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

All present enzymatic activity of Cryo-Em Structure of the Activated DRS2P-CDC50P:
7.2.4.2; 7.6.2.1;

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

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of the 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 Activated DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:58.6 occ:1.00 F1 A:BFD560 0.0 58.6 1.0 BE A:BFD560 1.5 58.6 1.0 F2 A:BFD560 2.4 58.6 1.0 OD1 A:BFD560 2.4 58.6 1.0 F3 A:BFD560 2.5 58.6 1.0 ND2 A:ASN957 2.7 64.0 1.0 NZ A:LYS934 3.1 57.8 1.0 CG A:BFD560 3.6 58.6 1.0 O A:HOH1602 3.6 60.7 1.0 N A:GLY836 3.6 65.2 1.0 CG A:ASN957 3.7 64.0 1.0 CE A:LYS934 3.9 57.8 1.0 MG A:MG1501 3.9 62.8 1.0 CA A:GLY341 3.9 70.7 1.0 N A:GLY341 3.9 70.7 1.0 OD1 A:ASN957 4.0 64.0 1.0 O A:ASP340 4.0 74.6 1.0 OD2 A:BFD560 4.1 58.6 1.0 C A:ASP340 4.1 74.6 1.0 CA A:THR835 4.2 62.0 1.0 OG1 A:THR835 4.2 62.0 1.0 C A:THR835 4.3 62.0 1.0 CA A:GLY836 4.5 65.2 1.0 O A:HOH1601 4.7 61.4 1.0 O A:LEU834 4.8 56.2 1.0 CB A:THR835 4.8 62.0 1.0 CB A:BFD560 4.8 58.6 1.0 OD2 A:ASP958 4.9 60.1 1.0 CB A:ASN957 4.9 64.0 1.0 N A:THR562 5.0 59.9 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of the 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 Activated DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:58.6 occ:1.00 F2 A:BFD560 0.0 58.6 1.0 BE A:BFD560 1.5 58.6 1.0 MG A:MG1501 1.7 62.8 1.0 F1 A:BFD560 2.4 58.6 1.0 O A:HOH1602 2.5 60.7 1.0 F3 A:BFD560 2.5 58.6 1.0 O A:HOH1601 2.6 61.4 1.0 OD1 A:BFD560 2.6 58.6 1.0 O A:THR562 2.7 59.9 1.0 OD2 A:BFD560 2.7 58.6 1.0 CG A:BFD560 3.0 58.6 1.0 N A:THR562 3.5 59.9 1.0 CB A:THR562 3.5 59.9 1.0 C A:THR562 3.6 59.9 1.0 CA A:THR562 3.7 59.9 1.0 OD1 A:ASP954 3.9 58.1 1.0 ND2 A:ASN957 3.9 64.0 1.0 CA A:GLY341 4.1 70.7 1.0 OG1 A:THR562 4.1 59.9 1.0 O A:ASP340 4.1 74.6 1.0 OD1 A:ASN957 4.4 64.0 1.0 N A:LYS561 4.4 60.0 1.0 CB A:BFD560 4.5 58.6 1.0 C A:LYS561 4.5 60.0 1.0 O A:ASP954 4.6 58.1 1.0 CG A:ASN957 4.6 64.0 1.0 NZ A:LYS934 4.6 57.8 1.0 O A:ALA337 4.6 72.3 1.0 CG2 A:THR562 4.7 59.9 1.0 N A:GLY341 4.7 70.7 1.0 C A:ASP340 4.8 74.6 1.0 OD2 A:ASP958 4.8 60.1 1.0 N A:GLY563 4.8 58.6 1.0 OG1 A:THR564 5.0 56.6 1.0 CG A:ASP954 5.0 58.1 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of the 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 Activated DRS2P-CDC50P within 5.0Å range: probe atom residue distance (Å) B Occ A:F560 b:58.6 occ:1.00 F3 A:BFD560 0.0 58.6 1.0 BE A:BFD560 1.5 58.6 1.0 OD1 A:BFD560 2.5 58.6 1.0 F2 A:BFD560 2.5 58.6 1.0 F1 A:BFD560 2.5 58.6 1.0 N A:THR562 2.8 59.9 1.0 OG1 A:THR835 2.8 62.0 1.0 N A:LYS561 3.1 60.0 1.0 CG A:BFD560 3.4 58.6 1.0 OG1 A:THR562 3.4 59.9 1.0 CB A:THR835 3.5 62.0 1.0 CA A:LYS561 3.6 60.0 1.0 CB A:LYS561 3.6 60.0 1.0 C A:LYS561 3.7 60.0 1.0 CB A:THR562 3.7 59.9 1.0 CA A:THR835 3.7 62.0 1.0 CA A:THR562 3.8 59.9 1.0 OD2 A:BFD560 3.9 58.6 1.0 MG A:MG1501 3.9 62.8 1.0 N A:GLY836 4.0 65.2 1.0 CA A:GLY341 4.0 70.7 1.0 O A:THR562 4.2 59.9 1.0 C A:BFD560 4.2 58.6 1.0 NZ A:LYS934 4.4 57.8 1.0 C A:THR835 4.5 62.0 1.0 C A:THR562 4.5 59.9 1.0 CB A:BFD560 4.5 58.6 1.0 O A:LEU834 4.5 56.2 1.0 CA A:BFD560 4.6 58.6 1.0 O A:HOH1602 4.8 60.7 1.0 O A:HOH1601 4.8 61.4 1.0 N A:GLY341 4.8 70.7 1.0 O A:LYS561 4.8 60.0 1.0 CG A:LYS561 4.9 60.0 1.0 N A:THR835 4.9 62.0 1.0 OD2 A:ASP837 4.9 70.7 1.0 CG2 A:THR835 5.0 62.0 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