Fluorine in PDB 6roi: Cryo-Em Structure of the Partially Activated DRS2P-CDC50P

All present enzymatic activity of Cryo-Em Structure of the Partially Activated DRS2P-CDC50P:
7.6.2.1;

The structure of Cryo-Em Structure of the Partially Activated DRS2P-CDC50P also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of the Partially Activated DRS2P-CDC50P (pdb code 6roi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of the Partially Activated DRS2P-CDC50P, PDB code: 6roi:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of the Partially Activated DRS2P-CDC50P


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of the Partially Activated DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:71.9 occ:1.00 F1 A:BFD560 0.0 71.9 1.0 BE A:BFD560 1.5 71.9 1.0 ND2 A:ASN957 2.4 83.3 1.0 OD1 A:BFD560 2.4 71.9 1.0 F2 A:BFD560 2.4 71.9 1.0 O A:HOH1601 2.5 77.6 1.0 F3 A:BFD560 2.5 71.9 1.0 CG A:ASN957 3.1 83.3 1.0 CG A:BFD560 3.1 71.9 1.0 OD1 A:ASN957 3.1 83.3 1.0 NZ A:LYS934 3.3 80.1 1.0 MG A:MG1501 3.4 82.6 1.0 OD2 A:BFD560 3.5 71.9 1.0 O A:HOH1602 4.1 80.1 1.0 CB A:BFD560 4.2 71.9 1.0 CA A:GLY341 4.5 87.2 1.0 CB A:ASN957 4.5 83.3 1.0 N A:GLY341 4.5 87.2 1.0 OD1 A:ASP958 4.6 81.4 1.0 O A:ASP954 4.6 74.3 1.0 CG A:ASP958 4.6 81.4 1.0 C A:ASP340 4.7 91.1 1.0 CE A:LYS934 4.7 80.1 1.0 O A:THR562 4.7 71.2 1.0 O A:ASP340 4.7 91.1 1.0 N A:GLY836 4.8 84.6 1.0 OG1 A:THR562 4.8 71.2 1.0 CB A:ASP958 4.8 81.4 1.0 O A:LEU834 5.0 68.8 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of the Partially Activated DRS2P-CDC50P


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of the Partially Activated DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:71.9 occ:1.00 F2 A:BFD560 0.0 71.9 1.0 BE A:BFD560 1.5 71.9 1.0 MG A:MG1501 1.7 82.6 1.0 O A:HOH1601 2.3 77.6 1.0 F1 A:BFD560 2.4 71.9 1.0 O A:THR562 2.4 71.2 1.0 O A:HOH1602 2.5 80.1 1.0 F3 A:BFD560 2.5 71.9 1.0 OD1 A:BFD560 2.5 71.9 1.0 OD2 A:BFD560 2.8 71.9 1.0 OG1 A:THR562 2.9 71.2 1.0 CG A:BFD560 3.0 71.9 1.0 C A:THR562 3.4 71.2 1.0 N A:THR562 3.7 71.2 1.0 CA A:THR562 3.8 71.2 1.0 CB A:THR562 3.9 71.2 1.0 OD1 A:ASP954 4.0 74.3 1.0 CA A:GLY341 4.0 87.2 1.0 ND2 A:ASN957 4.1 83.3 1.0 O A:ALA337 4.3 86.5 1.0 O A:ASP340 4.4 91.1 1.0 CB A:BFD560 4.5 71.9 1.0 N A:GLY563 4.6 67.3 1.0 N A:LYS561 4.6 72.0 1.0 OD1 A:ASN957 4.7 83.3 1.0 O A:ASP954 4.7 74.3 1.0 N A:GLY341 4.7 87.2 1.0 C A:LYS561 4.8 72.0 1.0 C A:ASP340 4.8 91.1 1.0 CG A:ASN957 4.8 83.3 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of the Partially Activated DRS2P-CDC50P


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of the Partially Activated DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:71.9 occ:1.00 F3 A:BFD560 0.0 71.9 1.0 BE A:BFD560 1.5 71.9 1.0 OD1 A:BFD560 2.4 71.9 1.0 F2 A:BFD560 2.5 71.9 1.0 F1 A:BFD560 2.5 71.9 1.0 CA A:GLY341 3.2 87.2 1.0 N A:GLY836 3.2 84.6 1.0 OG1 A:THR562 3.3 71.2 1.0 OG1 A:THR835 3.5 77.3 1.0 CG A:BFD560 3.6 71.9 1.0 CA A:THR835 3.7 77.3 1.0 C A:THR835 3.9 77.3 1.0 N A:THR562 3.9 71.2 1.0 N A:GLY341 3.9 87.2 1.0 N A:LYS561 4.0 72.0 1.0 ND2 A:ASN957 4.0 83.3 1.0 MG A:MG1501 4.1 82.6 1.0 CB A:THR835 4.1 77.3 1.0 CA A:GLY836 4.2 84.6 1.0 OD2 A:BFD560 4.2 71.9 1.0 O A:HOH1601 4.2 77.6 1.0 O A:THR562 4.4 71.2 1.0 C A:GLY341 4.4 87.2 1.0 CB A:THR562 4.5 71.2 1.0 NZ A:LYS934 4.6 80.1 1.0 O A:GLY341 4.6 87.2 1.0 O A:LEU834 4.6 68.8 1.0 C A:ASP340 4.7 91.1 1.0 CA A:THR562 4.7 71.2 1.0 CB A:BFD560 4.7 71.9 1.0 CA A:LYS561 4.7 72.0 1.0 CB A:LYS561 4.8 72.0 1.0 C A:LYS561 4.8 72.0 1.0 O A:ASP340 4.8 91.1 1.0 O A:HOH1602 4.9 80.1 1.0 C A:BFD560 4.9 71.9 1.0 N A:ASP837 4.9 88.8 1.0 CA A:BFD560 4.9 71.9 1.0 O A:THR835 4.9 77.3 1.0 N A:THR835 5.0 77.3 1.0 C A:GLY836 5.0 84.6 1.0

M.Timcenko, J.A.Lyons, D.Januliene, J.J.Ulstrup, T.Dieudonne, C.Montigny, M.R.Ash, J.L.Karlsen, T.Boesen, W.Kuhlbrandt, G.Lenoir, A.Moeller, P.Nissen. Structure and Autoregulation of A P4-Atpase Lipid Flippase. Nature V. 571 366 2019.
ISSN: ESSN 1476-4687
PubMed: 31243363
DOI: 10.1038/S41586-019-1344-7