Calcium in PDB 6lgi: Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose

The structure of Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose, PDB code: 6lgi was solved by T.Miyazaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.04 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.405, 147.055, 153.544, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.7

The structure of Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Calcium atom in the Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose (pdb code 6lgi). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose, PDB code: 6lgi:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:25.8 occ:1.00 O A:HOH916 2.3 27.5 1.0 OD2 A:ASP217 2.3 25.8 1.0 O A:HOH833 2.4 25.7 1.0 O A:LEU252 2.4 26.2 1.0 OD1 A:ASN144 2.4 25.6 1.0 OE2 A:GLU254 2.5 25.6 1.0 O A:TYR251 2.5 24.7 1.0 C A:LEU252 3.1 28.9 1.0 CG A:ASP217 3.4 28.6 1.0 CG A:ASN144 3.4 25.9 1.0 CD A:GLU254 3.5 28.9 1.0 C A:TYR251 3.5 25.4 1.0 CA A:LEU252 3.6 26.8 1.0 OE1 A:GLU254 3.8 29.0 1.0 CB A:ASP217 3.8 24.4 1.0 ND2 A:ASN144 3.9 26.6 1.0 N A:LEU252 4.0 26.6 1.0 N A:ILE253 4.1 27.9 1.0 O A:PHE218 4.4 26.5 1.0 O A:ASN144 4.4 25.5 1.0 NE2 A:GLN210 4.4 24.4 1.0 O A:HOH1043 4.4 27.6 1.0 OD1 A:ASP217 4.5 24.3 1.0 CA A:ASP217 4.7 24.9 1.0 CB A:ASN144 4.7 25.5 1.0 CA A:TYR251 4.7 24.9 1.0 CA A:ILE253 4.8 29.6 1.0 CD2 A:LEU208 4.8 31.0 1.0 CG A:GLU254 4.8 29.9 1.0 CB A:TYR251 4.8 23.6 1.0 CB A:LEU252 4.9 28.0 1.0 CG A:GLN210 4.9 25.0 1.0

Calcium binding site 2 out of 2 in the Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bombyx Mori GH13 Sucrose Hydrolase Mutant E322Q Covalent Intermediate Complexed with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca702 b:24.1 occ:1.00 OD2 B:ASP217 2.4 27.1 1.0 O B:HOH836 2.4 23.6 1.0 O B:TYR251 2.4 23.4 1.0 OD1 B:ASN144 2.4 23.9 1.0 OE2 B:GLU254 2.4 27.5 1.0 O B:HOH1002 2.4 24.6 1.0 O B:LEU252 2.6 23.9 1.0 C B:LEU252 3.1 22.5 1.0 CG B:ASP217 3.4 25.8 1.0 CG B:ASN144 3.4 20.3 1.0 CD B:GLU254 3.4 28.7 1.0 C B:TYR251 3.5 23.9 1.0 CA B:LEU252 3.6 23.8 1.0 OE1 B:GLU254 3.7 25.8 1.0 CB B:ASP217 3.7 23.4 1.0 ND2 B:ASN144 3.9 22.5 1.0 N B:LEU252 4.0 21.2 1.0 N B:ILE253 4.1 23.1 1.0 O B:PHE218 4.3 23.5 1.0 O B:ASN144 4.4 25.3 1.0 NE2 B:GLN210 4.4 24.0 1.0 O B:HOH1009 4.5 25.9 1.0 OD1 B:ASP217 4.5 25.3 1.0 CA B:TYR251 4.7 24.2 1.0 CA B:ASP217 4.7 23.8 1.0 CB B:ASN144 4.7 23.7 1.0 CG B:GLU254 4.8 24.6 1.0 CD2 B:LEU208 4.8 27.7 1.0 CA B:ILE253 4.8 27.1 1.0 CB B:TYR251 4.8 24.3 1.0 CG B:GLN210 4.8 23.6 1.0 CB B:LEU252 4.9 23.0 1.0

T.Miyazaki, E.Y.Park. Structure-Function Analysis of Silkworm Sucrose Hydrolase Uncovers the Mechanism of Substrate Specificity in GH13 Subfamily 17EXO-Alpha-Glucosidases. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 32381508
DOI: 10.1074/JBC.RA120.013595