Fluorine in PDB 7oh5: Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State

All present enzymatic activity of Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State:
7.6.2.1;

The structure of Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State (pdb code 7oh5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State, PDB code: 7oh5:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State


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 DRS2P-CDC50P in the E1-Alfx-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:68.8 occ:1.00 F1 A:ALF1502 0.0 68.8 1.0 OD1 A:ASP560 1.7 63.0 1.0 AL A:ALF1502 1.8 68.8 1.0 F4 A:ALF1502 2.5 68.8 1.0 F3 A:ALF1502 2.5 68.8 1.0 N A:THR562 2.6 65.7 1.0 CG A:ASP560 2.6 63.0 1.0 N A:LYS561 2.6 64.8 1.0 O1B A:ADP1504 2.8 74.1 1.0 OD2 A:ASP560 3.2 63.0 1.0 CA A:LYS561 3.2 64.8 1.0 C A:LYS561 3.3 64.8 1.0 O2B A:ADP1504 3.4 74.1 1.0 CB A:LYS561 3.5 64.8 1.0 F2 A:ALF1502 3.6 68.8 1.0 CA A:THR562 3.6 65.7 1.0 C A:ASP560 3.6 63.0 1.0 CB A:THR562 3.7 65.7 1.0 PB A:ADP1504 3.7 74.1 1.0 MG A:MG1503 3.8 66.1 1.0 CB A:ASP560 3.8 63.0 1.0 OG1 A:THR562 3.9 65.7 1.0 O A:THR562 3.9 65.7 1.0 CA A:ASP560 4.0 63.0 1.0 CG2 A:THR835 4.0 66.1 1.0 C A:THR562 4.2 65.7 1.0 O A:LYS561 4.4 64.8 1.0 OG1 A:THR835 4.4 66.1 1.0 CA A:THR835 4.4 66.1 1.0 O3B A:ADP1504 4.5 74.1 1.0 CB A:THR835 4.5 66.1 1.0 O A:ASP560 4.6 63.0 1.0 O A:HOH1601 4.6 65.3 1.0 O A:LEU834 4.7 59.0 1.0 CG A:LYS561 4.8 64.8 1.0 N A:GLY836 5.0 69.4 1.0 CE A:LYS561 5.0 64.8 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State


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 DRS2P-CDC50P in the E1-Alfx-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:68.8 occ:1.00 F2 A:ALF1502 0.0 68.8 1.0 AL A:ALF1502 1.8 68.8 1.0 O1B A:ADP1504 2.1 74.1 1.0 OD1 A:ASN957 2.4 68.1 1.0 F4 A:ALF1502 2.5 68.8 1.0 F3 A:ALF1502 2.5 68.8 1.0 O A:HOH1601 2.9 65.3 1.0 NZ A:LYS934 3.0 60.4 1.0 CG A:ASN957 3.0 68.1 1.0 OD1 A:ASP560 3.1 63.0 1.0 ND2 A:ASN957 3.2 68.1 1.0 PB A:ADP1504 3.4 74.1 1.0 F1 A:ALF1502 3.6 68.8 1.0 MG A:MG1503 3.7 66.1 1.0 O3B A:ADP1504 3.9 74.1 1.0 CG A:ASP560 3.9 63.0 1.0 O1A A:ADP1504 4.0 74.1 1.0 OD2 A:ASP958 4.0 64.1 1.0 O3A A:ADP1504 4.1 74.1 1.0 O A:HOH1602 4.2 65.7 1.0 OD2 A:ASP560 4.2 63.0 1.0 CB A:ASN957 4.3 68.1 1.0 CE A:LYS934 4.4 60.4 1.0 O2B A:ADP1504 4.5 74.1 1.0 PA A:ADP1504 4.6 74.1 1.0 O A:ASP954 4.8 65.2 1.0 CB A:ASP560 5.0 63.0 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State


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 DRS2P-CDC50P in the E1-Alfx-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:68.8 occ:1.00 F3 A:ALF1502 0.0 68.8 1.0 AL A:ALF1502 1.8 68.8 1.0 O1B A:ADP1504 2.4 74.1 1.0 OD1 A:ASP560 2.5 63.0 1.0 F1 A:ALF1502 2.5 68.8 1.0 F2 A:ALF1502 2.5 68.8 1.0 NZ A:LYS934 3.0 60.4 1.0 N A:GLY836 3.1 69.4 1.0 O A:LEU834 3.2 59.0 1.0 CA A:THR835 3.2 66.1 1.0 F4 A:ALF1502 3.6 68.8 1.0 PB A:ADP1504 3.6 74.1 1.0 C A:THR835 3.6 66.1 1.0 CG A:ASP560 3.7 63.0 1.0 CE A:LYS934 3.8 60.4 1.0 CG2 A:THR835 4.0 66.1 1.0 O2B A:ADP1504 4.0 74.1 1.0 C A:LEU834 4.0 59.0 1.0 N A:THR835 4.1 66.1 1.0 CB A:THR835 4.1 66.1 1.0 O3A A:ADP1504 4.2 74.1 1.0 CA A:GLY836 4.2 69.4 1.0 OD1 A:ASN957 4.4 68.1 1.0 CB A:ASP560 4.4 63.0 1.0 N A:LYS561 4.5 64.8 1.0 OG1 A:THR835 4.6 66.1 1.0 OD2 A:ASP560 4.6 63.0 1.0 O A:HOH1601 4.7 65.3 1.0 O3B A:ADP1504 4.8 74.1 1.0 O A:THR835 4.8 66.1 1.0 CA A:ASP560 4.8 63.0 1.0 O1A A:ADP1504 4.9 74.1 1.0 MG A:MG1503 5.0 66.1 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of DRS2P-CDC50P in the E1-Alfx-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:68.8 occ:1.00 F4 A:ALF1502 0.0 68.8 1.0 MG A:MG1503 1.7 66.1 1.0 AL A:ALF1502 1.8 68.8 1.0 OD1 A:ASP560 2.5 63.0 1.0 F1 A:ALF1502 2.5 68.8 1.0 F2 A:ALF1502 2.5 68.8 1.0 O1B A:ADP1504 2.6 74.1 1.0 O A:THR562 2.6 65.7 1.0 OD2 A:ASP560 2.6 63.0 1.0 O A:HOH1601 2.7 65.3 1.0 O A:HOH1602 2.7 65.7 1.0 CG A:ASP560 2.9 63.0 1.0 CB A:THR562 3.3 65.7 1.0 C A:THR562 3.5 65.7 1.0 N A:THR562 3.5 65.7 1.0 PB A:ADP1504 3.5 74.1 1.0 O3B A:ADP1504 3.6 74.1 1.0 CA A:THR562 3.6 65.7 1.0 F3 A:ALF1502 3.6 68.8 1.0 OD1 A:ASP954 3.9 65.2 1.0 O2B A:ADP1504 4.0 74.1 1.0 CG2 A:THR562 4.1 65.7 1.0 OG1 A:THR562 4.2 65.7 1.0 CB A:ASP560 4.4 63.0 1.0 C A:LYS561 4.5 64.8 1.0 OD1 A:ASN957 4.5 68.1 1.0 O A:ASP954 4.5 65.2 1.0 N A:LYS561 4.6 64.8 1.0 ND2 A:ASN957 4.6 68.1 1.0 OD2 A:ASP958 4.7 64.1 1.0 N A:GLY563 4.7 64.1 1.0 CG A:ASP954 4.9 65.2 1.0 CG A:ASN957 5.0 68.1 1.0

M.Timcenko, T.Dieudonne, C.Montigny, T.Boesen, J.A.Lyons, G.Lenoir, P.Nissen. Structural Basis of Substrate-Independent Phosphorylation in A P4-Atpase Lipid Flippase J.Mol.Biol. 67062 2021.
ISSN: ESSN 1089-8638
PubMed: 34023399
DOI: 10.1016/J.JMB.2021.167062