Zinc in PDB 7ko6: C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine

All present enzymatic activity of C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine:
2.7.11.13;

The structure of C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine, PDB code: 7ko6 was solved by S.S.Katti, I.V.Krieger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.56 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	34.384, 25.909, 57.731, 90, 98.39, 90
R / Rfree (%)	17.6 / 21.5

The binding sites of Zinc atom in the C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine (pdb code 7ko6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine, PDB code: 7ko6:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:12.9 occ:1.00 ND1 A:HIS231 2.1 12.8 1.0 SG A:CYS280 2.3 12.4 1.0 SG A:CYS264 2.3 10.0 1.0 SG A:CYS261 2.3 11.3 1.0 CE1 A:HIS231 2.9 12.5 1.0 CB A:CYS280 3.1 17.6 1.0 CG A:HIS231 3.2 11.6 1.0 CB A:CYS264 3.3 13.1 1.0 CB A:CYS261 3.3 6.4 1.0 CB A:HIS231 3.7 6.5 1.0 N A:CYS264 3.7 9.9 1.0 CA A:HIS231 3.9 11.5 1.0 CA A:CYS280 3.9 14.3 1.0 CA A:CYS264 4.0 16.3 1.0 NE2 A:HIS231 4.1 13.3 1.0 CD2 A:HIS231 4.2 14.7 1.0 O A:HOH448 4.3 26.6 1.0 CB A:ASP263 4.6 10.6 1.0 CA A:CYS261 4.7 6.5 1.0 C A:ASP263 4.7 12.6 1.0 N A:ARG232 4.7 8.4 1.0 C A:CYS280 4.7 18.5 1.0 C A:CYS264 4.8 18.2 1.0 N A:HIS231 4.8 10.3 1.0 CB A:MET266 4.8 13.0 1.0 C A:HIS231 4.9 13.2 1.0 N A:GLY265 4.9 9.4 1.0 N A:ASP263 4.9 9.3 1.0 N A:CYS280 5.0 12.7 1.0 CA A:ASP263 5.0 16.6 1.0

Zinc binding site 2 out of 2 in the C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of C1B Domain of Protein Kinase C in Complex with Ingenol-3-Angelate and Phosphocholine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:11.7 occ:1.00 ND1 A:HIS269 2.1 11.2 1.0 SG A:CYS247 2.3 14.6 1.0 SG A:CYS272 2.3 13.9 1.0 SG A:CYS244 2.3 10.7 1.0 CE1 A:HIS269 3.1 13.2 1.0 CB A:CYS244 3.1 13.2 1.0 CG A:HIS269 3.2 16.1 1.0 CB A:CYS247 3.2 11.4 1.0 CB A:CYS272 3.4 11.0 1.0 CB A:HIS269 3.5 10.1 1.0 N A:CYS247 3.8 13.3 1.0 N A:HIS269 3.8 11.8 1.0 CA A:CYS247 4.1 12.8 1.0 NE2 A:HIS269 4.2 14.3 1.0 CD2 A:HIS269 4.3 19.3 1.0 CA A:HIS269 4.3 7.6 1.0 CA A:CYS244 4.6 12.3 1.0 CB A:HIS246 4.7 14.1 1.0 CA A:CYS272 4.8 14.1 1.0 C A:CYS247 4.8 12.3 1.0 CD2 A:HIS246 4.9 15.4 1.0 C A:HIS246 4.9 16.1 1.0 C A:VAL268 4.9 7.6 1.0

S.S.Katti, I.V.Krieger, J.Ann, J.Lee, J.C.Sacchettini, T.I.Igumenova. Structural Anatomy of Protein Kinase C C1 Domain Interactions with Diacylglycerol and Other Agonists. Nat Commun V. 13 2695 2022.
ISSN: ESSN 2041-1723
PubMed: 35577811
DOI: 10.1038/S41467-022-30389-2