Fluorine in PDB 8q76: Copper-Transporting Atpase HMA4 in E2P State with Bef

Other elements in 8q76:

The structure of Copper-Transporting Atpase HMA4 in E2P State with Bef also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Copper-Transporting Atpase HMA4 in E2P State with Bef (pdb code 8q76). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Copper-Transporting Atpase HMA4 in E2P State with Bef, PDB code: 8q76:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8q76

Go back to Fluorine Binding Sites List in 8q76
Fluorine binding site 1 out of 3 in the Copper-Transporting Atpase HMA4 in E2P State with Bef


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Copper-Transporting Atpase HMA4 in E2P State with Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F641

b:20.0
occ:1.00
 F1 A:BFD641 0.0 20.0 1.0
BE A:BFD641 1.5 20.0 1.0
F2 A:BFD641 2.4 20.0 1.0
OD1 A:BFD641 2.4 20.0 1.0
F3 A:BFD641 2.5 20.0 1.0
NZ A:LYS829 2.7 169.8 1.0
CE A:LYS829 3.0 169.8 1.0
N A:GLY802 3.2 173.1 1.0
ND2 A:ASN851 3.3 169.4 1.0
C A:THR801 3.6 168.8 1.0
CG A:BFD641 3.6 20.0 1.0
CA A:THR801 3.6 168.6 1.0
O A:VAL800 3.9 152.8 1.0
CB A:ASN851 3.9 168.9 1.0
CA A:GLY802 4.0 173.4 1.0
CG A:ASN851 4.1 169.4 1.0
OD1 A:ASP852 4.1 162.4 1.0
OD2 A:BFD641 4.2 20.0 1.0
OG1 A:THR801 4.3 169.2 1.0
O A:THR801 4.5 169.0 1.0
CD A:LYS829 4.5 170.0 1.0
O A:THR480 4.5 188.4 1.0
N A:THR801 4.6 168.2 1.0
CB A:THR801 4.6 169.0 1.0
MG A:MG1001 4.6 138.5 1.0
C A:VAL800 4.6 152.6 1.0
CB A:BFD641 4.7 20.0 1.0
CG2 A:THR643 4.8 183.1 1.0
O A:ILE824 4.9 161.9 1.0

Fluorine binding site 2 out of 3 in 8q76

Go back to Fluorine Binding Sites List in 8q76
Fluorine binding site 2 out of 3 in the Copper-Transporting Atpase HMA4 in E2P State with Bef


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Copper-Transporting Atpase HMA4 in E2P State with Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F641

b:20.0
occ:1.00
 F2 A:BFD641 0.0 20.0 1.0
BE A:BFD641 1.5 20.0 1.0
MG A:MG1001 2.4 138.5 1.0
F1 A:BFD641 2.4 20.0 1.0
F3 A:BFD641 2.5 20.0 1.0
OD1 A:BFD641 2.6 20.0 1.0
CG2 A:THR643 2.7 183.1 1.0
OD2 A:BFD641 2.9 20.0 1.0
CG A:BFD641 3.0 20.0 1.0
ND2 A:ASN851 3.6 169.4 1.0
CB A:ASN851 3.8 168.9 1.0
CB A:THR643 4.1 183.4 1.0
CG A:ASN851 4.1 169.4 1.0
OD1 A:ASP848 4.2 158.0 1.0
CA A:GLY481 4.2 183.3 1.0
N A:THR643 4.3 182.5 1.0
OD2 A:ASP848 4.4 158.1 1.0
O A:THR480 4.4 188.4 1.0
OD1 A:ASP852 4.5 162.4 1.0
CB A:BFD641 4.5 20.0 1.0
N A:LYS642 4.6 158.2 1.0
C A:GLY481 4.6 183.5 1.0
NZ A:LYS829 4.7 169.8 1.0
CA A:THR643 4.7 182.9 1.0
OE2 A:GLU482 4.7 188.9 1.0
N A:GLY802 4.7 173.1 1.0
CG A:ASP848 4.7 157.9 1.0
O A:GLY481 4.7 183.6 1.0
OD2 A:ASP852 4.7 162.6 1.0
OG1 A:THR801 4.8 169.2 1.0
CG A:ASP852 4.9 162.4 1.0
CE A:LYS829 5.0 169.8 1.0
O A:THR643 5.0 183.2 1.0

Fluorine binding site 3 out of 3 in 8q76

Go back to Fluorine Binding Sites List in 8q76
Fluorine binding site 3 out of 3 in the Copper-Transporting Atpase HMA4 in E2P State with Bef


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Copper-Transporting Atpase HMA4 in E2P State with Bef within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F641

b:20.0
occ:1.00
 F3 A:BFD641 0.0 20.0 1.0
BE A:BFD641 1.5 20.0 1.0
OG1 A:THR801 2.4 169.2 1.0
OD1 A:BFD641 2.5 20.0 1.0
F2 A:BFD641 2.5 20.0 1.0
F1 A:BFD641 2.5 20.0 1.0
N A:GLY802 3.1 173.1 1.0
CA A:THR801 3.2 168.6 1.0
CB A:THR801 3.2 169.0 1.0
N A:LYS642 3.3 158.2 1.0
CG A:BFD641 3.4 20.0 1.0
CG2 A:THR643 3.5 183.1 1.0
N A:THR643 3.6 182.5 1.0
C A:THR801 3.7 168.8 1.0
MG A:MG1001 3.8 138.5 1.0
OD2 A:BFD641 3.8 20.0 1.0
CA A:LYS642 4.1 158.6 1.0
CB A:LYS642 4.1 158.5 1.0
C A:BFD641 4.1 20.0 1.0
OE2 A:GLU482 4.1 188.9 1.0
CB A:THR643 4.2 183.4 1.0
CA A:GLY802 4.3 173.4 1.0
C A:LYS642 4.4 159.2 1.0
NZ A:LYS829 4.4 169.8 1.0
O A:VAL800 4.4 152.8 1.0
N A:THR801 4.5 168.2 1.0
CA A:THR643 4.5 182.9 1.0
CA A:BFD641 4.5 20.0 1.0
CB A:BFD641 4.5 20.0 1.0
CG2 A:THR801 4.6 169.2 1.0
C A:GLY802 4.8 173.9 1.0
O A:THR801 4.9 169.0 1.0
N A:ASP803 4.9 190.9 1.0
ND2 A:ASN851 4.9 169.4 1.0
C A:VAL800 4.9 152.6 1.0
O A:THR480 4.9 188.4 1.0

Reference:

Z.Guo, F.Oradd, V.Bagenholm, C.Gronberg, J.F.Ma, P.Ott, Y.Wang, M.Andersson, P.A.Pedersen, K.Wang, P.Gourdon. Diverse Roles of the Metal Binding Domains and Transport Mechanism of Copper Transporting P-Type Atpases. Nat Commun V. 15 2690 2024.
ISSN: ESSN 2041-1723
PubMed: 38538615
DOI: 10.1038/S41467-024-47001-4
Page generated: Fri Aug 2 22:23:23 2024

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