Fluorine in PDB 8ijx: Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18
Other elements in 8ijx:
The structure of Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18
(pdb code 8ijx). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the
Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18, PDB code: 8ijx:
Jump to Fluorine binding site number:
1;
2;
3;
Fluorine binding site 1 out
of 3 in 8ijx
Go back to
Fluorine Binding Sites List in 8ijx
Fluorine binding site 1 out
of 3 in the Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18
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 the Gastric Proton Pump with Bound Dq-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F385
b:41.5
occ:1.00
|
F1
|
A:BFD385
|
0.0
|
41.5
|
1.0
|
BE
|
A:BFD385
|
1.8
|
20.3
|
1.0
|
MG
|
A:MG1102
|
2.2
|
30.7
|
1.0
|
F3
|
A:BFD385
|
2.6
|
33.2
|
1.0
|
O
|
A:HOH1225
|
3.0
|
28.2
|
1.0
|
OD1
|
A:BFD385
|
3.0
|
31.1
|
1.0
|
F2
|
A:BFD385
|
3.0
|
35.4
|
1.0
|
O
|
A:HOH1203
|
3.2
|
29.2
|
1.0
|
O
|
A:THR387
|
3.4
|
28.1
|
1.0
|
CA
|
A:GLY229
|
3.4
|
34.6
|
1.0
|
OD2
|
A:BFD385
|
3.4
|
32.4
|
1.0
|
CB
|
A:THR387
|
3.5
|
24.6
|
1.0
|
ND2
|
A:ASN729
|
3.5
|
25.3
|
1.0
|
O
|
A:THR228
|
3.5
|
42.4
|
1.0
|
O
|
A:SER225
|
3.6
|
36.0
|
1.0
|
CG
|
A:BFD385
|
3.7
|
11.8
|
1.0
|
N
|
A:THR387
|
4.1
|
20.5
|
1.0
|
OD1
|
A:ASN729
|
4.1
|
42.0
|
1.0
|
CA
|
A:THR387
|
4.1
|
14.5
|
1.0
|
C
|
A:THR387
|
4.1
|
20.4
|
1.0
|
C
|
A:GLY229
|
4.2
|
32.9
|
1.0
|
CG
|
A:ASN729
|
4.2
|
30.7
|
1.0
|
O
|
A:GLY229
|
4.2
|
38.9
|
1.0
|
OG1
|
A:THR387
|
4.2
|
36.7
|
1.0
|
N
|
A:GLY229
|
4.2
|
25.7
|
1.0
|
CG2
|
A:THR387
|
4.3
|
19.1
|
1.0
|
C
|
A:THR228
|
4.3
|
39.1
|
1.0
|
OD1
|
A:ASP726
|
4.5
|
33.6
|
1.0
|
NZ
|
A:LYS707
|
4.7
|
24.6
|
1.0
|
C
|
A:SER225
|
4.8
|
28.1
|
1.0
|
OG1
|
A:THR626
|
5.0
|
32.0
|
1.0
|
|
Fluorine binding site 2 out
of 3 in 8ijx
Go back to
Fluorine Binding Sites List in 8ijx
Fluorine binding site 2 out
of 3 in the Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18
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 the Gastric Proton Pump with Bound Dq-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F385
b:35.4
occ:1.00
|
F2
|
A:BFD385
|
0.0
|
35.4
|
1.0
|
BE
|
A:BFD385
|
1.8
|
20.3
|
1.0
|
OG1
|
A:THR626
|
2.3
|
32.0
|
1.0
|
F3
|
A:BFD385
|
2.6
|
33.2
|
1.0
|
N
|
A:THR387
|
2.7
|
20.5
|
1.0
|
OD1
|
A:BFD385
|
3.0
|
31.1
|
1.0
|
F1
|
A:BFD385
|
3.0
|
41.5
|
1.0
|
CB
|
A:THR626
|
3.2
|
28.7
|
1.0
|
OG1
|
A:THR387
|
3.2
|
36.7
|
1.0
|
CB
|
A:THR387
|
3.3
|
24.6
|
1.0
|
N
|
A:LYS386
|
3.3
|
19.9
|
1.0
|
CB
|
A:LYS386
|
3.4
|
15.2
|
1.0
|
CA
|
A:THR387
|
3.6
|
14.5
|
1.0
|
C
|
A:LYS386
|
3.6
|
10.4
|
1.0
|
CA
|
A:LYS386
|
3.6
|
22.6
|
1.0
|
CA
|
A:THR626
|
3.7
|
19.4
|
1.0
|
O
|
A:GLY229
|
3.8
|
38.9
|
1.0
|
CG
|
A:BFD385
|
3.8
|
11.8
|
1.0
|
CA
|
A:GLY229
|
3.9
|
34.6
|
1.0
|
OD2
|
A:BFD385
|
4.0
|
32.4
|
1.0
|
N
|
A:GLY627
|
4.0
|
25.0
|
1.0
|
C
|
A:GLY229
|
4.3
|
32.9
|
1.0
|
MG
|
A:MG1102
|
4.3
|
30.7
|
1.0
|
CE
|
A:LYS386
|
4.3
|
31.0
|
1.0
|
C
|
A:THR626
|
4.4
|
20.5
|
1.0
|
O
|
A:THR387
|
4.4
|
28.1
|
1.0
|
C
|
A:BFD385
|
4.5
|
17.9
|
1.0
|
C
|
A:THR387
|
4.5
|
20.4
|
1.0
|
CG
|
A:LYS386
|
4.5
|
24.9
|
1.0
|
CG2
|
A:THR626
|
4.5
|
16.1
|
1.0
|
N
|
A:ASP628
|
4.5
|
30.7
|
1.0
|
NZ
|
A:LYS386
|
4.6
|
33.1
|
1.0
|
CB
|
A:ASP628
|
4.7
|
21.0
|
1.0
|
O
|
A:LYS386
|
4.7
|
27.9
|
1.0
|
CG2
|
A:THR387
|
4.8
|
19.1
|
1.0
|
O
|
A:VAL625
|
4.8
|
37.2
|
1.0
|
CA
|
A:BFD385
|
4.9
|
19.3
|
1.0
|
NZ
|
A:LYS707
|
5.0
|
24.6
|
1.0
|
N
|
A:THR626
|
5.0
|
13.1
|
1.0
|
CD
|
A:LYS386
|
5.0
|
24.9
|
1.0
|
CB
|
A:BFD385
|
5.0
|
12.0
|
1.0
|
|
Fluorine binding site 3 out
of 3 in 8ijx
Go back to
Fluorine Binding Sites List in 8ijx
Fluorine binding site 3 out
of 3 in the Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18
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 the Gastric Proton Pump with Bound Dq-18 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F385
b:33.2
occ:1.00
|
F3
|
A:BFD385
|
0.0
|
33.2
|
1.0
|
BE
|
A:BFD385
|
1.8
|
20.3
|
1.0
|
OD1
|
A:BFD385
|
2.6
|
31.1
|
1.0
|
F2
|
A:BFD385
|
2.6
|
35.4
|
1.0
|
F1
|
A:BFD385
|
2.6
|
41.5
|
1.0
|
N
|
A:GLY627
|
2.7
|
25.0
|
1.0
|
ND2
|
A:ASN729
|
3.0
|
25.3
|
1.0
|
NZ
|
A:LYS707
|
3.0
|
24.6
|
1.0
|
CA
|
A:GLY229
|
3.2
|
34.6
|
1.0
|
CA
|
A:THR626
|
3.5
|
19.4
|
1.0
|
OG1
|
A:THR626
|
3.5
|
32.0
|
1.0
|
C
|
A:THR626
|
3.6
|
20.5
|
1.0
|
CA
|
A:GLY627
|
3.7
|
13.4
|
1.0
|
N
|
A:GLY229
|
3.8
|
25.7
|
1.0
|
CE
|
A:LYS707
|
3.9
|
30.6
|
1.0
|
CG
|
A:BFD385
|
4.0
|
11.8
|
1.0
|
CB
|
A:THR626
|
4.0
|
28.7
|
1.0
|
CG
|
A:ASN729
|
4.2
|
30.7
|
1.0
|
O
|
A:THR228
|
4.4
|
42.4
|
1.0
|
C
|
A:GLY229
|
4.4
|
32.9
|
1.0
|
C
|
A:THR228
|
4.4
|
39.1
|
1.0
|
MG
|
A:MG1102
|
4.5
|
30.7
|
1.0
|
OD2
|
A:BFD385
|
4.5
|
32.4
|
1.0
|
O
|
A:VAL625
|
4.5
|
37.2
|
1.0
|
N
|
A:ASP628
|
4.5
|
30.7
|
1.0
|
C
|
A:GLY627
|
4.5
|
24.8
|
1.0
|
O
|
A:HOH1203
|
4.5
|
29.2
|
1.0
|
O
|
A:HOH1249
|
4.6
|
34.5
|
1.0
|
O
|
A:GLY229
|
4.6
|
38.9
|
1.0
|
OD1
|
A:ASN729
|
4.7
|
42.0
|
1.0
|
N
|
A:THR626
|
4.7
|
13.1
|
1.0
|
O
|
A:THR626
|
4.7
|
26.5
|
1.0
|
N
|
A:LYS386
|
5.0
|
19.9
|
1.0
|
N
|
A:THR387
|
5.0
|
20.5
|
1.0
|
|
Reference:
K.Abe,
S.Yokoshima,
A.Yoshimori.
Deep Learning Driven De Novo Drug Design Based on Gastric Proton Pump Structures To Be Published.
Page generated: Fri Aug 2 20:43:52 2024
|