Calcium in PDB 3zyh: Crystal Structure of Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution

The structure of Crystal Structure of Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution, PDB code: 3zyh was solved by R.U.Kadam, M.Bergmann, M.Hurley, D.Garg, M.Cacciarini, M.A.Swiderska, C.Nativi, M.Sattler, A.R.Smyth, P.Williams, M.Camara, A.Stocker, T.Darbre, J.-L.Reymond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.26 / 1.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.559, 72.865, 133.723, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 20.2

The binding sites of Calcium atom in the Crystal Structure of Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution (pdb code 3zyh). 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 Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution, PDB code: 3zyh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution


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 Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:6.6 occ:1.00 O A:THR104 2.4 9.1 1.0 O A:TYR36 2.4 7.2 1.0 OD1 A:ASN108 2.4 7.4 1.0 OD1 A:ASN107 2.4 9.5 1.0 OD2 A:ASP100 2.5 6.6 1.0 O3 A:G0S202 2.5 10.6 1.0 O4 A:G0S202 2.6 10.7 1.0 C3 A:G0S202 3.2 14.7 1.0 C A:TYR36 3.4 9.3 1.0 C4 A:G0S202 3.4 9.0 1.0 CG A:ASN107 3.5 8.1 1.0 C A:THR104 3.5 7.9 1.0 CG A:ASN108 3.5 5.3 1.0 CG A:ASP100 3.6 7.9 1.0 OG1 A:THR104 3.6 9.9 1.0 OD1 A:ASP100 3.9 7.5 1.0 ND2 A:ASN107 3.9 8.9 1.0 CA A:TYR36 3.9 6.2 1.0 ND2 A:ASN108 3.9 6.6 1.0 CB A:THR104 4.0 9.0 1.0 C2 A:G0S202 4.1 10.7 1.0 CB A:TYR36 4.1 6.9 1.0 CA A:THR104 4.4 8.8 1.0 N A:TYR105 4.4 7.0 1.0 CA A:TYR105 4.4 8.6 1.0 N A:GLY37 4.4 8.1 1.0 N A:ASN108 4.6 6.4 1.0 O A:HOH322 4.6 24.2 1.0 C A:ASN107 4.7 7.8 1.0 CA A:GLY37 4.7 8.6 1.0 C A:TYR105 4.7 9.5 1.0 O2 A:G0S202 4.8 13.9 1.0 CB A:ASN108 4.8 5.4 1.0 C5 A:G0S202 4.8 13.8 1.0 N A:ASN107 4.8 6.3 1.0 CB A:ASN107 4.8 7.0 1.0 CB A:ASP100 4.9 6.3 1.0 CA A:ASN108 4.9 7.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution


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 Pa-Il Lectin Complexed with GALBG0 at 1.5 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:7.1 occ:1.00 O B:THR104 2.3 7.9 1.0 OD1 B:ASN108 2.4 5.6 1.0 O B:TYR36 2.4 8.8 1.0 O3 B:G0S202 2.4 8.4 1.0 O4 B:G0S202 2.5 8.6 1.0 OD1 B:ASN107 2.5 6.6 1.0 OD2 B:ASP100 2.5 6.9 1.0 C B:TYR36 3.4 5.0 1.0 C4 B:G0S202 3.4 12.7 1.0 C3 B:G0S202 3.4 8.0 1.0 CG B:ASN108 3.5 5.6 1.0 C B:THR104 3.5 6.4 1.0 CG B:ASN107 3.5 7.6 1.0 CG B:ASP100 3.5 6.7 1.0 OG1 B:THR104 3.6 9.4 1.0 OD1 B:ASP100 3.8 7.6 1.0 CA B:TYR36 3.9 5.9 1.0 CB B:THR104 3.9 7.1 1.0 ND2 B:ASN108 3.9 5.3 1.0 ND2 B:ASN107 4.0 8.2 1.0 C2 B:G0S202 4.0 12.7 1.0 CB B:TYR36 4.1 6.4 1.0 CA B:THR104 4.3 8.7 1.0 N B:TYR105 4.4 7.1 1.0 CA B:TYR105 4.4 5.4 1.0 N B:GLY37 4.4 8.4 1.0 N B:ASN108 4.6 7.2 1.0 O B:HOH368 4.6 20.4 1.0 C5 B:G0S202 4.6 15.6 1.0 O2 B:G0S202 4.7 13.1 1.0 CB B:ASN108 4.7 6.2 1.0 CA B:GLY37 4.7 9.7 1.0 C B:ASN107 4.8 6.7 1.0 C B:TYR105 4.8 6.2 1.0 N B:ASN107 4.8 6.0 1.0 CB B:ASN107 4.9 7.7 1.0 CB B:ASP100 4.9 6.1 1.0 CA B:ASN108 4.9 7.2 1.0

R.U.Kadam, M.Bergmann, M.Hurley, D.Garg, M.Cacciarini, M.A.Swiderska, C.Nativi, M.Sattler, A.R.Smyth, P.Williams, M.Camara, A.Stocker, T.Darbre, J.-L.Reymond. A Glycopeptide Dendrimer Inhibitor of the Galactose Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms Angew.Chem.Int.Ed.Engl. V. 50 10631 2011.
ISSN: ISSN 1433-7851
PubMed: 21919164
DOI: 10.1002/ANIE.201104342