Calcium in PDB 8xbp: Crystal Structure of ATNATA1 Bound to Acetyl Coa

The structure of Crystal Structure of ATNATA1 Bound to Acetyl Coa, PDB code: 8xbp was solved by U.F.S.Hameed, S.T.Arold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.70 / 1.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	148.29, 50.78, 60.21, 90, 92.33, 90
R / Rfree (%)	25 / 28.8

The binding sites of Calcium atom in the Crystal Structure of ATNATA1 Bound to Acetyl Coa (pdb code 8xbp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of ATNATA1 Bound to Acetyl Coa, PDB code: 8xbp:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of ATNATA1 Bound to Acetyl Coa


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 ATNATA1 Bound to Acetyl Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:49.0 occ:1.00 O A:HOH413 2.1 31.5 1.0 OD1 A:ASP152 2.2 24.2 1.0 OE2 A:GLU151 2.4 16.8 1.0 O Q:HOH429 2.7 36.1 1.0 O A:GLU151 2.7 20.9 1.0 CD A:GLU151 3.3 19.0 1.0 CG A:ASP152 3.3 22.9 1.0 C A:GLU151 3.7 21.4 1.0 CG A:GLU151 3.7 18.8 1.0 OD2 A:ASP152 4.0 25.7 1.0 CA A:ASP152 4.3 21.6 1.0 N A:ASP152 4.4 23.1 1.0 CB A:ASP152 4.4 24.1 1.0 SD A:MET45 4.4 36.4 1.0 OE1 A:GLU151 4.4 15.4 1.0 O A:ACO301 4.4 66.7 1.0 OG Q:SER141 4.4 13.4 1.0 O A:HOH418 4.4 39.6 1.0 CA A:GLU151 4.6 18.5 1.0 O Q:HOH467 4.6 28.2 1.0 CB A:GLU151 4.7 19.4 1.0 OE2 A:GLU49 4.8 44.0 1.0 O A:HOH403 4.8 34.8 1.0 OE1 A:GLU49 4.9 26.7 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of ATNATA1 Bound to Acetyl Coa


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 ATNATA1 Bound to Acetyl Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:30.0 occ:1.00 O A:LYS208 2.3 19.4 1.0 O Q:LYS208 2.3 16.5 1.0 O A:TRP210 2.6 16.8 1.0 O Q:TRP210 2.7 15.3 1.0 C A:LYS208 3.5 14.6 1.0 C Q:LYS208 3.5 13.8 1.0 C A:TRP210 3.7 15.7 1.0 C Q:TRP210 3.7 15.7 1.0 N A:TRP210 3.8 15.7 1.0 N Q:TRP210 3.9 13.8 1.0 CA A:LYS208 4.3 15.7 1.0 CA Q:LYS208 4.4 16.8 1.0 CA A:TRP210 4.4 15.7 1.0 CA Q:TRP210 4.4 15.8 1.0 N A:GLU209 4.4 14.1 1.0 N Q:GLU209 4.4 12.4 1.0 C A:GLU209 4.5 14.0 1.0 C Q:GLU209 4.5 12.6 1.0 CA A:GLU209 4.5 14.2 1.0 CA Q:GLU209 4.5 12.4 1.0 N Q:ARG211 4.7 17.7 1.0 N A:ARG211 4.8 16.9 1.0 CB A:LYS208 4.8 16.0 1.0 OD2 A:ASP190 4.8 27.8 1.0 CB Q:LYS208 4.8 19.8 1.0 OD2 Q:ASP190 4.9 24.9 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of ATNATA1 Bound to Acetyl Coa


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 ATNATA1 Bound to Acetyl Coa within 5.0Å range: probe atom residue distance (Å) B Occ Q:Ca302 b:46.4 occ:1.00 OD1 Q:ASP152 2.1 20.4 1.0 O Q:HOH423 2.3 39.3 1.0 OE2 Q:GLU151 2.4 21.4 1.0 O Q:GLU151 2.6 19.1 1.0 O A:HOH423 2.7 40.1 1.0 CG Q:ASP152 3.3 21.6 1.0 CD Q:GLU151 3.4 20.5 1.0 C Q:GLU151 3.6 19.8 1.0 CG Q:GLU151 3.7 19.1 1.0 OD2 Q:ASP152 4.0 23.2 1.0 CA Q:ASP152 4.3 21.2 1.0 N Q:ASP152 4.3 20.4 1.0 CB Q:ASP152 4.3 22.8 1.0 SD Q:MET45 4.3 35.1 1.0 O Q:HOH412 4.4 38.0 1.0 OE1 Q:GLU151 4.4 19.1 1.0 OG A:SER141 4.5 13.4 1.0 CA Q:GLU151 4.5 17.8 1.0 O Q:HOH419 4.5 39.8 1.0 CB Q:GLU151 4.7 19.0 1.0 OE2 Q:GLU49 4.8 34.5 1.0 O Q:ACO301 4.8 51.8 1.0 O A:HOH467 4.9 34.7 1.0 OE1 Q:GLU49 4.9 25.2 1.0

U.F.S.Hameed, S.T.Arold. Crystal Structure of ATNATA1 Bound to Acetyl Coa To Be Published.