Fluorine in PDB 7kya: Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-LEM3 Complex in the E2P State

All present enzymatic activity of Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-LEM3 Complex in the E2P State:
7.6.2.1;

The structure of Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-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 DNF2-LEM3 Complex in the E2P State (pdb code 7kya). 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 DNF2-LEM3 Complex in the E2P State, PDB code: 7kya:
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 DNF2-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 DNF2-LEM3 Complex in the E2P State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1703 b:20.0 occ:1.00 F1 A:BEF1703 0.0 20.0 1.0 BE A:BEF1703 1.8 20.0 1.0 MG A:MG1702 2.4 30.0 1.0 CG2 A:THR714 3.0 30.0 1.0 OD1 A:ASN1176 3.0 44.3 1.0 F3 A:BEF1703 3.1 20.0 1.0 F2 A:BEF1703 3.1 20.0 1.0 O A:ASP484 3.3 56.6 1.0 OG1 A:THR714 3.3 30.0 1.0 O A:LYS481 3.4 55.3 1.0 OD2 A:ASP712 3.5 39.0 1.0 C A:ASP484 3.5 56.6 1.0 CB A:THR714 3.7 30.0 1.0 CA A:GLY485 3.7 57.2 1.0 N A:GLY485 3.7 57.2 1.0 CG A:ASN1176 4.0 44.3 1.0 OD1 A:ASP712 4.1 39.0 1.0 CG A:ASP712 4.2 39.0 1.0 ND2 A:ASN1176 4.3 44.3 1.0 O A:ASP1173 4.3 41.2 1.0 CA A:ASP484 4.4 56.6 1.0 C A:LYS481 4.4 55.3 1.0 N A:ASP484 4.6 56.6 1.0 O A:ASN482 4.7 52.6 1.0 C A:GLY485 4.8 57.2 1.0 C A:ASN482 5.0 52.6 1.0

Fluorine binding site 2 out of 3 in the Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-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 DNF2-LEM3 Complex in the E2P State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1703 b:20.0 occ:1.00 F2 A:BEF1703 0.0 20.0 1.0 BE A:BEF1703 1.8 20.0 1.0 OD1 A:ASP712 2.3 39.0 1.0 F3 A:BEF1703 3.1 20.0 1.0 F1 A:BEF1703 3.1 20.0 1.0 CG2 A:THR714 3.1 30.0 1.0 CG A:ASP712 3.2 39.0 1.0 N A:GLY1033 3.3 45.7 1.0 O A:LYS713 3.4 42.0 1.0 N A:LYS713 3.5 42.0 1.0 OD2 A:ASP712 3.5 39.0 1.0 CA A:GLY1033 3.6 45.7 1.0 C A:LYS713 3.7 42.0 1.0 CA A:GLY485 3.9 57.2 1.0 C A:THR1032 3.9 37.8 1.0 CA A:LYS713 4.0 42.0 1.0 OG1 A:THR714 4.2 30.0 1.0 CB A:THR714 4.2 30.0 1.0 MG A:MG1702 4.3 30.0 1.0 CA A:THR1032 4.3 37.8 1.0 CB A:LYS713 4.3 42.0 1.0 N A:THR714 4.4 46.5 1.0 N A:GLY485 4.5 57.2 1.0 CB A:ASP712 4.5 39.0 1.0 O A:LEU1031 4.5 31.9 1.0 C A:ASP712 4.5 39.0 1.0 O A:THR1032 4.6 37.8 1.0 CA A:ASP712 4.7 39.0 1.0 CG2 A:THR1032 4.8 37.8 1.0 C A:GLY1033 4.9 45.7 1.0 NZ A:LYS1153 4.9 38.0 1.0 CA A:THR714 4.9 46.5 1.0

Fluorine binding site 3 out of 3 in the Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-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 DNF2-LEM3 Complex in the E2P State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1703 b:20.0 occ:1.00 F3 A:BEF1703 0.0 20.0 1.0 BE A:BEF1703 1.8 20.0 1.0 ND2 A:ASN1176 2.5 44.3 1.0 OD1 A:ASP712 2.7 39.0 1.0 NZ A:LYS1153 2.7 38.0 1.0 OD2 A:ASP712 3.0 39.0 1.0 F2 A:BEF1703 3.1 20.0 1.0 F1 A:BEF1703 3.1 20.0 1.0 OD1 A:ASN1176 3.1 44.3 1.0 CG A:ASP712 3.1 39.0 1.0 CG A:ASN1176 3.2 44.3 1.0 OD2 A:ASP1177 3.8 39.9 1.0 CE A:LYS1153 4.1 38.0 1.0 O A:LEU1031 4.4 31.9 1.0 MG A:MG1702 4.5 30.0 1.0 CB A:ASP712 4.5 39.0 1.0 CB A:ASP1177 4.6 39.9 1.0 CB A:ASN1176 4.6 44.3 1.0 CG A:ASP1177 4.6 39.9 1.0 N A:ASP1177 4.8 39.9 1.0 CD A:LYS1153 4.8 38.0 1.0 CA A:GLY1033 4.9 45.7 1.0 CA A:ASP1177 4.9 39.9 1.0 O A:THR1032 5.0 37.8 1.0 N A:GLY1033 5.0 45.7 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