Magnesium in PDB 9dw8: Dephosphorylated (E1371Q)Cftr in Complex with Pka-C

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

The binding sites of Magnesium atom in the Dephosphorylated (E1371Q)Cftr in Complex with Pka-C (pdb code 9dw8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Dephosphorylated (E1371Q)Cftr in Complex with Pka-C, PDB code: 9dw8:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Dephosphorylated (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 Dephosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1503 b:52.0 occ:1.00 OE1 A:GLN493 2.1 50.1 1.0 CD A:GLN493 2.6 50.1 1.0 NE2 A:GLN493 2.6 50.1 1.0 O13 A:B441501 2.7 55.3 1.0 O10 A:B441501 2.7 55.3 1.0 OG1 A:THR465 2.8 48.2 1.0 O9 A:B441501 3.0 55.3 1.0 P3 A:B441501 3.2 55.3 1.0 CG A:GLN493 4.0 50.1 1.0 CB A:THR465 4.1 48.2 1.0 OD2 A:ASP572 4.1 52.5 1.0 P2 A:B441501 4.1 55.3 1.0 O12 A:B441501 4.2 55.3 1.0 O7 A:B441501 4.4 55.3 1.0 CB A:GLN493 4.6 50.1 1.0 CB A:HIS1348 4.6 52.1 1.0 OD1 A:ASP572 4.7 52.5 1.0 CG A:ASP572 4.8 52.5 1.0 N A:THR465 4.9 48.2 1.0 OG A:SER573 4.9 54.1 1.0 CG2 A:THR465 5.0 48.2 1.0 O11 A:B441501 5.0 55.3 1.0

Magnesium binding site 2 out of 4 in the Dephosphorylated (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 Dephosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1504 b:45.6 occ:1.00 OE1 A:GLN1291 2.4 49.1 1.0 O13 A:B441502 2.5 51.2 1.0 CD A:GLN1291 2.9 49.1 1.0 O9 A:B441502 2.9 51.2 1.0 NE2 A:GLN1291 2.9 49.1 1.0 O10 A:B441502 3.0 51.2 1.0 P3 A:B441502 3.2 51.2 1.0 P2 A:B441502 3.8 51.2 1.0 O12 A:B441502 3.9 51.2 1.0 CB A:SER1251 4.1 46.0 1.0 OD1 A:ASP1370 4.2 54.0 1.0 OD2 A:ASP1370 4.2 54.0 1.0 CG A:GLN1291 4.2 49.1 1.0 O11 A:B441502 4.5 51.2 1.0 O7 A:B441502 4.5 51.2 1.0 CG A:ASP1370 4.6 54.0 1.0 OG A:SER1251 4.7 46.0 1.0 CB A:GLN1291 4.7 49.1 1.0 CG A:GLN1371 4.8 56.1 1.0

Magnesium binding site 3 out of 4 in the Dephosphorylated (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 Dephosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg401 b:109.3 occ:1.00 O3G G:ANP403 1.9 100.1 1.0 O2B G:ANP403 2.0 100.1 1.0 N3B G:ANP403 2.4 100.1 1.0 PG G:ANP403 2.5 100.1 1.0 PB G:ANP403 2.6 100.1 1.0 CA G:GLY53 2.7 121.4 1.0 C G:GLY53 2.7 121.4 1.0 O G:GLY53 2.9 121.4 1.0 O2G G:ANP403 3.5 100.1 1.0 N G:SER54 3.5 125.2 1.0 O G:THR52 3.6 119.3 1.0 O1B G:ANP403 3.7 100.1 1.0 CB G:SER54 3.7 125.2 1.0 O1G G:ANP403 3.7 100.1 1.0 O3A G:ANP403 3.7 100.1 1.0 N G:GLY53 3.9 121.4 1.0 C G:THR52 4.2 119.3 1.0 CA G:SER54 4.2 125.2 1.0 O1A G:ANP403 4.6 100.1 1.0 C5' G:ANP403 4.7 100.1 1.0 PA G:ANP403 4.7 100.1 1.0 MG G:MG402 4.8 84.5 1.0

Magnesium binding site 4 out of 4 in the Dephosphorylated (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 Dephosphorylated (E1371Q)Cftr in Complex with Pka-C within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg402 b:84.5 occ:1.00 OD1 G:ASP185 2.3 81.1 1.0 O1A G:ANP403 2.4 100.1 1.0 N3B G:ANP403 2.6 100.1 1.0 O1G G:ANP403 2.8 100.1 1.0 PG G:ANP403 3.1 100.1 1.0 OD1 G:ASN172 3.2 66.7 1.0 CG G:ASP185 3.4 81.1 1.0 O G:GLU171 3.7 66.1 1.0 PA G:ANP403 3.8 100.1 1.0 O2G G:ANP403 3.9 100.1 1.0 CB G:ASP185 3.9 81.1 1.0 PB G:ANP403 4.0 100.1 1.0 CG G:ASN172 4.0 66.7 1.0 O3A G:ANP403 4.4 100.1 1.0 O1B G:ANP403 4.4 100.1 1.0 O3G G:ANP403 4.4 100.1 1.0 O2A G:ANP403 4.4 100.1 1.0 OD2 G:ASP185 4.5 81.1 1.0 ND2 G:ASN172 4.5 66.7 1.0 C G:GLU171 4.5 66.1 1.0 CA G:ASN172 4.7 66.7 1.0 O5' G:ANP403 4.8 100.1 1.0 MG G:MG401 4.8 109.3 1.0 C5' G:ANP403 4.9 100.1 1.0 CB G:ASN172 4.9 66.7 1.0 CE G:LYS169 5.0 61.9 1.0 N G:ASN172 5.0 66.7 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.