Calcium in PDB 4lk6: Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution

The structure of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution, PDB code: 4lk6 was solved by R.U.Kadam, A.Stocker, J.L.Reymond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.92 / 2.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.068, 150.829, 185.817, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 27.1

The structure of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

24 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution (pdb code 4lk6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution, PDB code: 4lk6:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 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 Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:42.5 occ:1.00 O A:THR104 2.8 52.6 1.0 O4 A:GAL903 2.9 48.5 1.0 O A:TYR36 2.9 45.1 1.0 OD1 A:ASN107 2.9 48.9 1.0 OD2 A:ASP100 2.9 51.6 1.0 OD1 A:ASN108 3.0 49.6 1.0 O3 A:GAL903 3.0 51.6 1.0 OG1 A:THR104 3.2 50.1 1.0 C A:THR104 3.6 47.0 1.0 CG A:ASP100 3.7 48.2 1.0 C A:TYR36 3.7 43.5 1.0 CB A:THR104 3.7 46.8 1.0 CG A:ASN108 3.7 46.0 1.0 OD1 A:ASP100 3.7 44.5 1.0 C4 A:GAL903 3.8 48.3 1.0 ND2 A:ASN108 3.8 44.8 1.0 C3 A:GAL903 4.0 52.7 1.0 CG A:ASN107 4.0 50.5 1.0 O A:HOH1019 4.3 48.6 1.0 CA A:THR104 4.3 45.8 1.0 N A:TYR105 4.3 45.0 1.0 O A:HOH1016 4.4 46.8 1.0 CA A:TYR36 4.4 44.9 1.0 ND2 A:ASN107 4.4 49.5 1.0 N A:GLY37 4.4 42.1 1.0 CA A:TYR105 4.5 45.2 1.0 CA A:GLY37 4.6 43.3 1.0 C2 A:GAL903 4.6 51.2 1.0 CB A:TYR36 4.7 43.4 1.0 N A:ASN108 4.9 47.7 1.0 C A:TYR105 4.9 45.9 1.0 N A:ASN107 5.0 43.6 1.0 CB A:ASN108 5.0 44.7 1.0

Calcium binding site 2 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 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 Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca901 b:48.9 occ:1.00 O B:THR104 2.9 57.7 1.0 OD1 B:ASN108 2.9 54.8 1.0 O4 B:GAL903 2.9 56.2 1.0 O B:TYR36 2.9 55.5 1.0 OD2 B:ASP100 3.0 52.4 1.0 O3 B:GAL903 3.0 54.6 1.0 OD1 B:ASN107 3.0 57.0 1.0 OG1 B:THR104 3.2 59.7 1.0 CB B:THR104 3.5 54.5 1.0 C B:THR104 3.5 54.4 1.0 C B:TYR36 3.6 52.7 1.0 CG B:ASP100 3.7 54.1 1.0 OD1 B:ASP100 3.7 54.2 1.0 C4 B:GAL903 3.8 62.0 1.0 CG B:ASN108 3.8 50.1 1.0 C3 B:GAL903 3.9 60.8 1.0 CG B:ASN107 4.0 56.1 1.0 CA B:THR104 4.1 50.3 1.0 ND2 B:ASN108 4.2 49.0 1.0 N B:TYR105 4.2 52.8 1.0 CA B:TYR36 4.3 51.2 1.0 ND2 B:ASN107 4.3 55.1 1.0 C2 B:GAL903 4.5 60.3 1.0 N B:GLY37 4.5 51.6 1.0 CA B:TYR105 4.5 52.5 1.0 CB B:TYR36 4.5 49.6 1.0 CA B:GLY37 4.7 53.0 1.0 CG2 B:THR104 4.8 51.4 1.0 C B:TYR105 4.9 54.0 1.0 N B:ASN108 5.0 53.7 1.0

Calcium binding site 3 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


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 Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca901 b:50.4 occ:1.00 OD1 C:ASN108 2.8 44.5 1.0 O4 C:GAL903 2.8 43.5 1.0 O C:THR104 2.8 47.6 1.0 OD2 C:ASP100 2.9 47.4 1.0 O3 C:GAL903 2.9 45.5 1.0 OD1 C:ASN107 3.0 47.5 1.0 O C:TYR36 3.0 46.4 1.0 OG1 C:THR104 3.1 49.3 1.0 C C:THR104 3.4 45.9 1.0 CG C:ASP100 3.5 43.5 1.0 CB C:THR104 3.6 45.2 1.0 OD1 C:ASP100 3.6 41.5 1.0 C4 C:GAL903 3.6 44.6 1.0 C C:TYR36 3.8 46.6 1.0 C3 C:GAL903 3.8 46.6 1.0 CG C:ASN108 3.9 47.2 1.0 N C:TYR105 4.1 45.4 1.0 CG C:ASN107 4.1 47.3 1.0 CA C:THR104 4.1 49.1 1.0 CA C:TYR105 4.2 47.3 1.0 CA C:TYR36 4.3 45.0 1.0 ND2 C:ASN108 4.4 49.1 1.0 C2 C:GAL903 4.4 45.6 1.0 CB C:TYR36 4.5 44.0 1.0 ND2 C:ASN107 4.6 47.0 1.0 N C:GLY37 4.7 46.5 1.0 C C:TYR105 4.7 47.7 1.0 N C:ASN108 4.8 44.8 1.0 CB C:ASP100 4.8 42.6 1.0 CG2 C:THR104 4.9 45.4 1.0 N C:ASN107 5.0 47.1 1.0

Calcium binding site 4 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


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 Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca901 b:46.6 occ:1.00 O D:THR104 2.8 47.6 1.0 O4 D:GAL903 2.8 42.4 1.0 OD1 D:ASN108 2.8 45.2 1.0 O3 D:GAL903 2.9 43.6 1.0 OD2 D:ASP100 2.9 45.5 1.0 O D:TYR36 3.0 48.4 1.0 OD1 D:ASN107 3.1 45.8 1.0 OG1 D:THR104 3.4 47.1 1.0 C D:THR104 3.4 44.6 1.0 CG D:ASP100 3.5 43.6 1.0 OD1 D:ASP100 3.5 41.9 1.0 CB D:THR104 3.6 47.3 1.0 C4 D:GAL903 3.7 43.9 1.0 CG D:ASN108 3.7 46.7 1.0 C3 D:GAL903 3.8 45.5 1.0 C D:TYR36 3.9 47.7 1.0 ND2 D:ASN108 3.9 44.7 1.0 CG D:ASN107 4.1 48.6 1.0 N D:TYR105 4.2 43.2 1.0 CA D:THR104 4.2 47.6 1.0 C2 D:GAL903 4.3 45.0 1.0 CA D:TYR105 4.4 45.7 1.0 CA D:TYR36 4.4 44.5 1.0 CB D:TYR36 4.5 39.0 1.0 ND2 D:ASN107 4.6 47.6 1.0 CB D:ASP100 4.8 42.6 1.0 N D:GLY37 4.8 44.9 1.0 C D:TYR105 4.9 45.9 1.0 CG2 D:THR104 4.9 47.4 1.0

Calcium binding site 5 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca901 b:49.9 occ:1.00 OD1 E:ASN108 2.8 52.5 1.0 O3 E:GAL903 2.8 45.9 1.0 O E:TYR36 2.8 52.6 1.0 O E:THR104 2.9 54.6 1.0 O4 E:GAL903 2.9 46.4 1.0 OD1 E:ASN107 3.0 52.6 1.0 OD2 E:ASP100 3.0 48.2 1.0 C E:TYR36 3.4 49.6 1.0 ND2 E:ASN107 3.5 43.0 1.0 CG E:ASN107 3.5 47.8 1.0 C3 E:GAL903 3.7 49.4 1.0 C4 E:GAL903 3.8 51.0 1.0 CG E:ASP100 3.8 53.5 1.0 OD1 E:ASP100 3.9 50.6 1.0 C2 E:GAL903 3.9 48.4 1.0 CG E:ASN108 4.0 52.7 1.0 CA E:TYR36 4.0 48.2 1.0 OG1 E:THR104 4.0 51.7 1.0 C E:THR104 4.0 55.6 1.0 CB E:TYR36 4.2 48.8 1.0 N E:GLY37 4.2 47.6 1.0 CB E:THR104 4.2 54.8 1.0 O2 E:GAL903 4.4 47.9 1.0 CA E:GLY37 4.5 47.6 1.0 ND2 E:ASN108 4.5 52.5 1.0 CA E:THR104 4.8 55.6 1.0 N E:ASN108 4.8 47.1 1.0 CB E:ASN107 4.9 51.2 1.0 N E:TYR105 5.0 56.6 1.0 CD2 E:TYR36 5.0 47.9 1.0

Calcium binding site 6 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca901 b:41.3 occ:1.00 O F:THR104 2.8 51.5 1.0 O3 F:GAL903 2.9 52.4 1.0 OD2 F:ASP100 3.0 48.0 1.0 O4 F:GAL903 3.0 46.0 1.0 O F:TYR36 3.0 43.4 1.0 OD1 F:ASN108 3.0 49.1 1.0 OD1 F:ASN107 3.0 48.2 1.0 OG1 F:THR104 3.1 45.6 1.0 C F:THR104 3.4 45.2 1.0 CB F:THR104 3.5 42.3 1.0 CG F:ASP100 3.6 46.6 1.0 C4 F:GAL903 3.7 48.0 1.0 OD1 F:ASP100 3.7 42.8 1.0 CG F:ASN108 3.8 44.4 1.0 C F:TYR36 3.8 42.6 1.0 C3 F:GAL903 3.9 52.7 1.0 CG F:ASN107 3.9 51.0 1.0 ND2 F:ASN108 4.0 41.5 1.0 N F:TYR105 4.0 44.5 1.0 CA F:THR104 4.1 43.9 1.0 CA F:TYR105 4.2 44.6 1.0 ND2 F:ASN107 4.3 51.1 1.0 CA F:TYR36 4.5 42.7 1.0 C2 F:GAL903 4.6 49.3 1.0 N F:GLY37 4.7 40.8 1.0 C F:TYR105 4.7 44.3 1.0 CB F:TYR36 4.8 42.0 1.0 CA F:GLY37 4.9 44.7 1.0 CG2 F:THR104 4.9 39.9 1.0 N F:ASN108 4.9 43.8 1.0 N F:ASN107 4.9 42.9 1.0 CB F:ASP100 5.0 42.6 1.0

Calcium binding site 7 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca901 b:59.7 occ:1.00 O G:HOH1024 2.9 64.1 1.0 OD1 G:ASN108 2.9 56.3 1.0 O4 G:GAL903 2.9 55.6 1.0 OD2 G:ASP100 2.9 56.8 1.0 O G:THR104 3.0 58.6 1.0 OG1 G:THR104 3.0 56.0 1.0 OD1 G:ASP100 3.0 55.7 1.0 O G:TYR36 3.1 53.7 1.0 CG G:ASP100 3.3 54.8 1.0 C G:THR104 3.4 56.4 1.0 CB G:THR104 3.4 55.1 1.0 O3 G:GAL903 3.7 64.0 1.0 CG G:ASN108 3.7 52.0 1.0 ND2 G:ASN108 3.8 48.6 1.0 OD1 G:ASN107 3.8 60.9 1.0 C G:TYR36 3.9 52.4 1.0 C4 G:GAL903 4.0 60.0 1.0 N G:TYR105 4.0 53.6 1.0 CA G:THR104 4.1 52.9 1.0 CB G:TYR36 4.2 48.8 1.0 CA G:TYR36 4.2 51.3 1.0 CA G:TYR105 4.2 52.6 1.0 C3 G:GAL903 4.4 64.5 1.0 CB G:ASP100 4.6 49.5 1.0 CG2 G:THR104 4.8 55.5 1.0 C2 G:GAL903 4.8 61.0 1.0 C G:TYR105 4.9 55.0 1.0 CG G:ASN107 4.9 62.1 1.0 N G:GLY37 5.0 52.5 1.0

Calcium binding site 8 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca901 b:46.8 occ:1.00 OD1 H:ASN108 2.8 46.0 1.0 OD2 H:ASP100 2.8 51.0 1.0 O4 H:GAL903 2.8 51.4 1.0 O H:THR104 2.9 50.3 1.0 O H:TYR36 2.9 48.8 1.0 O3 H:GAL903 2.9 49.4 1.0 OD1 H:ASN107 3.0 49.6 1.0 OG1 H:THR104 3.1 52.0 1.0 C H:THR104 3.5 48.8 1.0 OD1 H:ASP100 3.5 48.5 1.0 CG H:ASP100 3.5 48.5 1.0 CB H:THR104 3.5 49.7 1.0 C4 H:GAL903 3.5 52.9 1.0 C3 H:GAL903 3.8 51.8 1.0 CG H:ASN108 3.8 46.6 1.0 C H:TYR36 3.8 49.6 1.0 CG H:ASN107 4.0 50.4 1.0 ND2 H:ASN108 4.1 45.8 1.0 CA H:THR104 4.2 49.2 1.0 N H:TYR105 4.2 48.0 1.0 CB H:TYR36 4.2 46.1 1.0 CA H:TYR36 4.2 45.9 1.0 ND2 H:ASN107 4.4 49.7 1.0 CA H:TYR105 4.4 47.0 1.0 C2 H:GAL903 4.4 47.6 1.0 O H:HOH1011 4.8 46.1 1.0 CG2 H:THR104 4.8 50.2 1.0 CB H:ASP100 4.9 44.2 1.0 N H:GLY37 4.9 49.2 1.0 C5 H:GAL903 5.0 52.4 1.0 C H:TYR105 5.0 46.1 1.0

Calcium binding site 9 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ I:Ca901 b:51.8 occ:1.00 O4 I:GAL903 2.8 50.4 1.0 O I:THR104 2.9 55.5 1.0 OD1 I:ASN107 2.9 54.4 1.0 OD2 I:ASP100 2.9 46.7 1.0 O3 I:GAL903 2.9 52.2 1.0 OD1 I:ASN108 2.9 52.9 1.0 O I:TYR36 2.9 52.9 1.0 OG1 I:THR104 3.2 51.8 1.0 CB I:THR104 3.5 52.2 1.0 C I:THR104 3.5 54.2 1.0 CG I:ASP100 3.6 47.5 1.0 OD1 I:ASP100 3.6 44.9 1.0 CG I:ASN108 3.7 52.9 1.0 C3 I:GAL903 3.8 52.9 1.0 C I:TYR36 3.8 48.1 1.0 C4 I:GAL903 3.8 53.9 1.0 CG I:ASN107 3.9 53.7 1.0 ND2 I:ASN108 4.0 52.0 1.0 C2 I:GAL903 4.1 48.7 1.0 CA I:THR104 4.2 53.1 1.0 ND2 I:ASN107 4.2 53.7 1.0 N I:TYR105 4.3 53.8 1.0 CA I:TYR36 4.3 45.2 1.0 CB I:TYR36 4.5 43.8 1.0 CA I:TYR105 4.5 51.1 1.0 N I:GLY37 4.7 48.5 1.0 O2 I:GAL903 4.8 51.7 1.0 CG2 I:THR104 4.8 50.5 1.0 N I:ASN108 4.9 50.4 1.0 CB I:ASP100 4.9 49.2 1.0

Calcium binding site 10 out of 12 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Chlorophenol Red-B-D-Galactopyranoside at 2.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ J:Ca901 b:60.0 occ:1.00 O4 J:GAL903 2.8 54.2 1.0 OD1 J:ASN108 2.8 58.7 1.0 OD2 J:ASP100 2.9 58.6 1.0 O3 J:GAL903 2.9 63.7 1.0 OD1 J:ASN107 2.9 62.0 1.0 O J:TYR36 2.9 65.1 1.0 O J:THR104 2.9 67.5 1.0 OG1 J:THR104 3.2 63.0 1.0 CB J:THR104 3.5 60.5 1.0 C J:TYR36 3.6 62.5 1.0 OD1 J:ASP100 3.6 54.9 1.0 CG J:ASP100 3.6 61.3 1.0 C J:THR104 3.7 61.8 1.0 C3 J:GAL903 3.7 64.2 1.0 C4 J:GAL903 3.8 61.6 1.0 CG J:ASN107 3.8 64.7 1.0 CG J:ASN108 3.9 61.7 1.0 ND2 J:ASN107 3.9 62.8 1.0 C2 J:GAL903 3.9 62.5 1.0 CA J:TYR36 4.2 60.5 1.0 CA J:THR104 4.3 60.5 1.0 ND2 J:ASN108 4.3 59.5 1.0 CB J:TYR36 4.4 59.1 1.0 N J:GLY37 4.4 61.5 1.0 N J:TYR105 4.5 61.6 1.0 O2 J:GAL903 4.6 64.3 1.0 CA J:GLY37 4.7 60.7 1.0 CG2 J:THR104 4.8 57.2 1.0 CA J:TYR105 4.8 60.0 1.0

R.U.Kadam, D.Garg, J.Schwartz, R.Visini, M.Sattler, A.Stocker, T.Darbre, J.L.Reymond. Ch-Pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas Aeruginosa Lectin Leca Acs Chem.Biol. V. 8 1925 2013.
ISSN: ISSN 1554-8929
PubMed: 23869965
DOI: 10.1021/CB400303W