Calcium in PDB 4xw4: X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions

All present enzymatic activity of X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions:
2.7.11.11;

The structure of X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions, PDB code: 4xw4 was solved by O.Gerlits, J.Tian, A.Das, S.Taylor, P.Langan, T.W.Heller, A.Kovalevsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.364, 78.816, 97.985, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 24

The binding sites of Calcium atom in the X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions (pdb code 4xw4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions, PDB code: 4xw4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:22.2 occ:1.00 O1B A:ANP403 2.4 37.8 1.0 O A:HOH589 2.4 20.3 1.0 O A:HOH592 2.4 46.0 1.0 OD2 A:ASP184 2.5 15.1 1.0 OD1 A:ASP184 2.6 18.5 1.0 O B:HOH711 2.6 45.7 1.0 O3G A:ANP403 2.6 42.3 1.0 O A:HOH813 2.7 37.2 1.0 CG A:ASP184 2.9 24.1 1.0 PB A:ANP403 3.8 29.6 1.0 O A:HOH590 3.9 37.6 1.0 CA A:CA402 4.0 16.8 1.0 PG A:ANP403 4.0 51.1 1.0 OG B:SER621 4.3 36.5 1.0 CA A:GLY186 4.4 11.8 1.0 OD2 A:ASP166 4.4 20.1 1.0 NZ A:LYS72 4.5 32.8 1.0 CB A:ASP184 4.5 14.7 1.0 O1A A:ANP403 4.5 24.0 1.0 O A:HOH719 4.6 36.0 1.0 N3B A:ANP403 4.6 27.8 1.0 N A:GLY186 4.6 15.8 1.0 O3A A:ANP403 4.7 24.8 1.0 O A:HOH707 4.8 33.2 1.0 O2B A:ANP403 4.8 36.4 1.0 O2G A:ANP403 4.8 54.0 1.0 PA A:ANP403 4.9 24.3 1.0 CB B:SER621 5.0 26.9 1.0 O1G A:ANP403 5.0 38.6 1.0

Calcium binding site 2 out of 2 in the X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of Pkac with Amppnp, SP20, Calcium Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:16.8 occ:1.00 OD2 A:ASP184 2.3 15.1 1.0 O1A A:ANP403 2.3 24.0 1.0 OD1 A:ASN171 2.4 14.7 1.0 O A:HOH587 2.5 20.5 1.0 O A:HOH591 2.7 50.8 1.0 O A:HOH590 2.7 37.6 1.0 O1G A:ANP403 2.7 38.6 1.0 O3G A:ANP403 2.8 42.3 1.0 PG A:ANP403 3.3 51.1 1.0 CG A:ASP184 3.3 24.1 1.0 CG A:ASN171 3.4 22.9 1.0 PA A:ANP403 3.7 24.3 1.0 ND2 A:ASN171 3.7 15.6 1.0 CB A:ASP184 3.8 14.7 1.0 CA A:CA401 4.0 22.2 1.0 O1B A:ANP403 4.1 37.8 1.0 N3B A:ANP403 4.2 27.8 1.0 OD1 A:ASP184 4.3 18.5 1.0 PB A:ANP403 4.4 29.6 1.0 O A:HOH588 4.4 27.8 1.0 O3A A:ANP403 4.4 24.8 1.0 O B:HOH720 4.4 22.7 1.0 O2G A:ANP403 4.5 54.0 1.0 OD2 A:ASP166 4.5 20.1 1.0 O2A A:ANP403 4.6 21.8 1.0 CE A:LYS168 4.6 23.8 1.0 O3' A:ANP403 4.6 25.1 1.0 O5' A:ANP403 4.7 18.9 1.0 CB A:ASN171 4.7 15.6 1.0 C5' A:ANP403 4.8 14.3 1.0 O B:HOH711 4.9 45.7 1.0 O A:GLU170 4.9 18.9 1.0 NZ A:LYS168 4.9 19.9 1.0 O A:HOH589 5.0 20.3 1.0

O.Gerlits, J.Tian, A.Das, S.Taylor, P.Langan, W.T.Heller, A.Kovalevsky. Phosphoryl Transfer Reaction Snapshots in Crystals: Insights Into the Mechanism of Protein Kinase A Catalytic Subunit. J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 25925954
DOI: 10.1074/JBC.M115.643213