Calcium in PDB 5mqn: Glycoside Hydrolase BT_0986

The structure of Glycoside Hydrolase BT_0986, PDB code: 5mqn was solved by A.Basle, D.Ndeh, A.Rogowski, A.Cartmell, A.S.Luis, I.Venditto, A.Labourel, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.17 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.291, 85.758, 120.870, 90.00, 98.78, 90.00
R / Rfree (%)	17.4 / 20.5

The binding sites of Calcium atom in the Glycoside Hydrolase BT_0986 (pdb code 5mqn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Glycoside Hydrolase BT_0986, PDB code: 5mqn:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Glycoside Hydrolase BT_0986


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Glycoside Hydrolase BT_0986 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1201 b:38.4 occ:1.00 O A:HOH1357 2.2 7.7 1.0 OD2 A:ASP458 2.2 21.4 1.0 O A:HOH1767 2.3 26.2 1.0 O A:HOH2127 2.3 42.2 1.0 OE1 A:GLU593 2.4 20.3 1.0 OD1 A:ASP458 2.6 21.1 1.0 CG A:ASP458 2.7 21.2 1.0 CD A:GLU593 3.3 19.6 1.0 OE1 A:GLU538 3.3 19.6 1.0 O A:HOH2072 3.4 43.9 1.0 OE2 A:GLU593 3.5 20.7 1.0 OE2 A:GLU538 3.9 19.5 1.0 O A:HOH1301 3.9 46.5 1.0 CD A:GLU538 4.0 19.2 1.0 CB A:ASP458 4.2 21.3 1.0 O A:HOH1595 4.4 23.2 1.0 OG A:SER459 4.4 20.7 1.0 OE1 A:GLU561 4.5 18.1 1.0 O A:HOH1478 4.6 33.1 1.0 CG A:GLU593 4.6 19.0 1.0 OH A:TYR49 4.7 22.2 1.0 N A:SER459 4.8 20.9 1.0 CZ A:PHE47 4.9 18.8 1.0

Calcium binding site 2 out of 3 in the Glycoside Hydrolase BT_0986


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Glycoside Hydrolase BT_0986 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1202 b:46.9 occ:1.00 O A:HOH2190 3.1 43.6 1.0 O A:HOH1695 3.5 25.5 1.0 ND2 A:ASN796 3.8 23.8 1.0 O A:HOH1953 3.8 25.0 1.0 O A:HOH1697 3.8 21.4 1.0 O A:HOH1582 3.9 30.3 1.0 O A:PRO790 3.9 23.2 1.0 CA A:GLY689 4.1 22.9 1.0 CD2 A:PHE687 4.2 22.8 1.0 CD A:PRO790 4.4 22.7 1.0 CD2 A:LEU802 4.5 37.6 1.0 CE2 A:PHE687 4.7 23.0 1.0 N A:PRO790 4.7 23.0 1.0 N A:GLY689 4.8 22.4 1.0 C A:LEU789 4.9 23.5 1.0 C A:PRO790 5.0 23.0 1.0

Calcium binding site 3 out of 3 in the Glycoside Hydrolase BT_0986


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Glycoside Hydrolase BT_0986 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1203 b:21.0 occ:1.00 NH1 A:ARG793 3.2 20.2 1.0 NH1 A:ARG701 3.3 18.1 1.0 N A:MET795 3.4 21.0 1.0 CG A:ARG701 3.6 18.0 1.0 CG A:ARG793 3.7 20.9 1.0 CB A:MET795 3.7 21.3 1.0 CD A:ARG701 3.7 18.1 1.0 O A:HOH2046 3.7 27.5 1.0 CD A:PRO794 3.8 20.5 1.0 CB A:ARG701 3.8 18.2 1.0 CB A:ARG793 3.8 20.8 1.0 N A:PRO794 3.8 20.7 1.0 CD A:ARG793 3.8 20.7 1.0 CG A:MET795 3.9 21.1 1.0 CB A:PRO794 4.1 20.4 1.0 CA A:MET795 4.2 21.4 1.0 CZ A:ARG793 4.3 20.5 1.0 C A:ARG793 4.3 21.0 1.0 CA A:PRO794 4.3 20.7 1.0 CZ A:ARG701 4.3 17.9 1.0 C A:PRO794 4.3 20.9 1.0 CG A:PRO794 4.4 20.3 1.0 NE A:ARG701 4.5 17.9 1.0 NE A:ARG793 4.5 20.7 1.0 O A:HOH1984 4.6 15.1 1.0 CA A:ARG793 4.6 21.1 1.0 O A:HOH1528 4.7 35.7 1.0 CG2 A:ILE697 4.9 18.2 1.0 O A:ARG793 5.0 21.0 1.0

D.Ndeh, A.Rogowski, A.Cartmell, A.S.Luis, A.Basle, J.Gray, I.Venditto, J.Briggs, X.Zhang, A.Labourel, N.Terrapon, F.Buffetto, S.Nepogodiev, Y.Xiao, R.A.Field, Y.Zhu, M.A.O'neill, B.R.Urbanowicz, W.S.York, G.J.Davies, D.W.Abbott, M.C.Ralet, E.C.Martens, B.Henrissat, H.J.Gilbert. Complex Pectin Metabolism By Gut Bacteria Reveals Novel Catalytic Functions. Nature V. 544 65 2017.
ISSN: ISSN 0028-0836
PubMed: 28329766
DOI: 10.1038/NATURE21725