Calcium in PDB 4wbb: Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme

All present enzymatic activity of Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme:
2.7.11.11;

The structure of Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme, PDB code: 4wbb was solved by P.Zhang, M.J.Knape, L.G.Ahuja, M.M.Keshwani, C.C.King, M.Sastri, F.W.Herberg, S.S.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	150.380, 213.951, 61.967, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 27.9

The binding sites of Calcium atom in the Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme (pdb code 4wbb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme, PDB code: 4wbb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:44.8 occ:1.00 O2B A:ADP502 2.1 47.9 1.0 O3P A:SEP112 2.4 37.5 1.0 OD1 B:ASP184 2.4 47.6 1.0 O B:HOH505 2.5 49.6 1.0 OD2 B:ASP184 2.7 35.9 1.0 CG B:ASP184 2.9 38.9 1.0 O1P A:SEP112 3.4 47.8 1.0 PB A:ADP502 3.5 44.9 1.0 P A:SEP112 3.5 52.6 1.0 O A:HOH607 3.7 48.9 1.0 CA B:CA401 3.8 43.7 1.0 O1B A:ADP502 3.9 45.8 1.0 O2A A:ADP502 4.3 42.7 1.0 O3A A:ADP502 4.4 33.0 1.0 OD2 B:ASP166 4.4 38.8 1.0 CB B:ASP184 4.4 41.5 1.0 O3B A:ADP502 4.5 40.8 1.0 OG A:SEP112 4.5 41.8 1.0 NZ B:LYS72 4.5 38.3 1.0 CA B:GLY186 4.6 37.1 1.0 O2P A:SEP112 4.6 50.6 1.0 PA A:ADP502 4.8 45.5 1.0 N B:GLY186 4.8 36.8 1.0 CB A:SEP112 4.9 37.1 1.0

Calcium binding site 2 out of 2 in the Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:43.7 occ:1.00 O A:HOH607 2.1 48.9 1.0 O2A A:ADP502 2.1 42.7 1.0 OD1 B:ASP184 2.3 47.6 1.0 OD1 B:ASN171 2.6 46.5 1.0 O B:HOH504 2.7 45.6 1.0 O2B A:ADP502 2.7 47.9 1.0 O3B A:ADP502 3.2 40.8 1.0 O3P A:SEP112 3.3 37.5 1.0 CG B:ASP184 3.3 38.9 1.0 PB A:ADP502 3.4 44.9 1.0 CG B:ASN171 3.5 43.6 1.0 PA A:ADP502 3.5 45.5 1.0 CB B:ASP184 3.8 41.5 1.0 ND2 B:ASN171 3.8 43.5 1.0 CA A:CA501 3.8 44.8 1.0 O3A A:ADP502 4.0 33.0 1.0 CE B:LYS168 4.2 39.8 1.0 NZ B:LYS168 4.2 41.1 1.0 OD2 B:ASP184 4.4 35.9 1.0 O5' A:ADP502 4.5 40.4 1.0 O2P A:SEP112 4.5 50.6 1.0 O1A A:ADP502 4.6 40.1 1.0 P A:SEP112 4.6 52.6 1.0 OD2 B:ASP166 4.6 38.8 1.0 O B:HOH505 4.8 49.6 1.0 O1B A:ADP502 4.8 45.8 1.0 CB B:ASN171 4.9 34.4 1.0 C5' A:ADP502 5.0 36.3 1.0

P.Zhang, M.J.Knape, L.G.Ahuja, M.M.Keshwani, C.C.King, M.Sastri, F.W.Herberg, S.S.Taylor. Single Turnover Autophosphorylation Cycle of the Pka Riib Holoenzyme Plos Biol. 2015.
ISSN: ESSN 1545-7885