Iron in PDB 6obn: The Crystal Structure of Coexpressed SDS22:PP1 Complex

All present enzymatic activity of The Crystal Structure of Coexpressed SDS22:PP1 Complex:
3.1.3.16;

The structure of The Crystal Structure of Coexpressed SDS22:PP1 Complex, PDB code: 6obn was solved by M.S.Choy, T.M.Moon, J.A.Bray, T.L.Archuleta, W.Shi, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 2.70
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.147, 94.147, 545.819, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24.6

The structure of The Crystal Structure of Coexpressed SDS22:PP1 Complex also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iron atom in the The Crystal Structure of Coexpressed SDS22:PP1 Complex (pdb code 6obn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Crystal Structure of Coexpressed SDS22:PP1 Complex, PDB code: 6obn:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Crystal Structure of Coexpressed SDS22:PP1 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Coexpressed SDS22:PP1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:60.4 occ:1.00 OD2 A:ASP92 2.1 49.5 1.0 O4 A:PO4401 2.2 49.1 1.0 O A:HOH505 2.2 54.6 1.0 OD1 A:ASN124 2.2 50.0 1.0 ND1 A:HIS248 2.3 50.2 1.0 NE2 A:HIS173 2.3 42.0 1.0 CE1 A:HIS248 2.9 46.3 1.0 CG A:ASP92 3.1 46.1 1.0 CE1 A:HIS173 3.2 39.2 1.0 CG A:ASN124 3.2 43.2 1.0 CD2 A:HIS173 3.4 39.9 1.0 CG A:HIS248 3.5 43.4 1.0 OD1 A:ASP92 3.5 42.9 1.0 P A:PO4401 3.6 69.2 1.0 ND2 A:ASN124 3.6 46.3 1.0 CA A:HIS248 3.9 42.1 1.0 OD2 A:ASP64 3.9 46.6 1.0 O A:HIS248 4.0 42.9 1.0 CB A:HIS248 4.1 43.6 1.0 O3 A:PO4401 4.1 84.1 1.0 NE2 A:HIS248 4.1 44.2 1.0 CD2 A:HIS125 4.2 45.6 1.0 O2 A:PO4401 4.3 66.2 1.0 CB A:ASP92 4.4 40.9 1.0 ND1 A:HIS173 4.4 39.0 1.0 CD2 A:HIS248 4.4 40.8 1.0 C A:HIS248 4.4 44.4 1.0 CG A:HIS173 4.5 36.4 1.0 CB A:ASN124 4.6 35.8 1.0 O1 A:PO4401 4.6 72.7 1.0 N A:ASN124 4.7 37.7 1.0 NE2 A:HIS125 4.7 49.7 1.0 NH2 A:ARG221 4.8 52.8 1.0 CG A:ASP64 4.8 44.7 1.0 O A:LEU205 4.9 42.3 1.0 N A:HIS248 5.0 38.7 1.0

Iron binding site 2 out of 2 in the The Crystal Structure of Coexpressed SDS22:PP1 Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Coexpressed SDS22:PP1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:66.9 occ:1.00 OD2 B:ASP92 1.9 54.2 1.0 OD1 B:ASN124 2.2 59.6 1.0 O3 B:PO4401 2.2 72.4 1.0 ND1 B:HIS248 2.3 50.1 1.0 NE2 B:HIS173 2.3 54.4 1.0 O B:HOH501 2.5 79.8 1.0 CG B:ASP92 2.9 55.3 1.0 CE1 B:HIS248 2.9 52.9 1.0 CE1 B:HIS173 3.2 47.6 1.0 CG B:ASN124 3.3 52.5 1.0 OD1 B:ASP92 3.4 56.6 1.0 P B:PO4401 3.4 89.1 1.0 CD2 B:HIS173 3.4 47.2 1.0 O1 B:PO4401 3.4 81.3 1.0 CG B:HIS248 3.5 52.6 1.0 ND2 B:ASN124 3.6 48.6 1.0 OD2 B:ASP64 3.9 57.5 1.0 CA B:HIS248 3.9 51.6 1.0 CB B:HIS248 4.1 46.5 1.0 O B:HIS248 4.1 63.7 1.0 NE2 B:HIS248 4.2 51.1 1.0 CB B:ASP92 4.2 50.0 1.0 O2 B:PO4401 4.3 82.9 1.0 ND1 B:HIS173 4.3 47.2 1.0 CD2 B:HIS125 4.4 58.3 1.0 O4 B:PO4401 4.4 77.3 1.0 CD2 B:HIS248 4.5 52.8 1.0 CG B:HIS173 4.5 44.5 1.0 C B:HIS248 4.5 57.7 1.0 CB B:ASN124 4.6 46.5 1.0 N B:ASN124 4.7 45.4 1.0 CG B:ASP64 4.8 52.2 1.0 NE2 B:HIS125 4.8 63.2 1.0 CE1 B:HIS66 4.9 64.4 1.0 N B:HIS248 4.9 44.5 1.0 O B:LEU205 5.0 47.3 1.0

M.S.Choy, T.M.Moon, R.Ravindran, J.A.Bray, L.C.Robinson, T.L.Archuleta, W.Shi, W.Peti, K.Tatchell, R.Page. SDS22 Selectively Recognizes and Traps Metal-Deficient Inactive PP1. Proc.Natl.Acad.Sci.Usa V. 116 20472 2019.
ISSN: ESSN 1091-6490
PubMed: 31548429
DOI: 10.1073/PNAS.1908718116