Calcium in PDB 4nvr: 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica

The structure of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica, PDB code: 4nvr was solved by G.Minasov, Z.Wawrzak, T.Skarina, E.Gordon, J.Stam, K.Kwon, A.Savchenko, W.F.Anderson, Center For 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)	28.63 / 2.22
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.931, 71.380, 90.327, 113.03, 92.41, 90.09
R / Rfree (%)	18.1 / 24.1

The structure of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica (pdb code 4nvr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica, PDB code: 4nvr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:28.3 occ:1.00 OE1 A:GLU268 2.3 38.5 1.0 OE2 A:GLU268 2.3 41.8 1.0 O A:THR238 2.3 36.4 1.0 OG1 A:THR238 2.3 35.3 1.0 O A:HOH633 2.4 27.6 1.0 O A:HOH631 2.4 18.8 0.7 CD A:GLU268 2.4 38.9 1.0 O A:HOH632 2.5 39.0 1.0 O A:HOH598 2.5 48.1 1.0 O A:HOH631 3.1 9.2 0.3 C A:THR238 3.3 35.3 1.0 CB A:THR238 3.6 34.9 1.0 CA A:THR238 3.8 34.3 1.0 CG A:GLU268 4.0 37.8 1.0 O A:HOH562 4.3 22.4 1.0 CG2 A:THR238 4.4 35.7 1.0 N A:SER239 4.4 36.5 0.3 N A:SER239 4.4 36.7 0.7 NZ A:LYS269 4.5 31.2 1.0 O A:GLU268 4.5 33.7 1.0 CA A:SER239 4.8 37.3 0.3 CA A:SER239 4.9 37.7 0.7 CB A:GLU268 5.0 35.9 1.0 CD A:LYS269 5.0 31.5 1.0

Calcium binding site 2 out of 5 in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:28.4 occ:1.00 OE2 B:GLU268 2.3 44.5 1.0 OE1 B:GLU268 2.3 40.9 1.0 O B:THR238 2.3 36.8 1.0 OG1 B:THR238 2.3 36.2 1.0 O B:HOH654 2.4 35.6 1.0 CD B:GLU268 2.4 40.7 1.0 O B:HOH586 2.5 24.5 1.0 O B:HOH644 2.6 30.0 1.0 O B:HOH652 2.6 35.8 1.0 C B:THR238 3.2 35.5 1.0 CB B:THR238 3.5 34.8 1.0 CA B:THR238 3.7 34.3 1.0 CG B:GLU268 4.0 39.8 1.0 O B:HOH583 4.3 20.2 1.0 NZ B:LYS269 4.3 34.2 1.0 CG2 B:THR238 4.3 36.2 1.0 N B:SER239 4.3 36.5 1.0 O B:GLU268 4.4 33.8 1.0 CD B:LYS269 4.7 33.0 1.0 CA B:SER239 4.8 37.3 1.0 O B:ALA240 4.9 34.7 1.0 CE B:LYS269 4.9 33.0 1.0 CB B:GLU268 4.9 37.2 1.0

Calcium binding site 3 out of 5 in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:51.2 occ:1.00 O C:HOH516 2.2 23.8 1.0 O C:LEU192 2.3 25.5 1.0 O C:SER189 2.3 27.4 1.0 O C:HOH632 2.4 31.0 1.0 C C:SER189 3.5 20.1 1.0 C C:LEU192 3.5 21.7 1.0 OE2 C:GLU195 3.6 43.2 1.0 CA C:SER189 4.3 19.9 1.0 CA C:LYS193 4.4 24.2 1.0 N C:LYS193 4.4 22.7 1.0 N C:GLY190 4.5 20.9 1.0 CA C:LEU192 4.5 20.8 1.0 CD C:LYS193 4.5 27.4 1.0 CA C:GLY190 4.6 21.6 1.0 N C:LEU192 4.6 19.4 1.0 NZ C:LYS193 4.6 29.4 1.0 C C:GLY190 4.7 22.9 1.0 CB C:LEU192 4.7 19.6 1.0 CD C:GLU195 4.8 38.0 1.0 CB C:SER189 4.8 20.1 1.0 O C:GLY190 4.8 25.2 1.0 CE C:LYS193 5.0 27.9 1.0

Calcium binding site 4 out of 5 in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca402 b:52.4 occ:1.00 OE2 C:GLU205 2.3 32.5 1.0 OD1 C:ASN49 2.3 30.3 1.0 O C:HOH554 2.7 31.6 1.0 CG C:ASN49 3.3 22.1 1.0 CE1 C:HIS50 3.4 22.9 1.0 CG2 C:THR51 3.4 18.6 1.0 CD C:GLU205 3.5 24.2 1.0 O C:HOH539 3.6 25.1 1.0 NH2 C:ARG208 3.8 21.4 1.0 ND2 C:ASN49 3.9 20.7 1.0 ND1 C:HIS50 3.9 21.9 1.0 NE2 C:HIS50 3.9 23.0 1.0 CG C:GLU205 4.1 22.3 1.0 OD2 C:ASP76 4.4 31.1 1.0 OE1 C:GLU205 4.4 24.7 1.0 CB C:ASN49 4.4 21.4 1.0 OG1 C:THR51 4.6 16.9 1.0 CB C:THR51 4.6 17.6 1.0 O C:HOH536 4.6 23.6 1.0 CD2 C:HIS50 4.7 21.0 1.0 CG C:HIS50 4.8 19.8 1.0 N C:THR51 4.8 17.2 1.0 O C:HOH589 4.8 23.9 1.0 CE2 C:PHE12 4.8 34.6 1.0 O C:HOH625 4.9 31.0 1.0 OD2 C:ASP70 4.9 25.2 1.0

Calcium binding site 5 out of 5 in the 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca401 b:57.0 occ:1.00 O D:HOH610 2.1 22.7 1.0 O D:SER189 2.3 30.7 1.0 O D:LEU192 2.3 27.8 1.0 O D:HOH573 2.5 29.1 1.0 O D:HOH639 3.4 43.8 1.0 C D:SER189 3.4 23.6 1.0 C D:LEU192 3.5 23.9 1.0 CA D:SER189 4.1 21.4 1.0 CA D:LEU192 4.4 22.7 1.0 N D:LYS193 4.5 25.5 1.0 N D:GLY190 4.5 23.1 1.0 CA D:LYS193 4.6 26.3 1.0 CB D:SER189 4.6 21.8 1.0 N D:LEU192 4.6 21.8 1.0 CB D:LEU192 4.6 21.7 1.0 CA D:GLY190 4.7 22.5 1.0 C D:GLY190 4.8 22.4 1.0 CD D:LYS193 4.9 27.3 1.0 O D:GLY190 5.0 22.7 1.0

G.Minasov, Z.Wawrzak, T.Skarina, E.Gordon, J.Stam, K.Kwon, A.Savchenko, W.F.Anderson. 2.22 Angstrom Resolution Crystal Structure of A Putative Acyltransferase From Salmonella Enterica. To Be Published.