Fluorine in PDB 8qmp: Structure of the E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8

All present enzymatic activity of Structure of the E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8:
7.2.2.10;

The structure of Structure of the E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Structure of the E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8 (pdb code 8qmp). 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 E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8, PDB code: 8qmp:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of the E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8


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 E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:34.2 occ:1.00 F1 A:BEF1102 0.0 34.2 1.0 BE A:BEF1102 1.5 39.4 1.0 HZ1 A:LYS766 1.8 32.5 1.0 OD1 A:ASP482 2.2 40.9 1.0 HD21 A:ASN788 2.3 42.2 1.0 HA A:THR706 2.5 27.3 1.0 F3 A:BEF1102 2.5 44.8 1.0 F2 A:BEF1102 2.5 47.5 1.0 H A:GLY707 2.6 29.6 1.0 NZ A:LYS766 2.6 30.7 1.0 HZ2 A:LYS766 2.8 32.7 1.0 ND2 A:ASN788 3.0 45.1 1.0 CG A:ASP482 3.0 32.5 1.0 HG1 A:THR706 3.0 29.3 1.0 HA3 A:GLY309 3.1 42.4 1.0 HD22 A:ASN788 3.1 41.8 1.0 HZ3 A:LYS766 3.1 32.5 1.0 OD2 A:ASP482 3.3 30.6 1.0 N A:GLY707 3.4 28.1 1.0 CA A:THR706 3.4 21.1 1.0 HE3 A:LYS766 3.6 33.2 1.0 CE A:LYS766 3.6 31.2 1.0 OG1 A:THR706 3.7 32.3 1.0 H A:LYS483 3.8 29.1 1.0 HE2 A:LYS766 3.8 33.0 1.0 O A:VAL705 3.9 39.7 1.0 HA2 A:GLY309 3.9 43.0 1.0 CA A:GLY309 3.9 41.7 1.0 C A:THR706 3.9 24.7 1.0 CB A:THR706 4.0 24.1 1.0 OD2 A:ASP789 4.1 42.9 1.0 HA A:ASP482 4.1 31.4 1.0 HB A:THR706 4.1 28.3 1.0 CG A:ASN788 4.1 44.4 1.0 CB A:ASP482 4.2 30.2 1.0 H A:THR484 4.3 36.5 1.0 HA3 A:GLY707 4.4 29.5 1.0 N A:THR706 4.4 23.2 1.0 HB2 A:ASP482 4.5 32.0 1.0 MG A:MG1101 4.5 43.0 1.0 CA A:GLY707 4.5 24.8 1.0 OD1 A:ASN788 4.5 42.6 1.0 C A:VAL705 4.6 29.7 1.0 O A:GLY309 4.6 39.4 1.0 N A:LYS483 4.6 19.6 1.0 CA A:ASP482 4.7 27.6 1.0 H A:ASP708 4.7 32.1 1.0 O A:THR308 4.7 48.9 1.0 C A:GLY309 4.8 40.2 1.0 N A:GLY309 4.8 45.4 1.0 CG A:ASP789 4.9 45.1 1.0 HB3 A:ASP482 5.0 32.6 1.0 CD A:LYS766 5.0 30.8 1.0

Fluorine binding site 2 out of 3 in the Structure of the E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8


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 E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:47.5 occ:1.00 F2 A:BEF1102 0.0 47.5 1.0 BE A:BEF1102 1.5 39.4 1.0 OD2 A:ASP482 2.0 30.6 1.0 MG A:MG1101 2.1 43.0 1.0 OD1 A:ASP482 2.5 40.9 1.0 F1 A:BEF1102 2.5 34.2 1.0 F3 A:BEF1102 2.5 44.8 1.0 CG A:ASP482 2.6 32.5 1.0 HA2 A:GLY309 2.8 43.0 1.0 HD21 A:ASN788 3.0 42.2 1.0 HA3 A:GLY309 3.1 42.4 1.0 HB A:THR484 3.1 36.2 1.0 H A:THR484 3.2 36.5 1.0 O A:THR484 3.3 33.1 1.0 CA A:GLY309 3.4 41.7 1.0 OD1 A:ASP785 3.9 47.8 1.0 ND2 A:ASN788 3.9 45.1 1.0 CB A:THR484 3.9 34.3 1.0 O A:SER305 3.9 41.8 1.0 N A:THR484 3.9 41.3 1.0 H A:LYS483 4.0 29.1 1.0 CB A:ASP482 4.0 30.2 1.0 HG1 A:THR706 4.1 29.3 1.0 HZ1 A:LYS766 4.1 32.5 1.0 OG1 A:THR484 4.1 33.1 1.0 C A:THR484 4.2 32.3 1.0 OD1 A:ASN788 4.2 42.6 1.0 CA A:THR484 4.2 36.4 1.0 OD2 A:ASP789 4.3 42.9 1.0 O A:GLY309 4.3 39.4 1.0 HG1 A:THR484 4.3 36.2 1.0 H A:GLY786 4.3 48.1 1.0 HB3 A:ASP482 4.3 32.6 1.0 C A:GLY309 4.3 40.2 1.0 N A:GLY309 4.4 45.4 1.0 HZ2 A:LYS766 4.4 32.7 1.0 HB2 A:ASP482 4.4 32.0 1.0 HD22 A:ASN788 4.5 41.8 1.0 HA3 A:GLY786 4.5 48.9 1.0 CG A:ASN788 4.5 44.4 1.0 H A:GLY309 4.6 44.6 1.0 N A:LYS483 4.6 19.6 1.0 H A:GLY707 4.6 29.6 1.0 NZ A:LYS766 4.7 30.7 1.0 HA A:THR706 4.8 27.3 1.0 CG A:ASP785 4.9 47.6 1.0 OG1 A:THR706 4.9 32.3 1.0 HA A:ASP482 4.9 31.4 1.0 CA A:ASP482 5.0 27.6 1.0

Fluorine binding site 3 out of 3 in the Structure of the E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8


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 E2 Beryllium Fluoride Complex of the Autoinhibited Calcium Atpase ACA8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:44.8 occ:1.00 F3 A:BEF1102 0.0 44.8 1.0 OD1 A:ASP482 1.4 40.9 1.0 BE A:BEF1102 1.5 39.4 1.0 H A:LYS483 1.7 29.1 1.0 H A:THR484 2.0 36.5 1.0 HG1 A:THR706 2.2 29.3 1.0 CG A:ASP482 2.4 32.5 1.0 N A:LYS483 2.5 19.6 1.0 F1 A:BEF1102 2.5 34.2 1.0 F2 A:BEF1102 2.5 47.5 1.0 N A:THR484 2.8 41.3 1.0 HB3 A:LYS483 2.8 28.6 1.0 OG1 A:THR706 3.0 32.3 1.0 OD2 A:ASP482 3.0 30.6 1.0 CA A:LYS483 3.2 19.6 1.0 HB A:THR706 3.2 28.3 1.0 HA A:THR706 3.3 27.3 1.0 HA A:ASP482 3.4 31.4 1.0 C A:LYS483 3.4 26.7 1.0 CB A:LYS483 3.4 26.8 1.0 C A:ASP482 3.4 29.5 1.0 CB A:ASP482 3.5 30.2 1.0 CB A:THR706 3.5 24.1 1.0 CA A:ASP482 3.6 27.6 1.0 OG1 A:THR484 3.7 33.1 1.0 HB2 A:LYS483 3.8 29.5 1.0 HB A:THR484 3.8 36.2 1.0 CA A:THR484 3.9 36.4 1.0 CA A:THR706 3.9 21.1 1.0 MG A:MG1101 3.9 43.0 1.0 HB3 A:ASP482 3.9 32.6 1.0 HZ1 A:LYS766 3.9 32.5 1.0 CB A:THR484 4.0 34.3 1.0 H A:GLY707 4.1 29.6 1.0 HG1 A:THR484 4.1 36.2 1.0 HA3 A:GLY309 4.1 42.4 1.0 HA A:LYS483 4.1 28.1 1.0 O A:THR484 4.1 33.1 1.0 HB2 A:ASP482 4.2 32.0 1.0 O A:GLY309 4.2 39.4 1.0 O A:VAL705 4.2 39.7 1.0 HA2 A:GLY309 4.3 43.0 1.0 HE3 A:LYS483 4.4 28.2 1.0 C A:THR484 4.4 32.3 1.0 HD21 A:ASN788 4.5 42.2 1.0 O A:ASP482 4.6 43.0 1.0 CA A:GLY309 4.6 41.7 1.0 O A:LYS483 4.6 29.1 1.0 NZ A:LYS766 4.7 30.7 1.0 HA A:THR484 4.7 35.9 1.0 N A:GLY707 4.7 28.1 1.0 HZ3 A:LYS766 4.7 32.5 1.0 CG A:LYS483 4.8 25.5 1.0 HZ2 A:LYS766 4.8 32.7 1.0 H A:ASP708 4.8 32.1 1.0 HG2 A:LYS483 4.9 28.0 1.0 C A:THR706 4.9 24.7 1.0 C A:GLY309 4.9 40.2 1.0 CG2 A:THR706 4.9 25.7 1.0 N A:THR706 4.9 23.2 1.0 C A:VAL705 5.0 29.7 1.0 HB2 A:ASP708 5.0 32.6 1.0

S.T.Larsen, J.K.Dannerso, C.J.F.Nielsen, L.R.Poulsen, M.Palmgren, P.Nissen. Conserved N-Terminal Regulation of the ACA8 Calcium Pump with Two Calmodulin Binding Sites. J.Mol.Biol. V. 436 68747 2024.
ISSN: ESSN 1089-8638
PubMed: 39168442
DOI: 10.1016/J.JMB.2024.168747