Calcium in PDB 5aeg: A Bacterial Protein Structure in Glycoside Hydrolase Family 31.

All present enzymatic activity of A Bacterial Protein Structure in Glycoside Hydrolase Family 31.:
3.2.1.20;

The structure of A Bacterial Protein Structure in Glycoside Hydrolase Family 31., PDB code: 5aeg was solved by Y.Jin, G.Speciale, G.J.Davies, S.J.Williams, E.D.Goddard-Borger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	105.45 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.665, 112.643, 111.881, 90.00, 109.52, 90.00
R / Rfree (%)	16 / 19.3

The structure of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31. (pdb code 5aeg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31., PDB code: 5aeg:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1679 b:33.6 occ:1.00 OE1 A:GLU311 2.4 26.9 1.0 O A:HOH2275 2.4 35.0 1.0 O A:HOH2272 2.5 32.7 1.0 O A:HOH2276 2.6 36.6 1.0 CD A:GLU311 3.4 29.4 1.0 OE2 A:GLU311 3.9 29.0 1.0 O A:HOH2274 3.9 50.1 1.0 CA A:GLU311 4.5 23.6 1.0 O A:HOH2273 4.5 50.3 1.0 CG A:GLU311 4.7 26.4 1.0 O A:GLU311 4.8 24.3 1.0 O A:SER310 4.8 30.2 1.0 CB A:GLU311 4.8 27.5 1.0

Calcium binding site 2 out of 3 in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1680 b:18.0 occ:1.00 OE1 A:GLN153 2.3 20.2 1.0 O A:HOH2124 2.4 18.2 1.0 O A:GLY154 2.4 17.3 1.0 O A:ASP472 2.4 19.4 1.0 OD2 A:ASP472 2.4 24.6 1.0 OD1 A:ASP481 2.4 17.0 1.0 OD2 A:ASP481 2.6 19.5 1.0 CG A:ASP481 2.9 18.7 1.0 CG A:ASP472 3.3 25.5 1.0 C A:ASP472 3.5 20.0 1.0 CD A:GLN153 3.5 23.1 1.0 C A:GLY154 3.6 19.3 1.0 CB A:ASP472 4.1 22.8 1.0 OD1 A:ASP472 4.2 26.8 1.0 NE2 A:GLN153 4.2 22.1 1.0 CA A:VAL155 4.3 19.5 1.0 CD A:ARG157 4.3 19.4 1.0 CA A:GLN473 4.3 17.2 1.0 O A:HOH2123 4.4 15.3 1.0 N A:GLN473 4.4 17.9 1.0 N A:VAL155 4.4 20.3 1.0 CA A:ASP472 4.4 20.0 1.0 CB A:ASP481 4.5 18.1 1.0 N A:GLY154 4.5 18.8 1.0 OD1 A:ASN474 4.6 18.2 1.0 O A:HOH2122 4.6 19.2 1.0 CB A:GLN153 4.6 19.6 1.0 CA A:GLY154 4.6 19.0 1.0 N A:ASN474 4.6 16.7 1.0 OG1 A:THR509 4.7 20.1 1.0 C A:GLN473 4.7 17.0 1.0 CG A:GLN153 4.7 20.3 1.0 C A:GLN153 4.7 19.4 1.0 CG A:ARG157 4.8 20.1 1.0 O A:GLN153 4.9 17.6 1.0 N A:GLY156 5.0 20.3 1.0

Calcium binding site 3 out of 3 in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1678 b:27.3 occ:1.00 OE1 B:GLN153 2.3 28.8 1.0 O B:GLY154 2.4 26.3 1.0 O B:HOH2080 2.4 29.3 1.0 O B:HOH2082 2.4 26.9 1.0 OD1 B:ASP481 2.5 26.4 1.0 O B:ASP472 2.5 27.7 1.0 OD2 B:ASP481 2.6 27.2 1.0 CG B:ASP481 2.9 25.2 1.0 CD B:GLN153 3.5 25.0 1.0 C B:GLY154 3.5 27.6 1.0 C B:ASP472 3.7 29.0 1.0 NE2 B:GLN153 4.2 27.1 1.0 CA B:VAL155 4.3 27.9 1.0 N B:VAL155 4.3 25.9 1.0 CA B:GLN473 4.3 25.7 1.0 CD B:ARG157 4.3 26.1 1.0 O B:HOH2081 4.4 24.9 1.0 CB B:ASP481 4.4 25.6 1.0 N B:GLN473 4.4 28.0 1.0 N B:GLY154 4.5 25.2 1.0 OD1 B:ASN474 4.6 27.0 1.0 CB B:ASP472 4.6 30.7 1.0 CA B:GLY154 4.6 25.2 1.0 C B:GLN473 4.6 30.3 1.0 CB B:GLN153 4.6 27.4 1.0 O B:HOH2079 4.6 29.0 1.0 N B:ASN474 4.6 27.3 1.0 C B:GLN153 4.7 24.8 1.0 CG B:GLN153 4.7 28.4 1.0 CA B:ASP472 4.7 28.1 1.0 OG1 B:THR509 4.7 26.5 1.0 CG B:ARG157 4.7 25.6 1.0 O B:GLN153 4.9 24.8 1.0 O B:HOH2078 4.9 36.5 1.0 CG2 B:VAL155 5.0 27.6 1.0

G.Speciale, Y.Jin, G.J.Davies, S.J.Williams, E.D.Goddard-Borger. Yihq Is A Sulfoquinovosidase That Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol. V. 12 215 2016.
ISSN: ISSN 1552-4450
PubMed: 26878550
DOI: 10.1038/NCHEMBIO.2023