Calcium in PDB 5ta1: Crystal Structure of BUGH86WT

The structure of Crystal Structure of BUGH86WT, PDB code: 5ta1 was solved by B.Pluvinage, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	118.55 / 2.30
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	167.660, 167.660, 167.660, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21.2

The binding sites of Calcium atom in the Crystal Structure of BUGH86WT (pdb code 5ta1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of BUGH86WT, PDB code: 5ta1:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of BUGH86WT


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 BUGH86WT within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:41.4 occ:1.00 O A:HOH876 2.9 41.2 1.0 O A:HOH974 3.2 47.3 1.0 NE A:ARG256 3.3 45.7 1.0 N A:ASP248 3.4 45.0 1.0 O A:PHE246 3.6 40.1 1.0 CA A:PRO247 3.7 39.5 1.0 CG A:ARG256 3.7 43.6 1.0 CD1 A:PHE249 3.9 35.7 1.0 CD A:ARG256 3.9 44.5 1.0 OH A:TYR242 4.0 33.3 1.0 CD A:ARG260 4.0 47.6 1.0 C A:PRO247 4.0 40.7 1.0 CE1 A:PHE249 4.0 34.5 1.0 CZ A:ARG256 4.2 53.9 1.0 NH1 A:ARG256 4.2 53.9 1.0 C A:ASP248 4.3 43.5 1.0 CG2 A:THR244 4.4 37.2 1.0 CA A:ASP248 4.4 43.7 1.0 C A:PHE246 4.5 37.3 1.0 O A:ASP248 4.5 41.1 1.0 CB A:ARG260 4.5 45.8 1.0 N A:PRO247 4.6 40.8 1.0 CD1 A:TRP261 4.6 37.4 1.0 N A:PHE249 4.7 38.1 1.0 CB A:PRO247 4.7 39.9 1.0 CG A:ARG260 4.8 49.0 1.0 NH1 A:ARG260 4.9 43.6 1.0 O A:ARG256 4.9 44.5 1.0 NE A:ARG260 5.0 46.0 1.0 CB A:ARG256 5.0 42.2 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of BUGH86WT


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of BUGH86WT within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:40.9 occ:1.00 O A:HOH972 2.3 38.8 1.0 O A:GLY590 2.4 32.5 1.0 O A:PHE588 2.4 36.7 1.0 OD1 A:ASN587 2.4 42.2 1.0 OD2 A:ASP430 2.5 37.2 1.0 OD1 A:ASP430 2.6 39.2 1.0 O A:HOH992 2.7 41.7 1.0 O A:HOH979 2.7 49.1 1.0 CG A:ASP430 2.9 37.9 1.0 C A:GLY590 3.5 35.1 1.0 CG A:ASN587 3.5 42.2 1.0 C A:PHE588 3.6 37.9 1.0 N A:GLY590 3.7 33.7 1.0 N A:PHE588 4.0 39.7 1.0 ND2 A:ASN587 4.0 38.4 1.0 CA A:GLY590 4.2 34.6 1.0 C A:ARG589 4.3 33.8 1.0 CB A:ASP430 4.4 36.9 1.0 O A:HOH907 4.4 40.0 1.0 CA A:PHE588 4.5 39.1 1.0 N A:ARG589 4.5 38.6 1.0 N A:ASP591 4.6 36.9 1.0 CA A:ARG589 4.6 35.9 1.0 O A:HOH973 4.8 49.0 1.0 CB A:ASN587 4.8 44.2 1.0 CA A:ASP591 4.8 40.7 1.0 C A:ASN587 4.8 40.5 1.0 CA A:ASN587 4.9 42.8 1.0 CD2 A:PHE588 4.9 46.8 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of BUGH86WT


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of BUGH86WT within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:32.1 occ:1.00 O A:HOH1009 2.2 39.5 1.0 O A:HOH1055 2.3 30.2 1.0 O A:THR424 2.3 31.3 1.0 O A:HOH873 2.4 28.2 1.0 O A:HOH980 2.4 30.8 1.0 O A:HOH1046 2.4 29.1 1.0 O A:HOH831 2.5 32.0 1.0 C A:THR424 3.5 30.6 1.0 O A:HOH1056 4.1 31.2 1.0 OG1 A:THR424 4.2 31.8 1.0 N A:THR424 4.2 32.0 1.0 O A:HOH1015 4.4 40.6 1.0 N A:ASN425 4.4 28.2 1.0 O A:HOH922 4.4 30.2 1.0 CA A:ASN425 4.4 32.9 1.0 CE1 A:HIS32 4.5 31.4 1.0 CA A:THR424 4.5 31.4 1.0 O A:HOH885 4.5 25.5 1.0 OE2 A:GLU423 4.6 35.0 1.0 ND1 A:HIS32 4.6 32.8 1.0 O A:HOH987 4.7 42.0 1.0 CB A:ASN425 4.7 33.2 1.0 O A:HOH995 4.7 37.6 1.0 CG A:GLU423 5.0 33.1 1.0 CB A:THR424 5.0 31.2 1.0

B.Pluvinage, J.M.Grondin, C.Amundsen, L.Klassen, P.E.Moote, Y.Xiao, D.Thomas, N.A.Pudlo, A.Anele, E.C.Martens, G.D.Inglis, R.E.R.Uwiera, A.B.Boraston, D.W.Abbott. Molecular Basis of An Agarose Metabolic Pathway Acquired By A Human Intestinal Symbiont. Nat Commun V. 9 1043 2018.
ISSN: ESSN 2041-1723
PubMed: 29535379
DOI: 10.1038/S41467-018-03366-X