Fluorine in PDB 8iwt: HSPCA1 in the Early E2P State
Enzymatic activity of HSPCA1 in the Early E2P State
All present enzymatic activity of HSPCA1 in the Early E2P State:
7.2.2.10;
Other elements in 8iwt:
The structure of HSPCA1 in the Early E2P State also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the HSPCA1 in the Early E2P State
(pdb code 8iwt). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the
HSPCA1 in the Early E2P State, PDB code: 8iwt:
Jump to Fluorine binding site number:
1;
2;
3;
Fluorine binding site 1 out
of 3 in 8iwt
Go back to
Fluorine Binding Sites List in 8iwt
Fluorine binding site 1 out
of 3 in the HSPCA1 in the Early E2P State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of HSPCA1 in the Early E2P State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:3.7
occ:1.00
|
F1
|
A:BEF1001
|
0.0
|
3.7
|
1.0
|
BE
|
A:BEF1001
|
1.5
|
3.7
|
1.0
|
OD2
|
A:ASP350
|
1.7
|
2.5
|
1.0
|
MG
|
A:MG1002
|
1.8
|
3.0
|
1.0
|
F3
|
A:BEF1001
|
2.5
|
3.7
|
1.0
|
F2
|
A:BEF1001
|
2.6
|
3.7
|
1.0
|
CG
|
A:ASP350
|
2.6
|
2.5
|
1.0
|
O
|
A:THR352
|
2.9
|
3.0
|
1.0
|
OD1
|
A:ASP350
|
2.9
|
2.5
|
1.0
|
OD2
|
A:ASP648
|
3.5
|
37.4
|
1.0
|
C
|
A:THR352
|
3.8
|
3.0
|
1.0
|
OD1
|
A:ASP644
|
3.8
|
31.9
|
1.0
|
CB
|
A:THR352
|
4.0
|
3.0
|
1.0
|
CB
|
A:ASP350
|
4.0
|
2.5
|
1.0
|
CA
|
A:GLY190
|
4.0
|
19.2
|
1.0
|
N
|
A:THR352
|
4.1
|
3.0
|
1.0
|
CA
|
A:THR352
|
4.1
|
3.0
|
1.0
|
O
|
A:SER186
|
4.3
|
32.9
|
1.0
|
CG
|
A:ASP648
|
4.5
|
35.9
|
1.0
|
OD1
|
A:ASP648
|
4.5
|
38.1
|
1.0
|
OG1
|
A:THR352
|
4.8
|
3.0
|
1.0
|
N
|
A:GLY353
|
4.8
|
18.0
|
1.0
|
N
|
A:GLY190
|
4.9
|
16.5
|
1.0
|
N
|
A:LYS351
|
4.9
|
2.2
|
1.0
|
CG
|
A:ASP644
|
4.9
|
33.5
|
1.0
|
CG2
|
A:THR352
|
5.0
|
3.0
|
1.0
|
C
|
A:LYS351
|
5.0
|
2.2
|
1.0
|
|
Fluorine binding site 2 out
of 3 in 8iwt
Go back to
Fluorine Binding Sites List in 8iwt
Fluorine binding site 2 out
of 3 in the HSPCA1 in the Early E2P State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of HSPCA1 in the Early E2P State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:3.7
occ:1.00
|
F2
|
A:BEF1001
|
0.0
|
3.7
|
1.0
|
BE
|
A:BEF1001
|
1.6
|
3.7
|
1.0
|
OD1
|
A:ASP350
|
2.2
|
2.5
|
1.0
|
F3
|
A:BEF1001
|
2.5
|
3.7
|
1.0
|
F1
|
A:BEF1001
|
2.6
|
3.7
|
1.0
|
OG1
|
A:THR570
|
2.8
|
32.9
|
1.0
|
CG
|
A:ASP350
|
2.9
|
2.5
|
1.0
|
N
|
A:THR352
|
3.0
|
3.0
|
1.0
|
OD2
|
A:ASP350
|
3.1
|
2.5
|
1.0
|
CB
|
A:THR570
|
3.4
|
25.5
|
1.0
|
CB
|
A:THR352
|
3.5
|
3.0
|
1.0
|
OG1
|
A:THR352
|
3.5
|
3.0
|
1.0
|
N
|
A:LYS351
|
3.6
|
2.2
|
1.0
|
CA
|
A:THR352
|
3.7
|
3.0
|
1.0
|
O
|
A:GLY190
|
3.9
|
27.1
|
1.0
|
CA
|
A:GLY190
|
3.9
|
19.2
|
1.0
|
CA
|
A:THR570
|
4.0
|
18.2
|
1.0
|
C
|
A:LYS351
|
4.0
|
2.2
|
1.0
|
O
|
A:THR352
|
4.0
|
3.0
|
1.0
|
MG
|
A:MG1002
|
4.1
|
3.0
|
1.0
|
CA
|
A:LYS351
|
4.2
|
2.2
|
1.0
|
CB
|
A:LYS351
|
4.3
|
2.2
|
1.0
|
C
|
A:THR352
|
4.3
|
3.0
|
1.0
|
CB
|
A:ASP350
|
4.3
|
2.5
|
1.0
|
N
|
A:GLY571
|
4.3
|
17.3
|
1.0
|
C
|
A:GLY190
|
4.4
|
22.4
|
1.0
|
C
|
A:ASP350
|
4.5
|
2.5
|
1.0
|
CA
|
A:ASP350
|
4.6
|
2.5
|
1.0
|
O
|
A:ILE569
|
4.7
|
42.4
|
1.0
|
C
|
A:THR570
|
4.7
|
24.1
|
1.0
|
CG2
|
A:THR570
|
4.8
|
19.4
|
1.0
|
CG2
|
A:THR352
|
4.9
|
3.0
|
1.0
|
NZ
|
A:LYS625
|
5.0
|
27.2
|
1.0
|
CE
|
A:LYS351
|
5.0
|
2.2
|
1.0
|
|
Fluorine binding site 3 out
of 3 in 8iwt
Go back to
Fluorine Binding Sites List in 8iwt
Fluorine binding site 3 out
of 3 in the HSPCA1 in the Early E2P State
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of HSPCA1 in the Early E2P State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:3.7
occ:1.00
|
F3
|
A:BEF1001
|
0.0
|
3.7
|
1.0
|
BE
|
A:BEF1001
|
1.5
|
3.7
|
1.0
|
OD1
|
A:ASP350
|
2.2
|
2.5
|
1.0
|
F2
|
A:BEF1001
|
2.5
|
3.7
|
1.0
|
F1
|
A:BEF1001
|
2.5
|
3.7
|
1.0
|
CG
|
A:ASP350
|
2.8
|
2.5
|
1.0
|
OD2
|
A:ASP350
|
2.9
|
2.5
|
1.0
|
NZ
|
A:LYS625
|
3.2
|
27.2
|
1.0
|
OD1
|
A:ASP648
|
3.6
|
38.1
|
1.0
|
ND2
|
A:ASN647
|
3.6
|
37.6
|
1.0
|
OD1
|
A:ASN647
|
3.9
|
17.8
|
1.0
|
OD2
|
A:ASP648
|
3.9
|
37.4
|
1.0
|
CG
|
A:ASN647
|
4.1
|
33.7
|
1.0
|
MG
|
A:MG1002
|
4.1
|
3.0
|
1.0
|
CA
|
A:THR570
|
4.1
|
18.2
|
1.0
|
CG
|
A:ASP648
|
4.1
|
35.9
|
1.0
|
N
|
A:GLY571
|
4.1
|
17.3
|
1.0
|
CA
|
A:GLY190
|
4.2
|
19.2
|
1.0
|
CB
|
A:ASP350
|
4.2
|
2.5
|
1.0
|
CE
|
A:LYS625
|
4.2
|
22.8
|
1.0
|
OG1
|
A:THR570
|
4.2
|
32.9
|
1.0
|
CB
|
A:THR570
|
4.5
|
25.5
|
1.0
|
O
|
A:ILE569
|
4.5
|
42.4
|
1.0
|
C
|
A:THR570
|
4.7
|
24.1
|
1.0
|
O
|
A:THR189
|
4.8
|
31.9
|
1.0
|
N
|
A:GLY190
|
4.8
|
16.5
|
1.0
|
CA
|
A:ASP350
|
4.9
|
2.5
|
1.0
|
|
Reference:
M.Wu,
C.Wu,
T.Song,
K.Pan,
Y.Wang,
Z.Liu.
Structure and Transport Mechanism of the Human Calcium Pump SPCA1. Cell Res. V. 33 533 2023.
ISSN: ISSN 1001-0602
PubMed: 37258749
DOI: 10.1038/S41422-023-00827-X
Page generated: Fri Aug 2 20:50:50 2024
|