Fluorine in PDB 7kyc: Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State

All present enzymatic activity of Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State:
7.6.2.1;

The structure of Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State (pdb code 7kyc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State, PDB code: 7kyc:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1601 b:20.0 occ:1.00 F1 A:BEF1601 0.0 20.0 1.0 BE A:BEF1601 1.5 20.0 1.0 OD2 A:ASP667 2.1 25.8 1.0 F3 A:BEF1601 2.5 20.0 1.0 F2 A:BEF1601 2.6 20.0 1.0 NZ A:LYS1110 2.8 25.4 1.0 CG A:ASP667 3.0 25.8 1.0 ND2 A:ASN1133 3.1 31.3 1.0 N A:GLY990 3.2 35.9 1.0 OD1 A:ASP667 3.6 25.8 1.0 CE A:LYS1110 3.9 25.4 1.0 C A:THR989 3.9 31.6 1.0 CA A:THR989 3.9 31.6 1.0 CA A:GLY440 4.0 42.4 1.0 CA A:GLY990 4.1 35.9 1.0 N A:GLY440 4.1 42.4 1.0 CB A:ASP667 4.1 25.8 1.0 CG A:ASN1133 4.2 31.3 1.0 CG2 A:THR989 4.3 31.6 1.0 O A:LEU988 4.3 25.4 1.0 C A:ASP439 4.4 42.5 1.0 OD1 A:ASP1134 4.4 28.4 1.0 MG A:MG1602 4.4 30.0 1.0 O A:ASP439 4.5 42.5 1.0 CA A:ASP667 4.6 25.8 1.0 N A:LYS668 4.6 28.1 1.0 CB A:ASN1133 4.6 31.3 1.0 CB A:THR989 4.8 31.6 1.0 N A:THR669 4.8 31.9 1.0 O A:THR989 4.9 31.6 1.0 N A:THR989 4.9 31.6 1.0 C A:GLY990 5.0 35.9 1.0

Fluorine binding site 2 out of 3 in the Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1601 b:20.0 occ:1.00 F2 A:BEF1601 0.0 20.0 1.0 BE A:BEF1601 1.6 20.0 1.0 MG A:MG1602 2.1 30.0 1.0 OD1 A:ASP667 2.2 25.8 1.0 OD2 A:ASP667 2.4 25.8 1.0 F3 A:BEF1601 2.5 20.0 1.0 F1 A:BEF1601 2.6 20.0 1.0 CG A:ASP667 2.6 25.8 1.0 O A:THR669 2.7 31.9 1.0 CB A:THR669 3.6 31.9 1.0 C A:THR669 3.6 31.9 1.0 N A:THR669 3.6 31.9 1.0 CA A:GLY440 3.7 42.4 1.0 CA A:THR669 3.7 31.9 1.0 ND2 A:ASN1133 3.9 31.3 1.0 O A:ASP439 3.9 42.5 1.0 CB A:ASP667 4.1 25.8 1.0 OD1 A:ASP1130 4.1 32.9 1.0 O A:ASP1130 4.3 32.9 1.0 O A:LYS436 4.3 38.1 1.0 CG2 A:THR669 4.3 31.9 1.0 N A:GLY440 4.3 42.4 1.0 C A:ASP439 4.4 42.5 1.0 OG1 A:THR669 4.6 31.9 1.0 N A:LYS668 4.8 28.1 1.0 OD2 A:ASP1134 4.8 28.4 1.0 C A:LYS668 4.8 28.1 1.0 N A:GLY670 4.8 27.3 1.0 C A:GLY440 4.9 42.4 1.0 NZ A:LYS1110 4.9 25.4 1.0 C A:ASP667 5.0 25.8 1.0

Fluorine binding site 3 out of 3 in the Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1601 b:20.0 occ:1.00 F3 A:BEF1601 0.0 20.0 1.0 BE A:BEF1601 1.5 20.0 1.0 F2 A:BEF1601 2.5 20.0 1.0 F1 A:BEF1601 2.5 20.0 1.0 CA A:GLY440 2.8 42.4 1.0 OD2 A:ASP667 2.8 25.8 1.0 CG2 A:THR989 2.9 31.6 1.0 CB A:THR669 3.1 31.9 1.0 N A:THR669 3.1 31.9 1.0 OG1 A:THR669 3.3 31.9 1.0 N A:GLY990 3.7 35.9 1.0 CA A:THR669 3.7 31.9 1.0 N A:GLY440 3.7 42.4 1.0 CG A:ASP667 3.8 25.8 1.0 C A:GLY440 3.9 42.4 1.0 O A:GLY440 4.0 42.4 1.0 OD1 A:ASP667 4.1 25.8 1.0 CB A:THR989 4.1 31.6 1.0 CA A:THR989 4.1 31.6 1.0 C A:LYS668 4.2 28.1 1.0 N A:LYS668 4.2 28.1 1.0 O A:THR669 4.2 31.9 1.0 CB A:ASP991 4.3 42.4 1.0 N A:ASP991 4.4 42.4 1.0 CG2 A:THR669 4.4 31.9 1.0 CB A:LYS668 4.4 28.1 1.0 CA A:LYS668 4.4 28.1 1.0 C A:THR989 4.4 31.6 1.0 C A:THR669 4.5 31.9 1.0 C A:ASP439 4.5 42.5 1.0 MG A:MG1602 4.5 30.0 1.0 CA A:GLY990 4.5 35.9 1.0 O A:ASP439 4.6 42.5 1.0 C A:GLY990 4.7 35.9 1.0 NZ A:LYS668 4.8 28.1 1.0 CA A:ASP991 5.0 42.4 1.0 C A:ASP667 5.0 25.8 1.0

L.Bai, Q.You, B.K.Jain, H.D.Duan, A.Kovach, T.R.Graham, H.Li. Transport Mechanism of P4 Atpase Phosphatidylcholine Flippases. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 33320091
DOI: 10.7554/ELIFE.62163