Calcium in PDB 8xvq: Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose

All present enzymatic activity of Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose:
2.4.1.9;

The structure of Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose, PDB code: 8xvq was solved by D.Ni, X.Hou, M.Cheng, W.Xu, Y.Rao, W.Mu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.54 / 2.14
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.24, 99.92, 153.03, 90, 90, 90
R / Rfree (%)	17.8 / 22.7

The binding sites of Calcium atom in the Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose (pdb code 8xvq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose, PDB code: 8xvq:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose


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 Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:19.0 occ:1.00 OE1 A:GLN449 2.3 18.1 1.0 O A:TRP486 2.3 17.5 1.0 OD1 A:ASP418 2.3 19.6 1.0 OD1 A:ASN488 2.3 15.7 1.0 O A:HOH944 2.3 16.0 1.0 OD1 A:ASP520 2.3 16.4 1.0 OD2 A:ASP520 2.6 17.6 1.0 CG A:ASP520 2.8 17.3 1.0 CG A:ASN488 3.5 15.1 1.0 CG A:ASP418 3.5 20.7 1.0 CD A:GLN449 3.5 18.4 1.0 C A:TRP486 3.5 17.2 1.0 N A:ASN488 3.9 15.2 1.0 OD2 A:ASP418 4.0 20.2 1.0 NE2 A:GLN449 4.2 18.9 1.0 ND2 A:ASN488 4.2 15.2 1.0 CB A:ASP520 4.3 16.9 1.0 O A:ASN419 4.3 20.1 1.0 C A:ALA487 4.4 15.1 1.0 CB A:GLN449 4.4 17.9 1.0 N A:ASN419 4.4 19.9 1.0 N A:ALA487 4.4 16.0 1.0 CA A:TRP486 4.5 17.7 1.0 CA A:ALA487 4.5 15.9 1.0 CB A:ASN488 4.5 15.1 1.0 OG A:SER442 4.5 16.6 1.0 CG A:GLN449 4.5 18.2 1.0 O A:HOH907 4.6 31.2 1.0 CB A:TRP486 4.7 18.9 1.0 CA A:ASN488 4.7 14.8 1.0 CB A:ASP418 4.7 21.0 1.0 CB A:SER442 4.8 15.8 1.0 CA A:ASP418 4.8 20.8 1.0 NE2 A:GLN405 4.9 19.8 1.0 C A:ASN488 5.0 14.6 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose


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 Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:23.2 occ:1.00 O A:ILE661 2.3 23.2 1.0 OD1 A:ASN317 2.3 28.2 1.0 O A:HOH989 2.3 21.5 1.0 O A:HOH1013 2.3 24.1 1.0 OD1 A:ASP659 2.3 22.5 1.0 OG A:SER666 2.3 27.8 1.0 OD2 A:ASP659 2.7 24.0 1.0 CG A:ASP659 2.8 22.6 1.0 CB A:SER666 3.4 29.6 1.0 CG A:ASN317 3.4 27.1 1.0 C A:ILE661 3.4 24.2 1.0 ND2 A:ASN317 4.0 25.7 1.0 O A:GLY315 4.0 31.8 1.0 CB A:ILE661 4.1 23.6 1.0 CA A:ILE661 4.1 24.1 1.0 N A:ILE661 4.2 24.9 1.0 CB A:ASP659 4.3 22.9 1.0 CA A:SER666 4.4 29.5 1.0 N A:TRP662 4.5 24.1 1.0 CB A:ASN317 4.5 28.6 1.0 OD1 A:ASP663 4.5 27.6 1.0 O A:HOH911 4.6 21.8 1.0 OD2 A:ASP663 4.6 29.8 1.0 CA A:TRP662 4.7 24.7 1.0 O A:HOH943 4.7 19.1 1.0 C A:GLY315 4.7 28.6 1.0 CG2 A:ILE661 4.7 22.9 1.0 CG A:ASP663 4.8 28.6 1.0 CA A:ASN317 4.8 28.6 1.0 O A:ASP316 4.8 28.7 1.0 N A:ASP663 4.8 27.4 1.0 C A:TRP662 5.0 25.5 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose


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 Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca802 b:17.1 occ:1.00 OD1 B:ASN317 2.3 19.8 1.0 O B:ILE661 2.3 19.2 1.0 OD1 B:ASP659 2.3 18.6 1.0 O B:HOH989 2.3 16.9 1.0 OG B:SER666 2.3 21.1 1.0 O B:HOH999 2.3 15.9 1.0 OD2 B:ASP659 2.5 17.8 1.0 CG B:ASP659 2.7 18.2 1.0 CB B:SER666 3.4 22.8 1.0 C B:ILE661 3.4 19.8 1.0 CG B:ASN317 3.5 19.2 1.0 CB B:ILE661 4.0 20.0 1.0 O B:GLY315 4.1 21.1 1.0 CA B:ILE661 4.1 19.5 1.0 ND2 B:ASN317 4.2 19.1 1.0 N B:ILE661 4.2 18.2 1.0 CB B:ASP659 4.2 18.4 1.0 CA B:SER666 4.4 23.5 1.0 OD1 B:ASP663 4.4 23.1 1.0 CG2 B:ILE661 4.5 20.4 1.0 N B:TRP662 4.5 20.9 1.0 OD2 B:ASP663 4.6 22.5 1.0 CB B:ASN317 4.6 18.4 1.0 O B:ASP316 4.6 19.2 1.0 O B:HOH951 4.7 17.5 1.0 O B:HOH903 4.7 12.7 1.0 CG B:ASP663 4.7 23.0 1.0 C B:GLY315 4.8 20.0 1.0 CA B:TRP662 4.8 21.1 1.0 CA B:ASN317 4.8 18.8 1.0 N B:ASP663 4.9 22.8 1.0 CA B:ASP659 5.0 17.8 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Inulosucrase From Lactobacillus Reuteri 121 in Complex with Fructose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca803 b:17.8 occ:1.00 OD1 B:ASN488 2.3 17.2 1.0 O B:TRP486 2.3 17.6 1.0 OD1 B:ASP418 2.3 19.3 1.0 O B:HOH962 2.3 18.1 1.0 OE1 B:GLN449 2.3 20.7 1.0 OD1 B:ASP520 2.4 17.3 1.0 OD2 B:ASP520 2.6 17.8 1.0 CG B:ASP520 2.8 17.1 1.0 CG B:ASN488 3.5 16.8 1.0 CG B:ASP418 3.5 19.9 1.0 C B:TRP486 3.5 18.7 1.0 CD B:GLN449 3.6 20.7 1.0 OD2 B:ASP418 3.9 18.8 1.0 N B:ASN488 4.0 17.0 1.0 ND2 B:ASN488 4.2 16.4 1.0 O B:ASN419 4.3 19.8 1.0 NE2 B:GLN449 4.3 21.3 1.0 CB B:ASP520 4.3 16.9 1.0 N B:ASN419 4.4 18.8 1.0 OG B:SER442 4.4 16.3 1.0 N B:ALA487 4.4 17.9 1.0 CA B:TRP486 4.5 20.1 1.0 CA B:ALA487 4.5 17.4 1.0 C B:ALA487 4.5 17.1 1.0 CB B:ASN488 4.5 16.5 1.0 CB B:GLN449 4.5 20.6 1.0 CG B:GLN449 4.6 20.9 1.0 CB B:SER442 4.7 17.5 1.0 CA B:ASN488 4.7 16.6 1.0 CB B:TRP486 4.7 21.0 1.0 O B:HOH922 4.7 22.6 1.0 CB B:ASP418 4.8 20.0 1.0 NE2 B:GLN405 4.9 20.4 1.0 CA B:ASP418 4.9 20.9 1.0 OE1 B:GLN405 4.9 22.0 1.0 C B:ASN488 5.0 17.1 1.0

D.Ni, X.Hou, M.Cheng, W.Xu, Y.Rao, W.Mu. Structure-Guided Tunnel Engineering to Reveal the Molecular Basis of Sugar Chain Extension of Inulosucrase To Be Published.