Fluorine in PDB 7si6: Structure of ATP7B in State 1

All present enzymatic activity of Structure of ATP7B in State 1:
7.2.2.8;

The structure of Structure of ATP7B in State 1 also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Structure of ATP7B in State 1 (pdb code 7si6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of ATP7B in State 1, PDB code: 7si6:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of ATP7B in State 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of ATP7B in State 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.6 occ:1.00 F1 A:ALF1502 0.0 48.6 1.0 AL A:ALF1502 1.8 48.6 1.0 HZ1 A:LYS1254 1.9 45.8 1.0 HD21 A:ASN1276 2.3 50.8 1.0 HZ2 A:LYS1254 2.5 45.8 1.0 NZ A:LYS1254 2.5 45.8 1.0 F3 A:ALF1502 2.5 48.6 1.0 F4 A:ALF1502 2.5 48.6 1.0 H A:GLY1227 2.9 55.8 1.0 HA A:THR1226 2.9 58.7 1.0 ND2 A:ASN1276 2.9 50.8 1.0 HD22 A:ASN1276 3.0 50.8 1.0 HE3 A:LYS1254 3.0 45.8 1.0 OD1 A:ASP1024 3.1 53.1 1.0 HZ3 A:LYS1254 3.2 45.8 1.0 CE A:LYS1254 3.3 45.8 1.0 HG1 A:THR1226 3.5 58.7 1.0 N A:GLY1227 3.5 55.8 1.0 F2 A:ALF1502 3.6 48.6 1.0 CG A:ASP1024 3.6 53.1 1.0 HE2 A:LYS1254 3.7 45.8 1.0 OD2 A:ASP1024 3.7 53.1 1.0 OD1 A:ASP1277 3.7 50.8 1.0 CA A:THR1226 3.8 58.7 1.0 CG A:ASN1276 4.1 50.8 1.0 C A:THR1226 4.1 58.7 1.0 OG1 A:THR1226 4.2 58.7 1.0 HA3 A:GLY856 4.2 63.3 1.0 HA3 A:GLY1227 4.2 55.8 1.0 O A:ILE1225 4.4 56.1 1.0 O A:THR855 4.4 61.1 1.0 OD2 A:ASP1277 4.4 50.8 1.0 CG A:ASP1277 4.5 50.8 1.0 CA A:GLY1227 4.5 55.8 1.0 CB A:THR1226 4.5 58.7 1.0 OD1 A:ASN1276 4.5 50.8 1.0 H A:LYS1025 4.6 53.2 1.0 CD A:LYS1254 4.6 45.8 1.0 HD2 A:LYS1254 4.6 45.8 1.0 HB A:THR1226 4.7 58.7 1.0 HA A:ASP1024 4.7 53.1 1.0 N A:THR1226 4.8 58.7 1.0 HB2 A:ASP1024 4.8 53.1 1.0 CB A:ASP1024 4.8 53.1 1.0 C A:ILE1225 5.0 56.1 1.0 HD3 A:LYS1254 5.0 45.8 1.0 HB2 A:ASN1276 5.0 50.8 1.0

Fluorine binding site 2 out of 4 in the Structure of ATP7B in State 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of ATP7B in State 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.6 occ:1.00 F2 A:ALF1502 0.0 48.6 1.0 AL A:ALF1502 1.8 48.6 1.0 MG A:MG1501 2.0 50.8 1.0 OG1 A:THR1026 2.1 59.3 1.0 OD2 A:ASP1024 2.4 53.1 1.0 F3 A:ALF1502 2.5 48.6 1.0 F4 A:ALF1502 2.5 48.6 1.0 CG A:ASP1024 3.0 53.1 1.0 OD1 A:ASP1024 3.0 53.1 1.0 H A:THR1026 3.4 59.3 1.0 O A:THR1026 3.4 59.3 1.0 CB A:THR1026 3.5 59.3 1.0 F1 A:ALF1502 3.6 48.6 1.0 HA3 A:GLY856 3.9 63.3 1.0 O A:GLY856 3.9 63.3 1.0 HD21 A:ASN1276 3.9 50.8 1.0 N A:THR1026 4.0 59.3 1.0 HB A:THR1026 4.0 59.3 1.0 CA A:THR1026 4.0 59.3 1.0 HG23 A:THR1026 4.1 59.3 1.0 C A:THR1026 4.1 59.3 1.0 OD1 A:ASP1273 4.2 43.7 1.0 CG2 A:THR1026 4.3 59.3 1.0 OD2 A:ASP1277 4.4 50.8 1.0 HG1 A:THR1226 4.4 58.7 1.0 C A:GLY856 4.4 63.3 1.0 CB A:ASP1024 4.5 53.1 1.0 HG21 A:THR1026 4.5 59.3 1.0 H A:LYS1025 4.5 53.2 1.0 CA A:GLY856 4.6 63.3 1.0 HB3 A:ASP1024 4.7 53.1 1.0 ND2 A:ASN1276 4.8 50.8 1.0 HA2 A:GLY856 4.8 63.3 1.0 HA3 A:GLY1274 4.8 41.3 1.0 HZ1 A:LYS1254 4.9 45.8 1.0 HB2 A:ASP1024 4.9 53.1 1.0 OD1 A:ASN1276 5.0 50.8 1.0 N A:LYS1025 5.0 53.2 1.0 HA A:THR1026 5.0 59.3 1.0

Fluorine binding site 3 out of 4 in the Structure of ATP7B in State 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of ATP7B in State 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.6 occ:1.00 F3 A:ALF1502 0.0 48.6 1.0 AL A:ALF1502 1.8 48.6 1.0 HD21 A:ASN1276 2.3 50.8 1.0 OD2 A:ASP1024 2.3 53.1 1.0 F2 A:ALF1502 2.5 48.6 1.0 F1 A:ALF1502 2.5 48.6 1.0 OD2 A:ASP1277 2.5 50.8 1.0 ND2 A:ASN1276 2.9 50.8 1.0 OD1 A:ASP1277 3.0 50.8 1.0 HZ2 A:LYS1254 3.0 45.8 1.0 CG A:ASP1277 3.0 50.8 1.0 OD1 A:ASN1276 3.1 50.8 1.0 CG A:ASP1024 3.1 53.1 1.0 MG A:MG1501 3.3 50.8 1.0 CG A:ASN1276 3.3 50.8 1.0 OD1 A:ASP1024 3.4 53.1 1.0 HZ1 A:LYS1254 3.5 45.8 1.0 F4 A:ALF1502 3.6 48.6 1.0 HD22 A:ASN1276 3.6 50.8 1.0 NZ A:LYS1254 3.7 45.8 1.0 HA3 A:GLY1274 3.8 41.3 1.0 HA3 A:GLY856 3.9 63.3 1.0 HZ3 A:LYS1254 4.1 45.8 1.0 HB2 A:ASP1024 4.2 53.1 1.0 H A:ASP1277 4.2 50.8 1.0 CB A:ASP1024 4.3 53.1 1.0 H A:GLY1274 4.4 41.3 1.0 CB A:ASP1277 4.4 50.8 1.0 H A:ASP1273 4.5 43.7 1.0 HB2 A:ASP1277 4.5 50.8 1.0 CA A:GLY1274 4.6 41.3 1.0 N A:ASP1277 4.6 50.8 1.0 OG1 A:THR1026 4.6 59.3 1.0 N A:GLY1274 4.6 41.3 1.0 HE3 A:LYS1254 4.6 45.8 1.0 HA2 A:GLY856 4.7 63.3 1.0 CA A:GLY856 4.7 63.3 1.0 HB3 A:ASP1024 4.7 53.1 1.0 CB A:ASN1276 4.8 50.8 1.0 OD1 A:ASP1273 4.8 43.7 1.0 CE A:LYS1254 4.8 45.8 1.0 HB2 A:ASN1276 5.0 50.8 1.0 H A:ASN1276 5.0 50.8 1.0

Fluorine binding site 4 out of 4 in the Structure of ATP7B in State 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of ATP7B in State 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1502 b:48.6 occ:1.00 F4 A:ALF1502 0.0 48.6 1.0 AL A:ALF1502 1.8 48.6 1.0 HG1 A:THR1226 2.0 58.7 1.0 F2 A:ALF1502 2.5 48.6 1.0 F1 A:ALF1502 2.5 48.6 1.0 OD1 A:ASP1024 2.6 53.1 1.0 OG1 A:THR1226 2.8 58.7 1.0 H A:GLY1227 2.9 55.8 1.0 H A:THR1026 3.1 59.3 1.0 OG1 A:THR1026 3.2 59.3 1.0 HG23 A:THR1026 3.3 59.3 1.0 HA A:THR1226 3.4 58.7 1.0 CG A:ASP1024 3.6 53.1 1.0 H A:LYS1025 3.6 53.2 1.0 F3 A:ALF1502 3.6 48.6 1.0 OD2 A:ASP1024 3.7 53.1 1.0 N A:GLY1227 3.7 55.8 1.0 HB3 A:LYS1025 3.8 53.2 1.0 CB A:THR1226 3.8 58.7 1.0 OE2 A:GLU857 3.9 70.6 1.0 HZ1 A:LYS1254 3.9 45.8 1.0 N A:THR1026 3.9 59.3 1.0 HB A:THR1226 3.9 58.7 1.0 HD21 A:ASN1276 4.0 50.8 1.0 CA A:THR1226 4.0 58.7 1.0 CG2 A:THR1026 4.1 59.3 1.0 CB A:THR1026 4.1 59.3 1.0 HA3 A:GLY856 4.2 63.3 1.0 H A:ASP1228 4.3 66.2 1.0 N A:LYS1025 4.3 53.2 1.0 HG21 A:THR1026 4.3 59.3 1.0 C A:THR1226 4.4 58.7 1.0 MG A:MG1501 4.5 50.8 1.0 O A:THR855 4.5 61.1 1.0 HE3 A:LYS1025 4.5 53.2 1.0 HB2 A:ASP1228 4.5 66.2 1.0 HG3 A:GLU857 4.5 70.6 1.0 CB A:LYS1025 4.6 53.2 1.0 CD A:GLU857 4.6 70.6 1.0 HA3 A:GLY1227 4.6 55.8 1.0 CA A:THR1026 4.6 59.3 1.0 CA A:GLY1227 4.7 55.8 1.0 NZ A:LYS1254 4.7 45.8 1.0 ND2 A:ASN1276 4.8 50.8 1.0 HZ2 A:LYS1254 4.8 45.8 1.0 N A:ASP1228 4.8 66.2 1.0 CA A:LYS1025 4.8 53.2 1.0 HB2 A:LYS1025 4.8 53.2 1.0 HG22 A:THR1026 4.9 59.3 1.0 C A:LYS1025 4.9 53.2 1.0 HA A:ASP1024 4.9 53.1 1.0 CB A:ASP1024 5.0 53.1 1.0 HB A:THR1026 5.0 59.3 1.0 HD22 A:ASN1276 5.0 50.8 1.0

R.M.Bitter, S.Oh, Z.Deng, S.Rahman, R.K.Hite, P.Yuan. Structure of the Wilson Disease Copper Transporter ATP7B. Sci Adv V. 8 L5508 2022.
ISSN: ESSN 2375-2548
PubMed: 35245129
DOI: 10.1126/SCIADV.ABL5508