Iron in PDB 9clo: Dosp R97A with C-Di-Gmp

All present enzymatic activity of Dosp R97A with C-Di-Gmp:
3.1.4.52;

The structure of Dosp R97A with C-Di-Gmp also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Iron atom in the Dosp R97A with C-Di-Gmp (pdb code 9clo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dosp R97A with C-Di-Gmp, PDB code: 9clo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dosp R97A with C-Di-Gmp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dosp R97A with C-Di-Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:74.1 occ:1.00 FE A:HEM901 0.0 74.1 1.0 ND A:HEM901 2.0 65.4 1.0 NB A:HEM901 2.1 69.7 1.0 NC A:HEM901 2.1 74.4 1.0 NA A:HEM901 2.1 73.1 1.0 C1A A:HEM901 3.1 74.4 1.0 C4B A:HEM901 3.1 70.5 1.0 C4A A:HEM901 3.1 71.6 1.0 C4D A:HEM901 3.1 71.8 1.0 C1C A:HEM901 3.1 70.0 1.0 C1D A:HEM901 3.1 69.2 1.0 C1B A:HEM901 3.1 71.4 1.0 C4C A:HEM901 3.1 73.8 1.0 NE2 A:HIS77 3.2 88.1 1.0 CHC A:HEM901 3.4 70.1 1.0 CHA A:HEM901 3.4 77.5 1.0 CHB A:HEM901 3.4 70.6 1.0 CHD A:HEM901 3.4 73.9 1.0 SD A:MET95 3.6 75.6 1.0 CD2 A:HIS77 3.6 85.8 1.0 CE1 A:HIS77 4.1 88.4 1.0 C2A A:HEM901 4.2 71.9 1.0 C3A A:HEM901 4.2 72.2 1.0 C3B A:HEM901 4.3 73.1 1.0 C2B A:HEM901 4.3 73.5 1.0 C3D A:HEM901 4.3 69.7 1.0 C2D A:HEM901 4.3 71.1 1.0 C2C A:HEM901 4.3 69.7 1.0 C3C A:HEM901 4.3 70.5 1.0 CG A:MET95 4.3 66.1 1.0 CE A:MET95 4.4 68.9 1.0 CG A:HIS77 4.7 88.2 1.0 CB A:MET95 4.9 65.2 1.0 ND1 A:HIS77 4.9 87.7 1.0

Iron binding site 2 out of 2 in the Dosp R97A with C-Di-Gmp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dosp R97A with C-Di-Gmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe902 b:84.7 occ:1.00 FE B:HEM902 0.0 84.7 1.0 ND B:HEM902 2.0 70.7 1.0 NA B:HEM902 2.0 79.4 1.0 NC B:HEM902 2.1 77.8 1.0 NB B:HEM902 2.1 79.0 1.0 C1D B:HEM902 3.1 73.7 1.0 C1A B:HEM902 3.1 75.0 1.0 C4A B:HEM902 3.1 79.8 1.0 NE2 B:HIS77 3.1 88.7 1.0 C4C B:HEM902 3.1 77.5 1.0 C1C B:HEM902 3.1 75.9 1.0 C4D B:HEM902 3.1 72.2 1.0 C4B B:HEM902 3.1 74.8 1.0 C1B B:HEM902 3.1 77.5 1.0 SD B:MET95 3.2 83.5 1.0 CD2 B:HIS77 3.3 88.4 1.0 CHD B:HEM902 3.4 79.1 1.0 CHB B:HEM902 3.4 79.6 1.0 CHA B:HEM902 3.4 73.5 1.0 CHC B:HEM902 3.4 76.2 1.0 CG B:MET95 4.0 77.3 1.0 C2A B:HEM902 4.3 76.2 1.0 C3A B:HEM902 4.3 77.7 1.0 C2D B:HEM902 4.3 73.3 1.0 C3D B:HEM902 4.3 75.1 1.0 C2C B:HEM902 4.3 73.2 1.0 C3C B:HEM902 4.3 73.8 1.0 C2B B:HEM902 4.3 76.2 1.0 C3B B:HEM902 4.3 73.4 1.0 CE1 B:HIS77 4.3 87.7 1.0 CE B:MET95 4.4 70.4 1.0 CG B:HIS77 4.6 89.8 1.0

W.Wu, P.Kumar, C.A.Brautigam, S.C.Tso, H.R.Baniasadi, D.L.Kober, M.A.Gilles-Gonzalez. Structures of the Multi-Domain Oxygen Sensor Dosp: Remote Control of A C-Di-Gmp Phosphodiesterase By A Regulatory Pas Domain Nat Commun V. 15 9653 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-53942-7