Calcium in PDB 6lja: Crystal Structure of Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product

The structure of Crystal Structure of Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product, PDB code: 6lja was solved by Q.D.Zhang, H.Y.Cao, L.Wei, F.C.Li, Y.Z.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.77 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.475, 108.333, 128.685, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 18.5

The binding sites of Calcium atom in the Crystal Structure of Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product (pdb code 6lja). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product, PDB code: 6lja:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product


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 Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca902 b:24.8 occ:1.00 NE2 A:GLN340 3.2 16.4 1.0 ND2 A:ASN386 3.2 14.3 1.0 NE1 A:TRP384 3.3 15.8 1.0 ND2 A:ASN394 3.3 17.6 1.0 O A:HOH1375 3.4 16.8 1.0 CB A:ASN386 3.7 17.2 1.0 CB A:TYR390 3.8 14.5 1.0 CG A:ASN386 3.9 18.0 1.0 CG A:GLN340 4.0 14.2 1.0 CE2 A:TRP384 4.0 15.6 1.0 O A:TYR390 4.0 15.9 1.0 CZ2 A:TRP384 4.0 14.3 1.0 CD A:GLN340 4.1 17.5 1.0 CG A:ASN394 4.2 17.3 1.0 OD1 A:ASN394 4.3 15.4 1.0 OD1 A:ASN336 4.4 15.9 1.0 CD1 A:TRP384 4.4 16.3 1.0 NE2 A:HIS385 4.4 20.3 1.0 C A:TYR390 4.5 15.2 1.0 CG A:TYR390 4.6 17.8 1.0 CG A:ASN336 4.7 17.4 1.0 CD2 A:HIS555 4.7 17.6 1.0 CD1 A:TYR390 4.7 15.4 1.0 CA A:TYR390 4.8 14.8 1.0 CE1 A:HIS385 4.9 16.2 1.0 CB A:ASN336 4.9 15.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product


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 Exohep From Bacteroides Intestinalis Dsm 17393 Complexed with Disaccharide Product within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca903 b:21.1 occ:1.00 N A:GLY440 3.0 16.6 1.0 O A:HOH1572 3.1 17.3 1.0 N A:LEU557 3.2 13.8 1.0 NH1 A:ARG546 3.4 14.0 1.0 ND2 A:ASN559 3.5 16.0 1.0 CD A:ARG546 3.6 17.4 1.0 CZ A:ARG546 3.7 14.0 1.0 OD1 A:ASN559 3.7 18.0 1.0 CG A:LEU557 3.7 13.9 1.0 NE A:ARG546 3.7 14.4 1.0 CB A:HIS439 3.7 14.9 1.0 CA A:HIS439 3.8 15.3 1.0 CB A:LEU557 3.8 14.4 1.0 C A:HIS439 3.8 15.5 1.0 CA A:GLY440 3.9 15.1 1.0 CA A:ALA556 3.9 15.8 1.0 CG A:ASN559 4.0 16.7 1.0 C A:ALA556 4.0 14.7 1.0 CA A:LEU557 4.0 15.5 1.0 CB A:ALA556 4.2 14.5 1.0 CD1 A:LEU557 4.2 14.2 1.0 CG A:HIS439 4.4 16.0 1.0 NH2 A:ARG546 4.5 14.6 1.0 O A:LEU557 4.5 16.1 1.0 CD2 A:HIS439 4.6 18.1 1.0 C A:LEU557 4.7 16.1 1.0 O A:HIS439 5.0 15.8 1.0

Q.D.Zhang, H.Y.Cao. Crystal Structure and Catalytic Mechanism of A Novel Exo-Type Heparinase Exohep From Bacteroides Intestinalis Dsm 17393 To Be Published.