Magnesium 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:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Phosphorylated (E1371Q)Cftr in Complex with Pka-C, PDB code: 9dw9:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1503 b:33.2 occ:1.00 O A:HOH1601 1.9 32.7 1.0 OG1 A:THR465 2.0 31.6 1.0 O A:HOH1602 2.0 29.8 1.0 O3G A:ATP1505 2.4 32.5 1.0 O2B A:ATP1505 2.4 30.1 1.0 OE1 A:GLN493 2.4 36.9 1.0 CB A:THR465 3.2 26.9 1.0 CD A:GLN493 3.5 33.5 1.0 O3B A:ATP1505 3.6 38.2 1.0 PB A:ATP1505 3.6 28.4 1.0 PG A:ATP1505 3.6 35.3 1.0 O2A A:ATP1505 4.0 30.5 1.0 NE2 A:GLN493 4.0 29.6 1.0 CG2 A:THR465 4.1 27.1 1.0 N A:THR465 4.2 29.7 1.0 CA A:THR465 4.3 26.2 1.0 OD2 A:ASP572 4.3 38.1 1.0 O3A A:ATP1505 4.3 29.4 1.0 O2G A:ATP1505 4.4 35.0 1.0 OD1 A:ASP572 4.5 40.2 1.0 O1G A:ATP1505 4.6 34.9 1.0 PA A:ATP1505 4.7 33.1 1.0 CB A:HIS1348 4.7 37.0 1.0 O1B A:ATP1505 4.7 30.6 1.0 CG A:GLN493 4.8 33.7 1.0 CG A:ASP572 4.8 39.8 1.0 CB A:GLN493 4.9 31.4 1.0 N A:HIS1348 4.9 35.3 1.0

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg1504 b:35.0 occ:1.00 OG A:SER1251 2.2 32.7 1.0 O2B A:ATP1506 2.5 36.0 1.0 O3G A:ATP1506 2.5 38.4 1.0 OE1 A:GLN1291 2.8 45.2 1.0 CB A:SER1251 3.3 27.8 1.0 CD A:GLN1291 3.4 39.0 1.0 OD1 A:ASP1370 3.7 52.8 1.0 PG A:ATP1506 3.7 32.1 1.0 PB A:ATP1506 3.7 29.2 1.0 O3B A:ATP1506 3.8 35.6 1.0 NE2 A:GLN1291 3.8 41.5 1.0 OD2 A:ASP1370 3.9 43.6 1.0 N A:SER1251 4.1 30.1 1.0 CA A:SER1251 4.1 26.4 1.0 CG A:ASP1370 4.2 48.3 1.0 O2A A:ATP1506 4.4 31.3 1.0 O1G A:ATP1506 4.4 30.8 1.0 CG A:GLN1291 4.5 32.7 1.0 O1B A:ATP1506 4.7 31.6 1.0 O3A A:ATP1506 4.7 26.5 1.0 CB A:GLN1291 4.8 39.8 1.0 O2G A:ATP1506 4.9 32.8 1.0

Magnesium 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 Magnesium with other atoms in the Mg binding site number 3 of Phosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg402 b:78.0 occ:1.00 O3G G:ATP401 2.2 85.2 1.0 OD1 G:ASP185 2.3 69.5 1.0 O2B G:ATP401 2.4 79.2 1.0 CG G:ASP185 3.0 69.0 1.0 OD2 G:ASP185 3.0 71.7 1.0 PG G:ATP401 3.5 92.9 1.0 PB G:ATP401 3.7 82.9 1.0 O3B G:ATP401 4.0 87.2 1.0 O2G G:ATP401 4.0 79.7 1.0 CA G:GLY187 4.1 64.0 1.0 N G:GLY187 4.3 66.0 1.0 OD2 G:ASP167 4.4 69.0 1.0 O1B G:ATP401 4.4 93.0 1.0 CB G:ASP185 4.5 62.2 1.0 CE2 G:PHE55 4.5 30.0 1.0 CD2 G:PHE55 4.5 30.0 1.0 O G:ASP185 4.7 67.6 1.0 O1G G:ATP401 4.7 88.6 1.0 MG G:MG403 4.8 69.1 1.0 O3A G:ATP401 4.9 79.5 1.0 CE2 G:PHE188 4.9 71.4 1.0 C G:GLY187 4.9 66.3 1.0 CZ G:PHE188 5.0 73.6 1.0 C G:ASP185 5.0 65.2 1.0

Magnesium 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 Magnesium with other atoms in the Mg binding site number 4 of Phosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg403 b:69.1 occ:1.00 OD2 G:ASP185 2.2 71.7 1.0 O2A G:ATP401 2.2 71.0 1.0 OD1 G:ASN172 2.2 60.8 1.0 O2G G:ATP401 2.3 79.7 1.0 O3B G:ATP401 3.1 87.2 1.0 CG G:ASP185 3.1 69.0 1.0 PG G:ATP401 3.3 92.9 1.0 CG G:ASN172 3.4 53.8 1.0 CB G:ASP185 3.5 62.2 1.0 PA G:ATP401 3.6 80.1 1.0 ND2 G:ASN172 4.0 52.1 1.0 PB G:ATP401 4.1 82.9 1.0 O3G G:ATP401 4.1 85.2 1.0 OD1 G:ASP185 4.2 69.5 1.0 O2B G:ATP401 4.2 79.2 1.0 CE G:LYS169 4.3 53.9 1.0 O3A G:ATP401 4.4 79.5 1.0 C5' G:ATP401 4.4 80.3 1.0 O1G G:ATP401 4.4 88.6 1.0 O1A G:ATP401 4.5 79.5 1.0 O5' G:ATP401 4.5 83.7 1.0 CB G:ASN172 4.5 47.9 1.0 CA G:ASN172 4.6 48.1 1.0 O G:GLU171 4.7 55.9 1.0 NZ G:LYS169 4.8 62.4 1.0 O3' G:ATP401 4.8 73.6 1.0 MG G:MG402 4.8 78.0 1.0 N G:ASN172 4.9 49.4 1.0 C G:GLU171 4.9 51.6 1.0 CA G:ASP185 5.0 60.1 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.