Fluorine in PDB 6roh: Cryo-Em Structure of the Autoinhibited DRS2P-CDC50P

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

The structure of Cryo-Em Structure of the Autoinhibited 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 Autoinhibited DRS2P-CDC50P (pdb code 6roh). 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 Autoinhibited DRS2P-CDC50P, PDB code: 6roh:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of the Autoinhibited 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 Autoinhibited DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:55.8 occ:1.00 F1 A:BFD560 0.0 55.8 1.0 BE A:BFD560 1.5 55.8 1.0 F2 A:BFD560 2.4 55.8 1.0 OD1 A:BFD560 2.4 55.8 1.0 F3 A:BFD560 2.5 55.8 1.0 ND2 A:ASN957 2.7 61.6 1.0 NZ A:LYS934 3.3 60.1 1.0 N A:GLY836 3.3 62.0 1.0 CA A:GLY341 3.5 64.7 1.0 CG A:BFD560 3.6 55.8 1.0 N A:GLY341 3.7 64.7 1.0 CG A:ASN957 3.7 61.6 1.0 O A:HOH2202 3.8 55.7 1.0 MG A:MG2102 3.9 56.3 1.0 OD1 A:ASN957 4.0 61.6 1.0 CA A:THR835 4.1 60.0 1.0 OG1 A:THR835 4.1 60.0 1.0 CA A:GLY836 4.2 62.0 1.0 C A:THR835 4.2 60.0 1.0 OD2 A:BFD560 4.2 55.8 1.0 C A:ASP340 4.2 68.5 1.0 O A:ASP340 4.5 68.5 1.0 CB A:THR835 4.6 60.0 1.0 O A:LEU834 4.7 54.5 1.0 O A:HOH2201 4.7 55.5 1.0 CE A:LYS934 4.7 60.1 1.0 N A:THR562 4.8 55.1 1.0 CB A:BFD560 4.8 55.8 1.0 OD2 A:ASP958 4.8 59.4 1.0 CB A:THR562 4.8 55.1 1.0 C A:GLY341 4.9 64.7 1.0 N A:LYS561 4.9 55.0 1.0 OG1 A:THR562 5.0 55.1 1.0 O A:THR562 5.0 55.1 1.0 C A:GLY836 5.0 62.0 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of the Autoinhibited 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 Autoinhibited DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:55.8 occ:1.00 F2 A:BFD560 0.0 55.8 1.0 BE A:BFD560 1.5 55.8 1.0 MG A:MG2102 1.7 56.3 1.0 O A:HOH2201 2.4 55.5 1.0 F1 A:BFD560 2.4 55.8 1.0 O A:HOH2202 2.5 55.7 1.0 F3 A:BFD560 2.5 55.8 1.0 OD1 A:BFD560 2.5 55.8 1.0 O A:THR562 2.6 55.1 1.0 OD2 A:BFD560 2.8 55.8 1.0 CG A:BFD560 3.0 55.8 1.0 CB A:THR562 3.4 55.1 1.0 C A:THR562 3.5 55.1 1.0 N A:THR562 3.5 55.1 1.0 CA A:THR562 3.6 55.1 1.0 OD1 A:ASP954 3.8 55.4 1.0 OD1 A:ASN957 4.0 61.6 1.0 CA A:GLY341 4.0 64.7 1.0 ND2 A:ASN957 4.2 61.6 1.0 OG1 A:THR562 4.2 55.1 1.0 O A:ALA337 4.3 63.6 1.0 CG2 A:THR562 4.4 55.1 1.0 C A:LYS561 4.5 55.0 1.0 CG A:ASN957 4.5 61.6 1.0 OD2 A:ASP958 4.5 59.4 1.0 CB A:BFD560 4.5 55.8 1.0 N A:LYS561 4.6 55.0 1.0 O A:ASP954 4.7 55.4 1.0 O A:ASP340 4.7 68.5 1.0 N A:GLY563 4.7 53.9 1.0 N A:GLY341 4.8 64.7 1.0 NZ A:LYS934 4.9 60.1 1.0 CG A:ASP954 4.9 55.4 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of the Autoinhibited 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 Autoinhibited DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:55.8 occ:1.00 F3 A:BFD560 0.0 55.8 1.0 BE A:BFD560 1.5 55.8 1.0 OD1 A:BFD560 2.5 55.8 1.0 F2 A:BFD560 2.5 55.8 1.0 N A:THR562 2.5 55.1 1.0 F1 A:BFD560 2.5 55.8 1.0 N A:LYS561 3.0 55.0 1.0 OG1 A:THR835 3.1 60.0 1.0 CG A:BFD560 3.3 55.8 1.0 C A:LYS561 3.3 55.0 1.0 CB A:THR562 3.3 55.1 1.0 OG1 A:THR562 3.4 55.1 1.0 CA A:LYS561 3.4 55.0 1.0 CA A:THR562 3.4 55.1 1.0 CB A:LYS561 3.5 55.0 1.0 CB A:THR835 3.6 60.0 1.0 OD2 A:BFD560 3.8 55.8 1.0 MG A:MG2102 3.8 56.3 1.0 O A:THR562 3.9 55.1 1.0 CA A:THR835 4.0 60.0 1.0 C A:BFD560 4.1 55.8 1.0 CA A:GLY341 4.1 64.7 1.0 C A:THR562 4.1 55.1 1.0 N A:GLY836 4.3 62.0 1.0 CB A:BFD560 4.4 55.8 1.0 O A:LYS561 4.5 55.0 1.0 CA A:BFD560 4.5 55.8 1.0 O A:HOH2201 4.6 55.5 1.0 C A:THR835 4.7 60.0 1.0 CG A:LYS561 4.7 55.0 1.0 O A:LEU834 4.8 54.5 1.0 O A:HOH2202 4.8 55.7 1.0 CG2 A:THR562 4.8 55.1 1.0 O A:GLY341 4.8 64.7 1.0 CE A:LYS561 4.9 55.0 1.0 NZ A:LYS934 4.9 60.1 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