Calcium in PDB 3rbh: Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa

The structure of Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa, PDB code: 3rbh was solved by J.C.Whitney, I.D.Hay, C.Li, P.D.Eckford, H.Robinson, M.F.Amaya, L.F.Wood, D.E.Ohman, C.E.Bear, B.H.Rehm, P.L.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.76 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.018, 90.696, 160.279, 90.00, 107.65, 90.00
R / Rfree (%)	22.1 / 25.9

The binding sites of Calcium atom in the Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa (pdb code 3rbh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa, PDB code: 3rbh:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca4 b:65.9 occ:1.00 O A:ALA61 2.6 64.5 1.0 O A:HOH563 2.6 45.0 1.0 OD2 A:ASP55 2.6 57.2 1.0 O A:GLY63 2.6 77.4 1.0 OD1 A:ASP57 2.8 55.6 1.0 OD2 A:ASP57 2.9 68.8 1.0 OD1 A:ASP55 3.0 47.6 1.0 CG A:ASP57 3.2 59.3 1.0 CG A:ASP55 3.2 48.5 1.0 C A:GLY63 3.5 73.3 1.0 C A:ALA61 3.7 64.7 1.0 N A:GLY63 3.9 76.5 1.0 C A:PRO62 4.2 73.4 1.0 CA A:GLY63 4.3 74.9 1.0 N A:GLY64 4.3 66.5 1.0 CA A:GLY59 4.4 65.3 1.0 N A:ALA61 4.4 59.9 1.0 CA A:GLY64 4.4 53.4 1.0 N A:GLY59 4.5 62.2 1.0 CA A:PRO62 4.5 78.5 1.0 N A:PRO62 4.6 80.2 1.0 CA A:ALA61 4.7 57.2 1.0 CB A:ASP57 4.7 37.8 1.0 CB A:ASP55 4.7 49.7 1.0 O A:PRO62 4.7 59.5 1.0 CG2 A:THR65 4.8 47.6 1.0 N A:THR60 4.8 62.2 1.0 O A:HOH637 4.8 44.0 1.0 C A:GLY59 4.9 66.2 1.0 C A:GLY64 5.0 56.6 1.0

Calcium binding site 2 out of 4 in the Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2 b:61.4 occ:1.00 O B:GLY63 2.5 77.4 1.0 O B:ALA61 2.6 62.5 1.0 OD2 B:ASP55 2.7 57.9 1.0 OD2 B:ASP57 2.8 67.5 1.0 OD1 B:ASP57 2.8 63.6 1.0 O B:HOH621 2.8 70.3 1.0 O B:HOH597 2.8 66.3 1.0 OD1 B:ASP55 3.0 47.4 1.0 CG B:ASP57 3.1 63.5 1.0 CG B:ASP55 3.2 48.7 1.0 C B:GLY63 3.3 71.5 1.0 C B:ALA61 3.7 65.7 1.0 N B:GLY63 3.7 75.6 1.0 C B:PRO62 4.0 72.5 1.0 N B:GLY64 4.1 62.8 1.0 CA B:GLY63 4.1 74.8 1.0 CA B:GLY64 4.2 55.5 1.0 CA B:PRO62 4.4 79.8 1.0 N B:ALA61 4.5 59.5 1.0 N B:PRO62 4.5 79.0 1.0 O B:PRO62 4.5 52.6 1.0 CA B:GLY59 4.6 64.2 1.0 N B:GLY59 4.6 64.6 1.0 CB B:ASP57 4.6 36.6 1.0 CA B:ALA61 4.7 59.8 1.0 CB B:ASP55 4.7 48.0 1.0 CG2 B:THR65 4.7 47.5 1.0 C B:GLY64 4.8 58.5 1.0 N B:THR60 4.9 58.2 1.0 O B:HOH585 4.9 47.9 1.0

Calcium binding site 3 out of 4 in the Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca3 b:71.7 occ:1.00 OD2 C:ASP55 2.5 55.3 1.0 O C:ALA61 2.6 70.2 1.0 OD1 C:ASP57 2.7 59.1 1.0 O C:HOH627 2.7 55.6 1.0 O C:GLY63 2.8 79.3 1.0 OD2 C:ASP57 3.0 72.2 1.0 OD1 C:ASP55 3.0 50.4 1.0 CG C:ASP55 3.1 52.7 1.0 CG C:ASP57 3.2 60.3 1.0 O C:HOH622 3.3 61.1 1.0 C C:GLY63 3.8 73.2 1.0 C C:ALA61 3.8 63.8 1.0 N C:GLY63 4.1 70.9 1.0 CA C:GLY59 4.1 61.5 1.0 N C:GLY59 4.3 65.1 1.0 C C:PRO62 4.4 72.8 1.0 N C:ALA61 4.4 58.6 1.0 CA C:GLY63 4.6 72.7 1.0 N C:GLY64 4.6 63.4 1.0 CB C:ASP55 4.6 49.8 1.0 N C:THR60 4.6 62.6 1.0 CA C:PRO62 4.6 80.8 1.0 CA C:GLY64 4.7 54.5 1.0 C C:GLY59 4.7 64.6 1.0 N C:PRO62 4.7 80.2 1.0 CA C:ALA61 4.7 51.4 1.0 CB C:ASP57 4.7 40.9 1.0 O C:HOH602 4.7 51.9 1.0 CG2 C:THR65 4.8 46.2 1.0 O C:PRO62 4.9 57.6 1.0

Calcium binding site 4 out of 4 in the Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Alginate Export Protein Alge From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1 b:58.9 occ:1.00 O D:GLY63 2.6 77.0 1.0 OD2 D:ASP55 2.6 54.6 1.0 O D:ALA61 2.6 64.7 1.0 OD1 D:ASP57 2.7 54.9 1.0 O D:HOH621 2.7 44.9 1.0 OD2 D:ASP57 2.8 67.1 1.0 O D:HOH620 2.8 48.5 1.0 OD1 D:ASP55 2.9 49.8 1.0 CG D:ASP57 3.1 61.5 1.0 CG D:ASP55 3.1 49.3 1.0 C D:GLY63 3.4 72.1 1.0 C D:ALA61 3.8 65.3 1.0 N D:GLY63 3.9 73.0 1.0 C D:PRO62 4.2 70.3 1.0 N D:GLY64 4.2 62.4 1.0 CA D:GLY63 4.3 72.2 1.0 CA D:GLY64 4.3 49.3 1.0 CA D:GLY59 4.4 57.7 1.0 N D:ALA61 4.4 60.0 1.0 N D:GLY59 4.5 59.5 1.0 CA D:PRO62 4.5 78.3 1.0 CB D:ASP57 4.6 40.2 1.0 N D:PRO62 4.6 78.7 1.0 CB D:ASP55 4.6 47.6 1.0 O D:PRO62 4.6 55.6 1.0 CA D:ALA61 4.7 55.7 1.0 CG2 D:THR65 4.7 47.1 1.0 N D:THR60 4.8 50.4 1.0 C D:GLY64 4.9 53.8 1.0 C D:GLY59 4.9 63.8 1.0 N D:ASP57 5.0 42.6 1.0

J.C.Whitney, I.D.Hay, C.Li, P.D.Eckford, H.Robinson, M.F.Amaya, L.F.Wood, D.E.Ohman, C.E.Bear, B.H.Rehm, P.Lynne Howell. Structural Basis For Alginate Secretion Across the Bacterial Outer Membrane. Proc.Natl.Acad.Sci.Usa V. 108 13083 2011.
ISSN: ISSN 0027-8424
PubMed: 21778407
DOI: 10.1073/PNAS.1104984108