Calcium in PDB 6ljl: Crystal Structure of Exohep-Y390A/H555A Complexed with A Tetrasaccharide Substrate

The structure of Crystal Structure of Exohep-Y390A/H555A Complexed with A Tetrasaccharide Substrate, PDB code: 6ljl 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)	82.86 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.459, 107.851, 129.434, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.3

The binding sites of Calcium atom in the Crystal Structure of Exohep-Y390A/H555A Complexed with A Tetrasaccharide Substrate (pdb code 6ljl). 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-Y390A/H555A Complexed with A Tetrasaccharide Substrate, PDB code: 6ljl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Exohep-Y390A/H555A Complexed with A Tetrasaccharide Substrate


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-Y390A/H555A Complexed with A Tetrasaccharide Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca905 b:23.0 occ:1.00 ND2 A:ASN386 3.2 17.2 1.0 O A:HOH1285 3.3 19.6 1.0 O A:HOH1506 3.3 30.5 1.0 NE1 A:TRP384 3.3 18.1 1.0 NE2 A:GLN340 3.4 21.3 1.0 ND2 A:ASN394 3.4 15.6 1.0 CB A:ALA390 3.7 17.3 1.0 CB A:ASN386 3.8 15.1 1.0 CG A:GLN340 3.9 15.4 1.0 CG A:ASN386 4.0 19.4 1.0 CZ2 A:TRP384 4.0 17.8 1.0 CE2 A:TRP384 4.0 15.3 1.0 CD A:GLN340 4.1 22.5 1.0 O A:ALA390 4.2 19.8 1.0 OD1 A:ASN336 4.2 18.0 1.0 NE2 A:HIS385 4.3 20.6 1.0 CG A:ASN394 4.3 16.8 1.0 OD1 A:ASN394 4.3 16.6 1.0 CG A:ASN336 4.5 20.9 1.0 CD1 A:TRP384 4.5 19.0 1.0 C A:ALA390 4.6 18.6 1.0 CB A:ASN336 4.6 18.3 1.0 CA A:ALA390 4.6 17.8 1.0 CA A:ASN336 4.7 19.0 1.0 CE1 A:HIS385 4.7 17.2 1.0 O A:ASN336 4.8 16.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Exohep-Y390A/H555A Complexed with A Tetrasaccharide Substrate


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-Y390A/H555A Complexed with A Tetrasaccharide Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca906 b:21.6 occ:1.00 N A:GLY440 3.2 15.8 1.0 O A:HOH1497 3.2 19.1 1.0 N A:LEU557 3.3 13.6 1.0 NH1 A:ARG546 3.4 18.7 1.0 ND2 A:ASN559 3.5 18.9 1.0 CD A:ARG546 3.6 18.7 1.0 CZ A:ARG546 3.6 17.1 1.0 NE A:ARG546 3.6 17.2 1.0 CB A:HIS439 3.7 17.8 1.0 CG A:LEU557 3.7 19.5 1.0 OD1 A:ASN559 3.7 18.5 1.0 CA A:HIS439 3.7 16.6 1.0 C A:HIS439 3.9 16.4 1.0 CB A:LEU557 3.9 17.5 1.0 CA A:ALA556 3.9 15.0 1.0 CG A:ASN559 4.0 18.4 1.0 CA A:GLY440 4.0 14.4 1.0 C A:ALA556 4.1 18.6 1.0 CA A:LEU557 4.1 16.1 1.0 CB A:ALA556 4.1 15.9 1.0 CD1 A:LEU557 4.1 22.0 1.0 CG A:HIS439 4.3 16.6 1.0 NH2 A:ARG546 4.4 17.7 1.0 CD2 A:HIS439 4.5 20.5 1.0 O A:LEU557 4.5 17.1 1.0 C A:LEU557 4.7 14.6 1.0

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