Calcium in PDB 5lu3: The Structure of Spirochaeta Thermophila CBM64

The structure of The Structure of Spirochaeta Thermophila CBM64, PDB code: 5lu3 was solved by M.A.S.Correia, M.J.Romao, A.L.Carvalho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.21 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.703, 56.703, 66.738, 90.00, 90.00, 90.00
R / Rfree (%)	12.4 / 15.1

The structure of The Structure of Spirochaeta Thermophila CBM64 also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Calcium atom in the The Structure of Spirochaeta Thermophila CBM64 (pdb code 5lu3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Structure of Spirochaeta Thermophila CBM64, PDB code: 5lu3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Structure of Spirochaeta Thermophila CBM64


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of Spirochaeta Thermophila CBM64 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:36.1 occ:0.35 CA A:CA103 0.0 36.1 0.3 CA A:CA103 1.5 21.0 0.4 OD1 A:ASP7 2.2 29.8 1.0 OD1 A:ASP24 2.7 20.9 1.0 OD2 A:ASP24 2.7 25.5 1.0 O A:HOH270 3.0 42.1 1.0 CG A:ASP24 3.1 17.7 1.0 O A:HOH231 3.2 17.8 1.0 O A:HOH249 3.2 38.2 1.0 CG A:ASP7 3.2 27.2 1.0 CB A:ASP7 3.7 20.0 1.0 OD1 A:ASP23 3.9 18.0 1.0 CA A:ASP7 4.0 16.1 1.0 OD2 A:ASP7 4.2 34.6 1.0 O A:MET6 4.3 13.5 1.0 CB A:ASP24 4.5 13.8 1.0 N A:ASP7 4.8 13.9 1.0 OG1 A:THR22 4.8 13.0 1.0 O A:HOH262 4.8 40.9 1.0 C A:MET6 4.9 13.1 1.0

Calcium binding site 2 out of 2 in the The Structure of Spirochaeta Thermophila CBM64


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of Spirochaeta Thermophila CBM64 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca103 b:21.0 occ:0.43 CA A:CA103 0.0 21.0 0.4 CA A:CA103 1.5 36.1 0.3 O A:HOH270 2.3 42.1 1.0 O A:HOH249 2.4 38.2 1.0 OD1 A:ASP23 2.4 18.0 1.0 O A:HOH231 2.5 17.8 1.0 OD1 A:ASP24 2.6 20.9 1.0 CG A:ASP24 3.3 17.7 1.0 OD1 A:ASP7 3.4 29.8 1.0 OD2 A:ASP24 3.5 25.5 1.0 CG A:ASP23 3.6 15.7 1.0 O A:HOH262 4.1 40.9 1.0 OD2 A:ASP23 4.1 23.2 1.0 OE2 A:GLU5 4.2 20.3 1.0 N A:ASP23 4.3 11.0 1.0 CB A:ASP24 4.5 13.8 1.0 CG A:ASP7 4.5 27.2 1.0 O A:MET6 4.6 13.5 1.0 OG1 A:THR22 4.6 13.0 1.0 N A:ASP24 4.6 11.3 1.0 C A:ASP23 4.6 11.1 1.0 CB A:ASP23 4.7 13.6 1.0 CA A:ASP23 4.8 12.0 1.0 CA A:ASP24 4.9 12.3 1.0

V.M.Pires, P.M.Pereira, J.L.Bras, M.Correia, V.Cardoso, P.Bule, V.D.Alves, S.Najmudin, I.Venditto, L.M.Ferreira, M.J.Romao, A.L.Carvalho, C.M.Fontes, D.M.Prazeres. Stability and Ligand Promiscuity of Type A Carbohydrate-Binding Modules Are Illustrated By the Structure of Spirochaeta Thermophila STCBM64C. J. Biol. Chem. V. 292 4847 2017.
ISSN: ESSN 1083-351X
PubMed: 28179427
DOI: 10.1074/JBC.M116.767541