Iron in PDB 6zk6: Protein Phosphatase 1 (PP1) T320E Mutant

All present enzymatic activity of Protein Phosphatase 1 (PP1) T320E Mutant:
3.1.3.16;

The structure of Protein Phosphatase 1 (PP1) T320E Mutant, PDB code: 6zk6 was solved by F.Salvi, O.Barabas, M.Koehn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.22 / 1.90
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.546, 68.749, 127.846, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.4

The structure of Protein Phosphatase 1 (PP1) T320E Mutant also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Iron atom in the Protein Phosphatase 1 (PP1) T320E Mutant (pdb code 6zk6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Protein Phosphatase 1 (PP1) T320E Mutant, PDB code: 6zk6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Protein Phosphatase 1 (PP1) T320E Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Protein Phosphatase 1 (PP1) T320E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:23.2 occ:0.50 MN A:MN401 0.5 26.8 0.5 OD1 A:ASN124 1.9 28.3 1.0 NE2 A:HIS173 2.1 28.8 1.0 O3 A:PO4405 2.2 30.6 1.0 ND1 A:HIS248 2.2 27.9 1.0 OD2 A:ASP92 2.3 31.2 1.0 O A:HOH542 2.4 31.6 1.0 CE1 A:HIS248 2.9 29.0 1.0 CG A:ASN124 3.0 26.9 1.0 CD2 A:HIS173 3.0 24.4 1.0 CE1 A:HIS173 3.1 25.1 1.0 MN A:MN402 3.1 32.3 0.5 CG A:ASP92 3.2 28.0 1.0 CG A:HIS248 3.4 28.6 1.0 ND2 A:ASN124 3.5 25.8 1.0 OD1 A:ASP92 3.5 25.5 1.0 P A:PO4405 3.5 33.8 1.0 FE A:FE404 3.7 31.1 0.5 O1 A:PO4405 3.7 32.6 1.0 CA A:HIS248 3.9 26.8 1.0 CB A:HIS248 4.0 25.9 1.0 NE2 A:HIS248 4.2 30.0 1.0 O4 A:PO4405 4.2 34.6 1.0 ND1 A:HIS173 4.2 24.8 1.0 CG A:HIS173 4.2 23.3 1.0 OD2 A:ASP64 4.2 36.3 1.0 N A:ASN124 4.3 23.2 1.0 CB A:ASN124 4.3 25.0 1.0 O A:HIS248 4.3 31.4 1.0 CD2 A:HIS125 4.4 26.3 1.0 CD2 A:HIS248 4.4 27.3 1.0 CB A:ASP92 4.4 26.7 1.0 O A:LEU205 4.5 28.1 1.0 O2 A:PO4405 4.6 34.9 1.0 C A:HIS248 4.6 31.6 1.0 CA A:ASN124 4.8 25.4 1.0 N A:HIS248 5.0 25.1 1.0

Iron binding site 2 out of 2 in the Protein Phosphatase 1 (PP1) T320E Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Protein Phosphatase 1 (PP1) T320E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:31.1 occ:0.50 MN A:MN402 0.7 32.3 0.5 O A:HOH550 2.0 30.3 1.0 O1 A:PO4405 2.0 32.6 1.0 NE2 A:HIS66 2.1 33.3 1.0 OD2 A:ASP64 2.1 36.3 1.0 O A:HOH542 2.2 31.6 1.0 OD2 A:ASP92 2.6 31.2 1.0 CD2 A:HIS66 3.0 30.1 1.0 CE1 A:HIS66 3.1 30.7 1.0 MN A:MN401 3.3 26.8 0.5 P A:PO4405 3.3 33.8 1.0 CG A:ASP64 3.4 32.7 1.0 CG A:ASP92 3.5 28.0 1.0 O3 A:PO4405 3.6 30.6 1.0 FE A:FE403 3.7 23.2 0.5 O4 A:PO4405 3.8 34.6 1.0 CB A:ASP92 3.9 26.7 1.0 O A:HOH507 3.9 41.1 1.0 NH2 A:ARG96 3.9 33.6 1.0 OH A:TYR272 4.0 41.9 1.0 CG A:HIS66 4.2 30.4 1.0 CB A:ASP64 4.2 32.4 1.0 ND1 A:HIS66 4.2 30.7 1.0 OD1 A:ASP64 4.2 32.6 1.0 O2 A:PO4405 4.5 34.9 1.0 CD2 A:HIS125 4.5 26.3 1.0 O A:HIS248 4.6 31.4 1.0 CE1 A:PHE267 4.6 32.7 1.0 OD1 A:ASP92 4.7 25.5 1.0 NE2 A:HIS173 4.7 28.8 1.0 CE1 A:HIS173 4.8 25.1 1.0 NE2 A:HIS125 4.8 27.7 1.0 CZ A:TYR272 4.8 41.4 1.0 CA A:HIS248 4.8 26.8 1.0 C A:HIS248 4.9 31.6 1.0

M.Kohn, F.Salvi, B.Hoermann, J.Del Pino Garcia, M.Fontanillo, R.Derua, M.Beullens, M.Bollen, O.Barabas. Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition By Its C-Terminal Phosphorylation. Chembiochem 2020.
ISSN: ESSN 1439-7633
PubMed: 33085143
DOI: 10.1002/CBIC.202000669