0 O B:ASN1495 2.2 9.6 1.0 O B:LEU1500 2.3 13.1 1.0 OD1 B:ASN1509 2.3 13.8 1.0 O B:THR1636 2.3 9.9 1.0 OD1 B:ASP1498 2.4 10.7 1.0 CG B:ASP1498 3.4 11.7 1.0 C B:LEU1500 3.4 15.1 1.0 CD B:GLU1637 3.4 10.2 1.0 CG B:ASN1509 3.5 13.2 1.0 C B:THR1636 3.5 9.0 1.0 C B:ASN1495 3.5 9.8 1.0 OD2 B:ASP1498 3.8 12.0 1.0 N B:LEU1500 3.9 14.4 1.0 CB B:GLU1637 4.0 10.6 1.0 OG1 B:THR1636 4.0 12.1 1.0 ND2 B:ASN1509 4.0 13.8 1.0 CA B:LEU1500 4.1 16.3 1.0 CB B:LEU1500 4.1 17.5 1.0 CA B:GLU1637 4.2 9.3 1.0 CA B:VAL1496 4.2 9.3 1.0 CG B:GLU1637 4.3 10.0 1.0 N B:GLU1637 4.3 8.8 1.0 N B:VAL1496 4.3 8.9 1.0 C B:VAL1496 4.3 9.0 1.0 OE2 B:GLU1637 4.4 10.7 1.0 N B:ASP1498 4.4 9.7 1.0 CA B:ASN1495 4.4 9.7 1.0 N B:ILE1501 4.5 14.1 1.0 CA B:THR1636 4.5 9.8 1.0 CB B:ASP1498 4.6 12.1 1.0 N B:LYS1499 4.6 12.5 1.0 N B:ASN1497 4.7 8.4 1.0 O B:ASN1509 4.7 11.7 1.0 CB B:ASN1495 4.7 10.3 1.0 O B:VAL1496 4.7 9.1 1.0 CB B:ASN1509 4.7 12.4 1.0 CA B:ILE1501 4.8 13.6 1.0 CA B:ASP1498 4.9 11.2 1.0 CB B:THR1636 4.9 10.6 1.0 C B:LYS1499 4.9 17.0 1.0 C B:ASP1498 4.9 13.2 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