Calcium in PDB 1oko: Crystal Structure of Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 A Resolution

The structure of Crystal Structure of Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 A Resolution, PDB code: 1oko was solved by G.Cioci, E.Mitchell, C.Gautier, M.Wimmerova, S.Perez, N.Gilboa-Garber, A.Imberty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.60 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.057, 53.275, 160.675, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 18.7

The binding sites of Calcium atom in the Crystal Structure of Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 A Resolution (pdb code 1oko). 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 Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 A Resolution, PDB code: 1oko:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 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 1 Complexed with Galactose at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca900 b:8.3 occ:1.00 O A:THR104 2.3 10.9 1.0 O A:TYR36 2.3 10.3 1.0 OD1 A:ASN108 2.4 11.1 1.0 OD2 A:ASP100 2.4 7.7 1.0 O3 A:GAL901 2.5 13.3 1.0 OD1 A:ASN107 2.5 12.1 1.0 O4 A:GAL901 2.5 9.6 1.0 C A:TYR36 3.4 9.8 1.0 C4 A:GAL901 3.4 13.6 1.0 C3 A:GAL901 3.4 14.5 1.0 C A:THR104 3.4 10.3 1.0 CG A:ASP100 3.5 8.1 1.0 CG A:ASN108 3.5 9.1 1.0 CG A:ASN107 3.5 10.5 1.0 OG1 A:THR104 3.7 10.1 1.0 OD1 A:ASP100 3.8 8.6 1.0 CB A:THR104 3.9 11.8 1.0 C2 A:GAL901 3.9 15.2 1.0 ND2 A:ASN107 4.0 12.2 1.0 ND2 A:ASN108 4.0 8.2 1.0 CA A:TYR36 4.0 9.1 1.0 CB A:TYR36 4.2 9.4 1.0 CA A:THR104 4.3 11.5 1.0 N A:TYR105 4.3 9.9 1.0 CA A:TYR105 4.4 10.2 1.0 N A:GLY37 4.4 9.6 1.0 O A:HOH2129 4.5 21.5 1.0 O2 A:GAL901 4.5 18.1 1.0 N A:ASN108 4.6 8.4 1.0 CA A:GLY37 4.7 11.2 1.0 C5 A:GAL901 4.7 14.3 1.0 C A:ASN107 4.7 9.2 1.0 C A:TYR105 4.8 10.7 1.0 O A:HOH2113 4.8 29.7 1.0 CB A:ASP100 4.8 8.3 1.0 CB A:ASN108 4.8 7.9 1.0 CB A:ASN107 4.8 11.1 1.0 N A:ASN107 4.9 11.3 1.0 CA A:ASN108 5.0 9.3 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 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 1 Complexed with Galactose at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca900 b:9.4 occ:1.00 O B:TYR36 2.3 12.0 1.0 OD1 B:ASN108 2.3 11.1 1.0 O B:THR104 2.3 13.3 1.0 OD1 B:ASN107 2.4 10.7 1.0 O3 B:GLA901 2.5 11.5 0.4 O3 B:GAL902 2.5 11.5 0.6 OD2 B:ASP100 2.5 10.6 1.0 O4 B:GLA901 2.5 12.2 0.4 O4 B:GAL902 2.5 12.2 0.6 C B:TYR36 3.3 11.6 1.0 C3 B:GLA901 3.3 13.7 0.4 C3 B:GAL902 3.3 13.7 0.6 CG B:ASN108 3.4 10.8 1.0 C4 B:GLA901 3.4 13.1 0.4 C4 B:GAL902 3.4 13.1 0.6 C B:THR104 3.4 14.2 1.0 CG B:ASN107 3.5 12.0 1.0 CG B:ASP100 3.5 11.1 1.0 OG1 B:THR104 3.7 15.7 1.0 OD1 B:ASP100 3.8 12.6 1.0 ND2 B:ASN108 3.8 7.1 1.0 ND2 B:ASN107 3.9 12.7 1.0 C2 B:GLA901 3.9 16.0 0.4 C2 B:GAL902 3.9 16.0 0.6 CA B:TYR36 3.9 10.2 1.0 CB B:THR104 4.0 14.6 1.0 CB B:TYR36 4.2 10.8 1.0 N B:TYR105 4.3 14.1 1.0 CA B:THR104 4.3 14.0 1.0 N B:GLY37 4.4 12.3 1.0 O B:HOH2100 4.4 21.9 1.0 CA B:TYR105 4.4 13.2 1.0 O2 B:GLA901 4.6 17.4 0.4 O2 B:GAL902 4.6 17.4 0.6 N B:ASN108 4.7 11.3 1.0 CB B:ASN108 4.7 11.0 1.0 CA B:GLY37 4.7 12.8 1.0 C5 B:GLA901 4.8 15.6 0.4 C5 B:GAL902 4.8 15.6 0.6 C B:TYR105 4.8 13.6 1.0 C B:ASN107 4.8 12.9 1.0 CB B:ASN107 4.8 12.8 1.0 N B:ASN107 4.8 13.1 1.0 O B:HOH2083 4.9 19.9 1.0 CB B:ASP100 4.9 9.5 1.0 CA B:ASN108 4.9 11.3 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 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 1 Complexed with Galactose at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca900 b:8.0 occ:1.00 O C:THR104 2.3 8.3 1.0 OD1 C:ASN108 2.4 8.7 1.0 O C:TYR36 2.4 10.3 1.0 OD1 C:ASN107 2.4 8.3 1.0 O3 C:GLA901 2.4 9.0 0.4 O3 C:GAL902 2.4 9.0 0.6 OD2 C:ASP100 2.5 6.1 1.0 O4 C:GLA901 2.5 10.3 0.4 O4 C:GAL902 2.5 10.3 0.6 C3 C:GLA901 3.4 11.1 0.4 C3 C:GAL902 3.4 11.1 0.6 C C:TYR36 3.4 9.2 1.0 C4 C:GLA901 3.4 11.5 0.4 C4 C:GAL902 3.4 11.5 0.6 C C:THR104 3.4 9.3 1.0 CG C:ASN108 3.5 6.6 1.0 CG C:ASN107 3.5 11.6 1.0 CG C:ASP100 3.6 8.6 1.0 OG1 C:THR104 3.7 11.6 1.0 OD1 C:ASP100 3.9 8.0 1.0 ND2 C:ASN107 3.9 8.3 1.0 CB C:THR104 3.9 10.8 1.0 ND2 C:ASN108 3.9 6.1 1.0 C2 C:GLA901 3.9 12.2 0.4 C2 C:GAL902 3.9 12.2 0.6 CA C:TYR36 4.0 8.5 1.0 CB C:TYR36 4.1 7.8 1.0 CA C:THR104 4.3 10.5 1.0 N C:TYR105 4.3 9.6 1.0 CA C:TYR105 4.4 9.5 1.0 O C:HOH2119 4.5 21.9 1.0 N C:GLY37 4.5 10.9 1.0 N C:ASN108 4.5 7.6 1.0 O2 C:GLA901 4.6 14.9 0.4 O2 C:GAL902 4.6 14.9 0.6 C C:TYR105 4.7 9.1 1.0 C C:ASN107 4.7 9.0 1.0 CB C:ASN108 4.8 6.3 1.0 CB C:ASN107 4.8 8.2 1.0 C5 C:GLA901 4.8 10.1 0.4 C5 C:GAL902 4.8 10.1 0.6 N C:ASN107 4.8 8.4 1.0 CA C:GLY37 4.8 11.8 1.0 O C:HOH2104 4.8 25.4 1.0 CB C:ASP100 4.9 7.1 1.0 CA C:ASN108 4.9 7.8 1.0 CA C:ASN107 5.0 8.8 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin 1 Complexed with Galactose at 1.6 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 1 Complexed with Galactose at 1.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca900 b:8.3 occ:1.00 O D:THR104 2.3 9.7 1.0 O D:TYR36 2.3 7.9 1.0 OD2 D:ASP100 2.4 6.7 1.0 OD1 D:ASN108 2.4 6.0 1.0 O4 D:GLA901 2.5 9.6 0.4 O4 D:GAL902 2.5 9.6 0.6 OD1 D:ASN107 2.5 8.6 1.0 O3 D:GLA901 2.5 10.7 0.4 O3 D:GAL902 2.5 10.7 0.6 C D:TYR36 3.4 7.9 1.0 C4 D:GLA901 3.4 9.2 0.4 C4 D:GAL902 3.4 9.2 0.6 C3 D:GLA901 3.4 9.1 0.4 C3 D:GAL902 3.4 9.1 0.6 CG D:ASP100 3.4 6.2 1.0 C D:THR104 3.5 9.4 1.0 CG D:ASN108 3.5 9.0 1.0 CG D:ASN107 3.6 9.5 1.0 OG1 D:THR104 3.6 11.3 1.0 OD1 D:ASP100 3.7 8.4 1.0 C2 D:GLA901 3.9 9.1 0.4 C2 D:GAL902 3.9 9.1 0.6 CB D:THR104 3.9 11.4 1.0 ND2 D:ASN108 3.9 8.7 1.0 CA D:TYR36 4.0 7.3 1.0 ND2 D:ASN107 4.0 11.1 1.0 CB D:TYR36 4.1 7.6 1.0 CA D:TYR105 4.3 8.3 1.0 N D:TYR105 4.3 7.9 1.0 CA D:THR104 4.4 10.2 1.0 N D:GLY37 4.4 8.2 1.0 N D:ASN108 4.6 7.8 1.0 O D:HOH2120 4.7 25.6 1.0 O2 D:GLA901 4.7 13.9 0.4 O2 D:GAL902 4.7 13.9 0.6 CA D:GLY37 4.7 8.6 1.0 C5 D:GLA901 4.7 10.6 0.4 C5 D:GAL902 4.7 10.6 0.6 C D:TYR105 4.7 8.0 1.0 CB D:ASN108 4.8 7.0 1.0 C D:ASN107 4.8 7.9 1.0 CB D:ASP100 4.8 7.3 1.0 N D:ASN107 4.8 9.7 1.0 CB D:ASN107 4.9 8.8 1.0 CA D:ASN108 4.9 8.4 1.0

G.Cioci, E.Mitchell, C.Gautier, M.Wimmerova, D.Sudakevitz, S.Perez, N.Gilboa-Garber, A.Imberty. Structural Basis of Calcium and Galactose Recognition By the Lectin Pa-Il of Pseudomonas Aeruginosa Febs Lett. V. 555 297 2003.
ISSN: ISSN 0014-5793
PubMed: 14644431
DOI: 10.1016/S0014-5793(03)01249-3