Calcium in PDB 6vbf: 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii

The structure of 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii, PDB code: 6vbf was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, G.Wiersum, K.J.F.Satchell, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.39 / 1.85
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	51.819, 51.819, 194.504, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 21.6

The structure of 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii (pdb code 6vbf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii, PDB code: 6vbf:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:46.1 occ:1.00 OD1 A:ASP15 2.3 51.0 1.0 OD2 A:ASP58 2.3 53.4 1.0 O A:HOH328 2.3 49.1 1.0 O A:HOH310 2.3 42.4 1.0 O A:MSE60 2.4 43.4 1.0 CG A:ASP15 3.3 52.0 1.0 CG A:ASP58 3.3 45.5 1.0 C A:MSE60 3.5 40.0 1.0 OD1 A:ASP58 3.6 51.8 1.0 OD2 A:ASP15 3.7 52.4 1.0 CB A:MSE60 3.7 41.9 1.0 OE2 A:GLU14 4.1 42.5 1.0 CA A:MSE60 4.1 37.6 1.0 O A:HOH312 4.2 48.0 1.0 CB A:ASP58 4.5 38.8 1.0 CB A:ASP15 4.5 49.8 1.0 N A:MSE60 4.5 35.0 1.0 N A:LEU61 4.6 38.2 1.0 N A:ASP15 4.6 41.5 1.0 NZ A:LYS107 4.8 44.1 1.0 CA A:LEU61 4.9 38.5 1.0 N A:ASP16 4.9 46.1 1.0 CD2 A:LEU61 4.9 33.6 1.0 CG A:MSE60 5.0 46.2 1.0

Calcium binding site 2 out of 4 in the 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:41.8 occ:0.70 O A:LEU61 2.3 43.9 1.0 O A:HOH355 2.3 54.3 1.0 O A:GLY63 2.4 47.0 1.0 O A:HOH335 2.4 46.5 1.0 O A:HOH325 3.3 49.1 1.0 C A:LEU61 3.5 42.3 1.0 C A:GLY63 3.6 43.1 1.0 N A:GLY63 3.7 41.1 1.0 C A:PRO62 3.9 43.1 1.0 CA A:PRO62 4.1 45.9 1.0 CA A:GLY63 4.2 41.0 1.0 N A:PRO62 4.2 41.9 1.0 N A:ASP65 4.4 31.6 1.0 C A:ALA64 4.5 32.0 1.0 N A:LEU61 4.5 38.2 1.0 O A:PRO62 4.5 39.4 1.0 CA A:LEU61 4.6 38.5 1.0 O A:HOH368 4.6 51.5 1.0 N A:ALA64 4.6 36.1 1.0 CA A:ASP65 4.7 32.4 1.0 O A:ALA64 4.7 31.5 1.0 CA A:ALA64 4.9 33.9 1.0 CB A:ASP65 4.9 35.9 1.0

Calcium binding site 3 out of 4 in the 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:46.0 occ:0.70 OD2 B:ASP58 2.3 59.8 1.0 O B:HOH304 2.3 47.1 0.5 O B:HOH352 2.3 40.1 0.5 O B:MSE60 2.3 56.3 1.0 O B:HOH312 2.4 43.4 0.5 OD1 B:ASP15 2.4 64.2 1.0 CG B:ASP15 3.0 62.2 1.0 OD2 B:ASP15 3.1 67.4 1.0 CG B:ASP58 3.3 48.8 1.0 C B:MSE60 3.5 54.7 1.0 OD1 B:ASP58 3.8 55.2 1.0 CB B:MSE60 3.9 64.9 1.0 CA B:MSE60 4.1 55.9 1.0 OE2 B:GLU14 4.2 47.4 1.0 CB B:ASP15 4.4 60.2 1.0 N B:MSE60 4.4 51.6 1.0 CB B:ASP58 4.5 44.9 1.0 N B:LEU61 4.6 52.1 1.0 N B:ASP15 4.7 49.4 1.0 CA B:LEU61 4.9 50.9 1.0

Calcium binding site 4 out of 4 in the 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:42.4 occ:0.50 O B:LEU61 2.3 58.1 1.0 O B:HOH328 2.3 50.1 1.0 O B:GLY63 2.3 56.7 1.0 O B:HOH357 2.4 41.8 0.5 OD1 B:ASP65 2.4 59.0 1.0 CG B:ASP65 3.5 58.4 1.0 C B:GLY63 3.5 56.5 1.0 C B:LEU61 3.6 54.8 1.0 N B:GLY63 3.7 56.4 1.0 C B:PRO62 4.0 57.5 1.0 OD2 B:ASP65 4.1 64.0 1.0 CA B:GLY63 4.2 56.3 1.0 CA B:PRO62 4.3 58.8 1.0 N B:ASP65 4.3 45.2 1.0 N B:LEU61 4.4 52.1 1.0 N B:PRO62 4.4 55.0 1.0 C B:ALA64 4.5 47.0 1.0 CB B:ASP65 4.5 49.2 1.0 CA B:LEU61 4.6 50.9 1.0 CA B:ASP65 4.6 45.2 1.0 N B:ALA64 4.6 54.0 1.0 O B:PRO62 4.7 53.4 1.0 O B:ALA64 4.8 43.1 1.0 O B:HOH301 4.8 26.6 0.4 CA B:ALA64 4.9 49.8 1.0

G.Minasov, L.Shuvalova, O.Kiryukhina, G.Wiersum, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.85 Angstrom Resolution Crystal Structure of N-Terminal Domain of Two-Component System Response Regulator From Acinetobacter Baumannii To Be Published.