Calcium in PDB 5uve: Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus

The structure of Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus, PDB code: 5uve was solved by Y.Kim, G.Chhor, M.Endres, J.Hero, G.Babnigg, S.Crosson, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.78 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	82.602, 92.738, 95.124, 95.19, 110.87, 111.35
R / Rfree (%)	22.6 / 27.7

The binding sites of Calcium atom in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus (pdb code 5uve). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus, PDB code: 5uve:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:47.1 occ:1.00 O H:GLY286 2.2 50.2 1.0 OG1 A:THR192 2.4 73.2 1.0 O A:THR192 2.5 48.6 1.0 C H:GLY286 3.4 50.4 1.0 C A:THR192 3.5 46.3 1.0 CB A:THR192 3.5 50.9 1.0 O H:HOH504 3.8 33.9 1.0 CA A:THR192 4.0 48.4 1.0 CA H:GLY286 4.1 45.2 1.0 N A:THR192 4.3 46.7 1.0 N H:GLU287 4.5 51.2 1.0 CD H:PRO288 4.5 42.4 1.0 N H:PRO288 4.6 44.4 1.0 CG H:PRO288 4.6 41.2 1.0 C H:GLU287 4.6 51.6 1.0 CA H:GLU287 4.7 53.2 1.0 N A:LEU193 4.7 47.1 1.0 CG2 A:THR192 4.8 45.3 1.0

Calcium binding site 2 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:47.4 occ:1.00 O D:GLY286 2.4 40.2 1.0 O B:THR192 2.4 50.7 1.0 OG1 B:THR192 2.5 58.0 1.0 O D:HOH507 3.0 36.4 1.0 C B:THR192 3.4 51.4 1.0 C D:GLY286 3.5 44.1 1.0 CB B:THR192 3.5 45.5 1.0 CA B:THR192 3.8 45.1 1.0 N B:THR192 4.0 45.4 1.0 CA D:GLY286 4.1 48.3 1.0 N B:LEU193 4.6 47.9 1.0 O D:HOH506 4.6 41.9 1.0 N D:GLU287 4.6 38.8 1.0 CD D:PRO288 4.7 41.9 1.0 CG D:PRO288 4.8 44.8 1.0 CG2 B:THR192 4.8 40.7 1.0 CA D:GLU287 4.9 50.6 1.0 N D:PRO288 4.9 39.6 1.0 C D:GLU287 5.0 45.9 1.0

Calcium binding site 3 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:52.6 occ:1.00 O F:GLY286 2.4 54.9 1.0 O C:THR192 2.6 51.9 1.0 OG1 C:THR192 2.6 55.6 1.0 C F:GLY286 3.6 44.8 1.0 C C:THR192 3.6 41.1 1.0 CB C:THR192 3.7 42.6 1.0 CA C:THR192 4.0 38.2 1.0 CA F:GLY286 4.2 46.2 1.0 N C:THR192 4.2 39.3 1.0 CD F:PRO288 4.6 47.4 1.0 N F:GLU287 4.6 38.7 1.0 CG F:PRO288 4.7 43.0 1.0 N C:LEU193 4.7 39.1 1.0 CA F:GLU287 4.8 38.2 1.0 N F:PRO288 4.8 48.3 1.0 C F:GLU287 4.9 37.5 1.0 CG2 C:THR192 4.9 45.5 1.0

Calcium binding site 4 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca401 b:50.4 occ:1.00 O D:HOH503 2.2 51.8 1.0 OG1 D:THR192 2.4 34.4 1.0 O D:THR192 2.6 47.2 1.0 O B:GLY286 2.6 61.4 1.0 O B:HOH508 2.9 42.9 1.0 CB D:THR192 3.5 39.2 1.0 C D:THR192 3.5 44.4 1.0 C B:GLY286 3.7 54.0 1.0 CA D:THR192 4.0 36.1 1.0 N D:THR192 4.3 31.6 1.0 CA B:GLY286 4.3 50.8 1.0 N D:LEU193 4.7 46.3 1.0 CD B:PRO288 4.7 44.7 1.0 CG B:PRO288 4.8 44.9 1.0 CG2 D:THR192 4.8 33.1 1.0 N B:GLU287 4.8 50.0 1.0 N B:PRO288 4.9 44.4 1.0

Calcium binding site 5 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca401 b:49.6 occ:1.00 OG1 E:THR192 2.4 49.4 1.0 O G:GLY286 2.5 44.2 1.0 O G:HOH511 2.5 40.4 1.0 O E:THR192 2.6 66.3 1.0 CB E:THR192 3.5 47.6 1.0 C E:THR192 3.6 51.5 1.0 C G:GLY286 3.6 45.8 1.0 CA E:THR192 3.9 46.7 1.0 N E:THR192 4.1 44.9 1.0 CA G:GLY286 4.3 55.9 1.0 CD G:PRO288 4.7 43.4 1.0 N G:GLU287 4.7 46.0 1.0 CG G:PRO288 4.7 44.5 1.0 N E:LEU193 4.8 50.7 1.0 CG2 E:THR192 4.8 48.6 1.0 N G:PRO288 4.9 48.6 1.0 CA G:GLU287 4.9 52.3 1.0 C G:GLU287 5.0 60.3 1.0

Calcium binding site 6 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca401 b:43.7 occ:1.00 O C:GLY286 2.4 40.1 1.0 OG1 F:THR192 2.4 36.8 1.0 O F:THR192 2.5 50.2 1.0 C C:GLY286 3.5 47.5 1.0 C F:THR192 3.5 45.0 1.0 CB F:THR192 3.5 35.2 1.0 CA F:THR192 3.9 34.1 1.0 CA C:GLY286 4.0 42.3 1.0 N F:THR192 4.1 34.3 1.0 N C:GLU287 4.6 43.1 1.0 CD C:PRO288 4.6 40.4 1.0 N F:LEU193 4.7 40.0 1.0 CG C:PRO288 4.7 41.4 1.0 CG2 F:THR192 4.8 34.7 1.0 CA C:GLU287 4.9 41.8 1.0 N C:PRO288 4.9 39.1 1.0 C C:GLU287 5.0 40.6 1.0

Calcium binding site 7 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca401 b:57.6 occ:1.00 O E:GLY286 2.4 55.4 1.0 OG1 G:THR192 2.4 56.5 1.0 O G:THR192 2.6 58.6 1.0 C G:THR192 3.5 53.1 1.0 CB G:THR192 3.6 39.8 1.0 C E:GLY286 3.6 50.6 1.0 CA G:THR192 3.9 46.9 1.0 N G:THR192 4.2 39.5 1.0 CA E:GLY286 4.3 54.8 1.0 CD E:PRO288 4.4 50.0 1.0 CG E:PRO288 4.5 50.8 1.0 N E:GLU287 4.6 48.5 1.0 N G:LEU193 4.7 50.9 1.0 N E:PRO288 4.7 46.9 1.0 CA E:GLU287 4.8 51.0 1.0 CG2 G:THR192 4.8 35.9 1.0 C E:GLU287 4.9 46.5 1.0

Calcium binding site 8 out of 8 in the Crystal Structure of the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus


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 the Abc Transporter Substrate-Binding Protein BAB1_0226 From Brucella Abortus within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca401 b:46.3 occ:1.00 OG1 H:THR192 2.5 71.7 1.0 O A:GLY286 2.6 43.3 1.0 O H:THR192 2.8 46.8 1.0 C A:GLY286 3.8 42.8 1.0 C H:THR192 3.8 49.0 1.0 CB H:THR192 3.8 45.5 1.0 CA H:THR192 4.2 44.9 1.0 N H:THR192 4.4 42.9 1.0 CA A:GLY286 4.5 43.4 1.0 CG A:PRO288 4.5 55.9 1.0 CD A:PRO288 4.5 49.9 1.0 CG2 H:THR192 4.6 47.3 1.0 N A:PRO288 4.7 45.2 1.0 N A:GLU287 4.8 41.9 1.0 C A:GLU287 4.8 48.3 1.0 CA A:GLU287 4.9 46.9 1.0 N H:LEU193 5.0 45.6 1.0

Y.Kim, L.Bigelow, M.Endres, G.Babnigg, S.Crosson, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of Beta-Barrel-Like Protein of Unknown Function To Be Published.