Chlorine in PDB 9dw9: Phosphorylated (E1371Q)Cftr in Complex with Pka-C

All present enzymatic activity of Phosphorylated (E1371Q)Cftr in Complex with Pka-C:
2.7.11.11; 5.6.1.6;

The structure of Phosphorylated (E1371Q)Cftr in Complex with Pka-C also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Phosphorylated (E1371Q)Cftr in Complex with Pka-C (pdb code 9dw9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Phosphorylated (E1371Q)Cftr in Complex with Pka-C, PDB code: 9dw9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Phosphorylated (E1371Q)Cftr in Complex with Pka-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1507 b:53.6 occ:1.00 O A:GLY103 3.1 41.0 1.0 OH A:TYR914 3.6 42.4 1.0 CG A:ARG334 3.7 37.5 1.0 CA A:GLY103 3.7 34.1 1.0 C A:GLY103 3.8 38.9 1.0 CD2 A:PHE337 3.9 33.9 1.0 OG1 A:THR338 3.9 38.7 1.0 CE1 A:TYR914 4.0 35.1 1.0 CZ A:TYR914 4.3 35.4 1.0 NE A:ARG334 4.3 54.5 1.0 N A:ALA107 4.3 39.2 1.0 O A:ARG334 4.4 41.2 1.0 CB A:ILE106 4.4 34.7 1.0 CG2 A:ILE106 4.4 35.6 1.0 CB A:ALA107 4.4 41.3 1.0 CE2 A:PHE337 4.5 35.5 1.0 CD A:ARG334 4.5 45.9 1.0 CB A:ARG334 4.7 36.1 1.0 CA A:ALA107 4.8 39.1 1.0 CA A:ARG334 4.8 37.9 1.0 CG A:PHE337 4.9 33.2 1.0 C A:ILE106 4.9 38.3 1.0 CB A:PHE337 5.0 34.1 1.0 C A:ARG334 5.0 39.4 1.0

Chlorine binding site 2 out of 4 in the Phosphorylated (E1371Q)Cftr in Complex with Pka-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1508 b:72.3 occ:1.00 NH1 A:ARG104 4.0 50.5 1.0 CG A:ARG104 4.0 44.2 1.0 N A:ARG104 4.1 41.3 1.0 NH2 A:ARG334 4.1 49.8 1.0 C A:GLY103 4.1 38.9 1.0 O A:PRO99 4.2 38.4 1.0 CG2 A:THR338 4.2 33.0 1.0 CA A:GLY103 4.2 34.1 1.0 OG1 A:THR338 4.3 38.7 1.0 CZ A:ARG104 4.4 51.7 1.0 O A:LEU100 4.5 45.2 1.0 CL A:CL1509 4.6 64.5 1.0 O A:GLY103 4.7 41.0 1.0 NE A:ARG334 4.7 54.5 1.0 CA A:ARG104 4.8 43.1 1.0 NE A:ARG104 4.9 52.5 1.0 CA A:LEU100 4.9 41.0 1.0 CB A:THR338 4.9 35.6 1.0 NH2 A:ARG104 4.9 49.9 1.0 CZ A:ARG334 4.9 53.9 1.0 N A:GLY103 5.0 39.1 1.0 CB A:ARG104 5.0 45.9 1.0

Chlorine binding site 3 out of 4 in the Phosphorylated (E1371Q)Cftr in Complex with Pka-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Phosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1509 b:64.5 occ:1.00 CD2 A:LEU100 3.7 39.8 1.0 CG A:LEU218 4.1 49.7 1.0 CE2 A:PHE342 4.1 33.5 1.0 OE2 A:GLU217 4.1 71.2 1.0 CD2 A:LEU218 4.1 48.6 1.0 CD A:GLU217 4.3 67.6 1.0 CG A:GLU217 4.3 57.4 1.0 CD1 A:LEU218 4.4 43.4 1.0 CZ A:PHE342 4.5 36.7 1.0 CL A:CL1508 4.6 72.3 1.0 CG2 A:THR338 4.6 33.0 1.0 O A:LEU214 4.6 44.0 1.0 OE1 A:GLU217 4.9 67.8 1.0

Chlorine binding site 4 out of 4 in the Phosphorylated (E1371Q)Cftr in Complex with Pka-C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Phosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1510 b:76.0 occ:1.00 O A:HOH1603 3.7 48.5 1.0 CD2 A:LEU218 3.9 48.6 1.0 O A:GLU217 4.0 58.1 1.0 NZ A:LYS335 4.0 38.7 1.0 OE1 A:GLU217 4.2 67.8 1.0 CA A:LEU218 4.6 50.6 1.0 CD A:GLU217 4.7 67.6 1.0 C A:GLU217 4.7 53.5 1.0 CG A:GLU217 4.7 57.4 1.0 CG A:LEU218 4.8 49.7 1.0 N A:LEU218 4.9 52.3 1.0

K.Fiedorczuk, I.Iordanov, C.Mihalyi, A.Szollosi, L.Csanady, J.Chen. The Structures of Protein Kinase A in Complex with Cftr: Mechanisms of Phosphorylation and Non-Catalytic Activation To Be Published.