Calcium in PDB 3gpe: Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2

All present enzymatic activity of Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2:
2.7.11.13;

The structure of Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2, PDB code: 3gpe was solved by C.Ferrer-Orta, J.Querol-Audi, I.Fita, N.Verdaguer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.848, 57.848, 90.479, 90.00, 90.00, 120.00
R / Rfree (%)	24.3 / 27.7

The binding sites of Calcium atom in the Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2 (pdb code 3gpe). 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 Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2, PDB code: 3gpe:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:23.2 occ:1.00 OD2 A:ASP246 2.1 9.4 1.0 O A:MET186 2.2 14.2 1.0 OD2 A:ASP248 2.2 10.9 1.0 OD2 A:ASP254 2.4 11.2 1.0 OD1 A:ASP187 2.4 12.6 1.0 O A:HOH304 2.6 10.8 1.0 OD1 A:ASP248 2.7 11.0 1.0 CG A:ASP248 2.8 11.0 1.0 C A:MET186 3.2 14.2 1.0 CG A:ASP246 3.3 10.0 1.0 CG A:ASP254 3.4 11.6 1.0 CG A:ASP187 3.5 13.2 1.0 CA A:CA502 3.8 20.9 1.0 CB A:MET186 3.8 14.7 1.0 OD1 A:ASP246 4.0 10.0 1.0 CA A:CA503 4.0 33.4 1.0 N A:ASP187 4.0 13.9 1.0 CA A:ASP187 4.0 13.5 1.0 CB A:ASP254 4.1 11.4 1.0 O A:HOH335 4.1 2.0 0.5 CA A:MET186 4.1 14.5 1.0 CB A:ASP248 4.3 10.8 1.0 OD2 A:ASP187 4.3 12.7 1.0 OD1 A:ASP254 4.3 11.7 1.0 O A:HOH39 4.4 31.0 1.0 CB A:ASP187 4.4 13.4 1.0 CB A:ASP246 4.4 10.0 1.0 O A:ASP246 4.7 10.1 1.0 O4 A:PO4401 5.0 40.0 1.0 N A:ASP254 5.0 11.5 1.0

Calcium binding site 2 out of 3 in the Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:20.9 occ:1.00 OD1 A:ASP248 2.1 11.0 1.0 O A:TRP247 2.4 10.4 1.0 OD1 A:ASP246 2.4 10.0 1.0 OD2 A:ASP187 2.5 12.7 1.0 OD2 A:ASP193 2.5 10.6 1.0 OD1 A:ASP187 2.6 12.6 1.0 O4 A:PO4401 2.6 40.0 1.0 CG A:ASP187 2.9 13.2 1.0 CG A:ASP246 3.2 10.0 1.0 OD2 A:ASP246 3.3 9.4 1.0 CG A:ASP248 3.4 11.0 1.0 C A:TRP247 3.4 10.4 1.0 CG A:ASP193 3.4 11.2 1.0 CA A:CA501 3.8 23.2 1.0 CB A:ASP193 3.8 11.1 1.0 N A:ASP193 3.8 11.4 1.0 P A:PO4401 3.9 40.3 1.0 CA A:ASP248 4.0 10.8 1.0 N A:ASP248 4.1 10.5 1.0 O2 A:PO4401 4.1 40.4 1.0 OD2 A:ASP248 4.2 10.9 1.0 O A:HOH335 4.2 2.0 0.5 CB A:ASP248 4.3 10.8 1.0 O A:HOH23 4.3 21.4 1.0 CB A:ASP187 4.4 13.4 1.0 C A:ASP246 4.4 10.1 1.0 N A:TRP247 4.4 10.2 1.0 O A:ASP246 4.4 10.1 1.0 CA A:ASP193 4.5 11.2 1.0 C A:SER192 4.5 11.5 1.0 CA A:TRP247 4.5 10.3 1.0 OD1 A:ASP193 4.5 10.7 1.0 CA A:SER192 4.5 11.6 1.0 O3 A:PO4401 4.6 40.0 1.0 CB A:ASP246 4.6 10.0 1.0 O A:HOH14 4.7 15.6 1.0 CA A:ASP246 5.0 10.1 1.0

Calcium binding site 3 out of 3 in the Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure Analysis of Pkc (Alpha)-C2 Domain Complexed with CA2+ and Ptdins(4,5)P2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:33.4 occ:1.00 O A:ARG252 2.4 11.7 1.0 OD2 A:ASP248 2.5 10.9 1.0 OD1 A:ASP254 2.6 11.7 1.0 OG1 A:THR251 2.6 11.4 1.0 OD2 A:ASP254 3.0 11.2 1.0 CG A:ASP254 3.1 11.6 1.0 CG A:ASP248 3.6 11.0 1.0 C A:ARG252 3.7 11.7 1.0 CB A:THR251 3.7 11.4 1.0 O A:HOH304 3.8 10.8 1.0 CB A:ASP248 3.9 10.8 1.0 CA A:CA501 4.0 23.2 1.0 N A:ARG252 4.2 11.7 1.0 C A:THR251 4.2 11.5 1.0 N A:ASP254 4.4 11.5 1.0 CB A:ASP254 4.4 11.4 1.0 CG A:ARG252 4.5 12.5 1.0 C A:ASN253 4.5 11.5 1.0 CA A:ARG252 4.5 11.8 1.0 O A:THR251 4.5 11.5 1.0 O A:HOH27 4.6 32.3 1.0 N A:ASN253 4.6 11.5 1.0 CA A:THR251 4.6 11.4 1.0 O A:HOH39 4.6 31.0 1.0 O A:HOH53 4.6 23.4 1.0 CA A:ASN253 4.7 11.5 1.0 OD1 A:ASP248 4.7 11.0 1.0 CA A:ASP254 4.8 11.4 1.0 CG2 A:THR251 4.8 11.3 1.0 O A:ASN253 4.9 11.5 1.0

M.Guerrero-Valero, C.Ferrer-Orta, J.Querol-Audi, C.Marin-Vicente, I.Fita, J.C.Gomez-Fernandez, N.Verdaguer, S.Corbalan-Garcia. Structural and Mechanistic Insights Into the Association of Pkcalpha-C2 Domain to Ptdins(4,5)P2. Proc.Natl.Acad.Sci.Usa V. 106 6603 2009.
ISSN: ISSN 0027-8424
PubMed: 19346474
DOI: 10.1073/PNAS.0813099106