Fluorine in PDB 6zbv: Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
Protein crystallography data
The structure of Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7, PDB code: 6zbv
was solved by
A.Shahsavar,
P.Stohler,
G.Bourenkov,
I.Zimmermann,
M.Siegrist,
W.Guba,
E.Pinard,
S.Sinning,
M.A.Seeger,
T.R.Schneider,
R.J.P.Dawson,
P.Nissen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.67 /
3.40
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
65.17,
58.14,
122.31,
90,
100.38,
90
|
|
R / Rfree (%)
|
21.4 /
25.9
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
(pdb code 6zbv). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7, PDB code: 6zbv:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 6zbv
Go back to
Fluorine Binding Sites List in 6zbv
Fluorine binding site 1 out
of 6 in the Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F701
b:118.9
occ:1.00
|
F01
|
A:QET701
|
0.0
|
118.9
|
1.0
|
|
C07
|
A:QET701
|
1.4
|
118.7
|
1.0
|
|
F02
|
A:QET701
|
2.2
|
119.0
|
1.0
|
|
C06
|
A:QET701
|
2.4
|
118.3
|
1.0
|
|
C08
|
A:QET701
|
2.4
|
118.7
|
1.0
|
|
H08
|
A:QET701
|
2.5
|
142.0
|
1.0
|
|
HA3
|
A:GLY378
|
2.5
|
122.8
|
1.0
|
|
H16
|
A:QET701
|
2.7
|
142.0
|
1.0
|
|
F03
|
A:QET701
|
2.7
|
118.7
|
1.0
|
|
F05
|
A:QET701
|
2.8
|
118.7
|
1.0
|
|
H
|
A:LEU379
|
3.0
|
123.0
|
1.0
|
|
N
|
A:LEU379
|
3.1
|
102.5
|
1.0
|
|
C
|
A:GLY378
|
3.1
|
102.6
|
1.0
|
|
CA
|
A:GLY378
|
3.2
|
102.3
|
1.0
|
|
HG
|
A:LEU379
|
3.2
|
126.5
|
1.0
|
|
HD21
|
A:LEU379
|
3.2
|
127.6
|
1.0
|
|
O03
|
A:QET701
|
3.5
|
118.0
|
1.0
|
|
F04
|
A:QET701
|
3.6
|
118.5
|
1.0
|
|
HA
|
A:LEU379
|
3.6
|
123.6
|
1.0
|
|
H
|
A:GLY378
|
3.7
|
122.0
|
1.0
|
|
O
|
A:GLY378
|
3.8
|
102.7
|
1.0
|
|
N
|
A:GLY378
|
3.9
|
101.7
|
1.0
|
|
CA
|
A:LEU379
|
3.9
|
103.0
|
1.0
|
|
HA3
|
A:GLY373
|
3.9
|
123.5
|
1.0
|
|
HB2
|
A:TRP376
|
3.9
|
121.3
|
1.0
|
|
CD2
|
A:LEU379
|
4.0
|
106.3
|
1.0
|
|
CG
|
A:LEU379
|
4.0
|
105.4
|
1.0
|
|
HA2
|
A:GLY378
|
4.1
|
122.8
|
1.0
|
|
HD22
|
A:LEU379
|
4.2
|
127.6
|
1.0
|
|
H09
|
A:QET701
|
4.3
|
141.1
|
1.0
|
|
O
|
A:GLY373
|
4.3
|
103.2
|
1.0
|
|
CB
|
A:LEU379
|
4.5
|
103.5
|
1.0
|
|
HG3
|
A:MET382
|
4.5
|
124.8
|
1.0
|
|
CA
|
A:GLY373
|
4.7
|
102.9
|
1.0
|
|
C05
|
A:QET701
|
4.8
|
117.7
|
1.0
|
|
HA2
|
A:GLY373
|
4.8
|
123.5
|
1.0
|
|
HE3
|
A:TRP376
|
4.9
|
121.4
|
1.0
|
|
CB
|
A:TRP376
|
4.9
|
101.1
|
1.0
|
|
HB2
|
A:LEU379
|
4.9
|
124.2
|
1.0
|
|
HD23
|
A:LEU379
|
4.9
|
127.6
|
1.0
|
|
SD
|
A:MET382
|
5.0
|
110.0
|
1.0
|
|
HB3
|
A:CYS475
|
5.0
|
123.8
|
1.0
|
|
C
|
A:GLY373
|
5.0
|
103.2
|
1.0
|
|
H02
|
A:QET701
|
5.0
|
140.9
|
1.0
|
|
HB3
|
A:TRP376
|
5.0
|
121.3
|
1.0
|
|
C11
|
A:QET701
|
5.0
|
117.5
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 6zbv
Go back to
Fluorine Binding Sites List in 6zbv
Fluorine binding site 2 out
of 6 in the Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F701
b:119.0
occ:1.00
|
F02
|
A:QET701
|
0.0
|
119.0
|
1.0
|
|
C07
|
A:QET701
|
1.4
|
118.7
|
1.0
|
|
F01
|
A:QET701
|
2.2
|
118.9
|
1.0
|
|
C08
|
A:QET701
|
2.3
|
118.7
|
1.0
|
|
C06
|
A:QET701
|
2.4
|
118.3
|
1.0
|
|
H08
|
A:QET701
|
2.6
|
142.0
|
1.0
|
|
O03
|
A:QET701
|
2.6
|
118.0
|
1.0
|
|
F03
|
A:QET701
|
2.6
|
118.7
|
1.0
|
|
F04
|
A:QET701
|
2.8
|
118.5
|
1.0
|
|
H18
|
A:QET701
|
3.0
|
141.3
|
1.0
|
|
H09
|
A:QET701
|
3.1
|
141.1
|
1.0
|
|
H16
|
A:QET701
|
3.2
|
142.0
|
1.0
|
|
HB3
|
A:CYS475
|
3.4
|
123.8
|
1.0
|
|
N01
|
A:QET701
|
3.4
|
117.5
|
1.0
|
|
C11
|
A:QET701
|
3.5
|
117.5
|
1.0
|
|
C18
|
A:QET701
|
3.5
|
117.8
|
1.0
|
|
F05
|
A:QET701
|
3.5
|
118.7
|
1.0
|
|
C17
|
A:QET701
|
3.6
|
117.9
|
1.0
|
|
C12
|
A:QET701
|
3.7
|
117.7
|
1.0
|
|
HD21
|
A:LEU379
|
3.8
|
127.6
|
1.0
|
|
SD
|
A:MET382
|
3.9
|
110.0
|
1.0
|
|
HB2
|
A:CYS475
|
3.9
|
123.8
|
1.0
|
|
C05
|
A:QET701
|
4.0
|
117.7
|
1.0
|
|
C10
|
A:QET701
|
4.0
|
117.4
|
1.0
|
|
HA3
|
A:GLY378
|
4.1
|
122.8
|
1.0
|
|
CB
|
A:CYS475
|
4.1
|
103.1
|
1.0
|
|
H17
|
A:QET701
|
4.4
|
141.1
|
1.0
|
|
H10
|
A:QET701
|
4.4
|
141.3
|
1.0
|
|
HG3
|
A:MET382
|
4.5
|
124.8
|
1.0
|
|
O04
|
A:QET701
|
4.5
|
117.4
|
1.0
|
|
C16
|
A:QET701
|
4.5
|
118.2
|
1.0
|
|
C09
|
A:QET701
|
4.5
|
117.5
|
1.0
|
|
HA
|
A:LEU379
|
4.7
|
123.6
|
1.0
|
|
C
|
A:GLY378
|
4.7
|
102.6
|
1.0
|
|
C13
|
A:QET701
|
4.7
|
117.9
|
1.0
|
|
CD2
|
A:LEU379
|
4.7
|
106.3
|
1.0
|
|
HD22
|
A:LEU379
|
4.7
|
127.6
|
1.0
|
|
HA3
|
A:GLY373
|
4.7
|
123.5
|
1.0
|
|
HG
|
A:LEU379
|
4.8
|
126.5
|
1.0
|
|
H04
|
A:QET701
|
4.8
|
141.8
|
1.0
|
|
N
|
A:LEU379
|
4.9
|
102.5
|
1.0
|
|
CG
|
A:MET382
|
4.9
|
104.0
|
1.0
|
|
O
|
A:GLY378
|
4.9
|
102.7
|
1.0
|
|
CA
|
A:GLY378
|
4.9
|
102.3
|
1.0
|
|
HG23
|
A:THR472
|
4.9
|
115.9
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 6zbv
Go back to
Fluorine Binding Sites List in 6zbv
Fluorine binding site 3 out
of 6 in the Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F701
b:118.7
occ:1.00
|
F03
|
A:QET701
|
0.0
|
118.7
|
1.0
|
|
C08
|
A:QET701
|
1.4
|
118.7
|
1.0
|
|
F04
|
A:QET701
|
2.2
|
118.5
|
1.0
|
|
F05
|
A:QET701
|
2.2
|
118.7
|
1.0
|
|
C07
|
A:QET701
|
2.3
|
118.7
|
1.0
|
|
HA3
|
A:GLY378
|
2.6
|
122.8
|
1.0
|
|
F02
|
A:QET701
|
2.6
|
119.0
|
1.0
|
|
F01
|
A:QET701
|
2.7
|
118.9
|
1.0
|
|
O
|
A:CYS475
|
2.9
|
102.5
|
1.0
|
|
HA
|
A:LEU476
|
3.0
|
123.2
|
1.0
|
|
HG1
|
A:THR479
|
3.1
|
124.7
|
1.0
|
|
HB3
|
A:CYS475
|
3.1
|
123.8
|
1.0
|
|
C
|
A:CYS475
|
3.3
|
102.3
|
1.0
|
|
OG1
|
A:THR479
|
3.5
|
103.9
|
1.0
|
|
N
|
A:LEU476
|
3.6
|
102.1
|
1.0
|
|
HB2
|
A:CYS475
|
3.6
|
123.8
|
1.0
|
|
CA
|
A:GLY378
|
3.7
|
102.3
|
1.0
|
|
C06
|
A:QET701
|
3.7
|
118.3
|
1.0
|
|
CB
|
A:CYS475
|
3.7
|
103.1
|
1.0
|
|
CA
|
A:LEU476
|
3.7
|
102.7
|
1.0
|
|
H16
|
A:QET701
|
4.0
|
142.0
|
1.0
|
|
HA2
|
A:GLY378
|
4.0
|
122.8
|
1.0
|
|
HB
|
A:THR479
|
4.1
|
124.0
|
1.0
|
|
CA
|
A:CYS475
|
4.1
|
102.4
|
1.0
|
|
HG3
|
A:MET382
|
4.1
|
124.8
|
1.0
|
|
O03
|
A:QET701
|
4.1
|
118.0
|
1.0
|
|
HB2
|
A:LEU476
|
4.2
|
123.7
|
1.0
|
|
C
|
A:GLY378
|
4.2
|
102.6
|
1.0
|
|
H
|
A:LEU476
|
4.2
|
122.5
|
1.0
|
|
CB
|
A:THR479
|
4.3
|
103.3
|
1.0
|
|
H08
|
A:QET701
|
4.4
|
142.0
|
1.0
|
|
HG21
|
A:THR479
|
4.5
|
124.5
|
1.0
|
|
HE3
|
A:TRP376
|
4.5
|
121.4
|
1.0
|
|
H
|
A:GLY378
|
4.5
|
122.0
|
1.0
|
|
O
|
A:GLY378
|
4.5
|
102.7
|
1.0
|
|
SD
|
A:MET382
|
4.6
|
110.0
|
1.0
|
|
HA
|
A:CYS475
|
4.6
|
122.8
|
1.0
|
|
CB
|
A:LEU476
|
4.6
|
103.1
|
1.0
|
|
N
|
A:GLY378
|
4.7
|
101.7
|
1.0
|
|
HD13
|
A:LEU476
|
4.7
|
126.7
|
1.0
|
|
H
|
A:THR479
|
4.8
|
123.7
|
1.0
|
|
C
|
A:LEU476
|
4.9
|
103.0
|
1.0
|
|
HD11
|
A:LEU476
|
4.9
|
126.7
|
1.0
|
|
H18
|
A:QET701
|
4.9
|
141.3
|
1.0
|
|
CG
|
A:MET382
|
4.9
|
104.0
|
1.0
|
|
N
|
A:LEU379
|
5.0
|
102.5
|
1.0
|
|
CG2
|
A:THR479
|
5.0
|
103.7
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 6zbv
Go back to
Fluorine Binding Sites List in 6zbv
Fluorine binding site 4 out
of 6 in the Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F701
b:118.5
occ:1.00
|
F04
|
A:QET701
|
0.0
|
118.5
|
1.0
|
|
C08
|
A:QET701
|
1.4
|
118.7
|
1.0
|
|
F03
|
A:QET701
|
2.2
|
118.7
|
1.0
|
|
F05
|
A:QET701
|
2.2
|
118.7
|
1.0
|
|
C07
|
A:QET701
|
2.4
|
118.7
|
1.0
|
|
O03
|
A:QET701
|
2.7
|
118.0
|
1.0
|
|
F02
|
A:QET701
|
2.8
|
119.0
|
1.0
|
|
HG23
|
A:THR472
|
2.9
|
115.9
|
1.0
|
|
HB2
|
A:CYS475
|
2.9
|
123.8
|
1.0
|
|
C06
|
A:QET701
|
3.0
|
118.3
|
1.0
|
|
H16
|
A:QET701
|
3.1
|
142.0
|
1.0
|
|
HB2
|
A:LEU476
|
3.2
|
123.7
|
1.0
|
|
HA
|
A:LEU476
|
3.5
|
123.2
|
1.0
|
|
HB3
|
A:CYS475
|
3.5
|
123.8
|
1.0
|
|
N
|
A:LEU476
|
3.6
|
102.1
|
1.0
|
|
F01
|
A:QET701
|
3.6
|
118.9
|
1.0
|
|
HZ3
|
A:TRP376
|
3.6
|
122.4
|
1.0
|
|
O
|
A:THR472
|
3.6
|
97.2
|
1.0
|
|
CB
|
A:CYS475
|
3.7
|
103.1
|
1.0
|
|
H
|
A:LEU476
|
3.7
|
122.5
|
1.0
|
|
HE3
|
A:TRP376
|
3.7
|
121.4
|
1.0
|
|
C
|
A:CYS475
|
3.8
|
102.3
|
1.0
|
|
H08
|
A:QET701
|
3.8
|
142.0
|
1.0
|
|
CA
|
A:LEU476
|
3.9
|
102.7
|
1.0
|
|
CG2
|
A:THR472
|
3.9
|
96.6
|
1.0
|
|
C05
|
A:QET701
|
3.9
|
117.7
|
1.0
|
|
CZ3
|
A:TRP376
|
4.0
|
102.0
|
1.0
|
|
CE3
|
A:TRP376
|
4.0
|
101.2
|
1.0
|
|
CB
|
A:LEU476
|
4.0
|
103.1
|
1.0
|
|
HA
|
A:THR472
|
4.0
|
115.5
|
1.0
|
|
HG22
|
A:THR472
|
4.1
|
115.9
|
1.0
|
|
O
|
A:CYS475
|
4.1
|
102.5
|
1.0
|
|
CA
|
A:CYS475
|
4.3
|
102.4
|
1.0
|
|
H18
|
A:QET701
|
4.3
|
141.3
|
1.0
|
|
C10
|
A:QET701
|
4.3
|
117.4
|
1.0
|
|
O04
|
A:QET701
|
4.3
|
117.4
|
1.0
|
|
HG21
|
A:THR472
|
4.4
|
115.9
|
1.0
|
|
HD13
|
A:LEU476
|
4.4
|
126.7
|
1.0
|
|
HA3
|
A:GLY378
|
4.4
|
122.8
|
1.0
|
|
C
|
A:THR472
|
4.6
|
97.3
|
1.0
|
|
C09
|
A:QET701
|
4.6
|
117.5
|
1.0
|
|
HB3
|
A:LEU476
|
4.6
|
123.7
|
1.0
|
|
N01
|
A:QET701
|
4.6
|
117.5
|
1.0
|
|
HG1
|
A:THR472
|
4.7
|
117.5
|
1.0
|
|
CA
|
A:THR472
|
4.7
|
96.2
|
1.0
|
|
H02
|
A:QET701
|
4.7
|
140.9
|
1.0
|
|
C04
|
A:QET701
|
4.7
|
117.4
|
1.0
|
|
CB
|
A:THR472
|
4.8
|
96.8
|
1.0
|
|
H09
|
A:QET701
|
4.8
|
141.1
|
1.0
|
|
H
|
A:CYS475
|
4.9
|
122.6
|
1.0
|
|
C18
|
A:QET701
|
5.0
|
117.8
|
1.0
|
|
CH2
|
A:TRP376
|
5.0
|
102.2
|
1.0
|
|
HG1
|
A:THR479
|
5.0
|
124.7
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 6zbv
Go back to
Fluorine Binding Sites List in 6zbv
Fluorine binding site 5 out
of 6 in the Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F701
b:118.7
occ:1.00
|
F05
|
A:QET701
|
0.0
|
118.7
|
1.0
|
|
C08
|
A:QET701
|
1.4
|
118.7
|
1.0
|
|
F04
|
A:QET701
|
2.2
|
118.5
|
1.0
|
|
F03
|
A:QET701
|
2.2
|
118.7
|
1.0
|
|
HE3
|
A:TRP376
|
2.4
|
121.4
|
1.0
|
|
C07
|
A:QET701
|
2.4
|
118.7
|
1.0
|
|
H16
|
A:QET701
|
2.6
|
142.0
|
1.0
|
|
F01
|
A:QET701
|
2.8
|
118.9
|
1.0
|
|
C06
|
A:QET701
|
3.0
|
118.3
|
1.0
|
|
CE3
|
A:TRP376
|
3.0
|
101.2
|
1.0
|
|
HA3
|
A:GLY378
|
3.0
|
122.8
|
1.0
|
|
HA
|
A:LEU476
|
3.2
|
123.2
|
1.0
|
|
HD13
|
A:LEU476
|
3.3
|
126.7
|
1.0
|
|
HB2
|
A:TRP376
|
3.3
|
121.3
|
1.0
|
|
HB3
|
A:TRP376
|
3.4
|
121.3
|
1.0
|
|
F02
|
A:QET701
|
3.5
|
119.0
|
1.0
|
|
HB2
|
A:LEU476
|
3.6
|
123.7
|
1.0
|
|
O03
|
A:QET701
|
3.6
|
118.0
|
1.0
|
|
H
|
A:GLY378
|
3.7
|
122.0
|
1.0
|
|
H08
|
A:QET701
|
3.8
|
142.0
|
1.0
|
|
CZ3
|
A:TRP376
|
3.8
|
102.0
|
1.0
|
|
CD2
|
A:TRP376
|
3.8
|
100.7
|
1.0
|
|
HZ3
|
A:TRP376
|
3.8
|
122.4
|
1.0
|
|
CB
|
A:TRP376
|
3.8
|
101.1
|
1.0
|
|
CA
|
A:GLY378
|
4.0
|
102.3
|
1.0
|
|
CA
|
A:LEU476
|
4.1
|
102.7
|
1.0
|
|
CG
|
A:TRP376
|
4.2
|
100.8
|
1.0
|
|
CD1
|
A:LEU476
|
4.2
|
105.6
|
1.0
|
|
HD11
|
A:LEU476
|
4.2
|
126.7
|
1.0
|
|
CB
|
A:LEU476
|
4.3
|
103.1
|
1.0
|
|
N
|
A:GLY378
|
4.3
|
101.7
|
1.0
|
|
N
|
A:LEU476
|
4.5
|
102.1
|
1.0
|
|
HG23
|
A:THR472
|
4.5
|
115.9
|
1.0
|
|
O
|
A:CYS475
|
4.7
|
102.5
|
1.0
|
|
H02
|
A:QET701
|
4.7
|
140.9
|
1.0
|
|
HA2
|
A:GLY378
|
4.7
|
122.8
|
1.0
|
|
HG21
|
A:THR479
|
4.8
|
124.5
|
1.0
|
|
C
|
A:CYS475
|
4.8
|
102.3
|
1.0
|
|
C05
|
A:QET701
|
4.8
|
117.7
|
1.0
|
|
HG1
|
A:THR479
|
4.8
|
124.7
|
1.0
|
|
HD22
|
A:LEU476
|
4.8
|
126.9
|
1.0
|
|
CG
|
A:LEU476
|
4.8
|
104.9
|
1.0
|
|
O
|
A:TRP376
|
4.9
|
102.1
|
1.0
|
|
C
|
A:GLY378
|
4.9
|
102.6
|
1.0
|
|
HB
|
A:THR479
|
4.9
|
124.0
|
1.0
|
|
H
|
A:LEU379
|
4.9
|
123.0
|
1.0
|
|
CH2
|
A:TRP376
|
4.9
|
102.2
|
1.0
|
|
CE2
|
A:TRP376
|
4.9
|
101.2
|
1.0
|
|
HB2
|
A:CYS475
|
4.9
|
123.8
|
1.0
|
|
H
|
A:LEU476
|
4.9
|
122.5
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 6zbv
Go back to
Fluorine Binding Sites List in 6zbv
Fluorine binding site 6 out
of 6 in the Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Inward-Open Structure of Human Glycine Transporter 1 in Complex with A Benzoylisoindoline Inhibitor and Sybody SB_GLYT1#7 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F701
b:117.8
occ:1.00
|
F06
|
A:QET701
|
0.0
|
117.8
|
1.0
|
|
C14
|
A:QET701
|
1.3
|
118.1
|
1.0
|
|
C15
|
A:QET701
|
2.3
|
118.5
|
1.0
|
|
C13
|
A:QET701
|
2.3
|
117.9
|
1.0
|
|
H06
|
A:QET701
|
2.4
|
143.6
|
1.0
|
|
H13
|
A:QET701
|
2.4
|
143.8
|
1.0
|
|
H03
|
A:QET701
|
2.4
|
141.4
|
1.0
|
|
HD13
|
A:ILE399
|
2.7
|
125.5
|
1.0
|
|
C22
|
A:QET701
|
2.8
|
119.7
|
1.0
|
|
O05
|
A:QET701
|
2.9
|
119.3
|
1.0
|
|
C23
|
A:QET701
|
3.0
|
119.8
|
1.0
|
|
HD21
|
A:LEU158
|
3.2
|
123.0
|
1.0
|
|
HD12
|
A:ILE399
|
3.2
|
125.5
|
1.0
|
|
CD1
|
A:ILE399
|
3.3
|
104.5
|
1.0
|
|
HZ
|
A:PHE154
|
3.5
|
114.0
|
1.0
|
|
C16
|
A:QET701
|
3.5
|
118.2
|
1.0
|
|
HD11
|
A:ILE399
|
3.6
|
125.5
|
1.0
|
|
H21
|
A:QET701
|
3.7
|
143.8
|
1.0
|
|
C12
|
A:QET701
|
3.8
|
117.7
|
1.0
|
|
HE1
|
A:PHE154
|
3.8
|
114.3
|
1.0
|
|
HD23
|
A:LEU379
|
3.8
|
127.6
|
1.0
|
|
H22
|
A:QET701
|
3.8
|
144.1
|
1.0
|
|
HD13
|
A:LEU158
|
4.0
|
123.1
|
1.0
|
|
C24
|
A:QET701
|
4.0
|
120.1
|
1.0
|
|
HD2
|
A:TYR116
|
4.0
|
124.9
|
1.0
|
|
HG21
|
A:ILE399
|
4.1
|
122.4
|
1.0
|
|
H04
|
A:QET701
|
4.1
|
141.8
|
1.0
|
|
CD2
|
A:LEU158
|
4.2
|
102.5
|
1.0
|
|
C17
|
A:QET701
|
4.2
|
117.9
|
1.0
|
|
HD23
|
A:LEU158
|
4.2
|
123.0
|
1.0
|
|
CZ
|
A:PHE154
|
4.3
|
95.0
|
1.0
|
|
C21
|
A:QET701
|
4.3
|
119.9
|
1.0
|
|
HD21
|
A:LEU379
|
4.3
|
127.6
|
1.0
|
|
CE1
|
A:PHE154
|
4.4
|
95.2
|
1.0
|
|
CD2
|
A:LEU379
|
4.4
|
106.3
|
1.0
|
|
HD22
|
A:LEU379
|
4.5
|
127.6
|
1.0
|
|
CD2
|
A:TYR116
|
4.5
|
104.1
|
1.0
|
|
H20
|
A:QET701
|
4.6
|
143.9
|
1.0
|
|
HB3
|
A:TYR116
|
4.6
|
123.2
|
1.0
|
|
H14
|
A:QET701
|
4.6
|
144.1
|
1.0
|
|
HD12
|
A:LEU158
|
4.7
|
123.1
|
1.0
|
|
CG1
|
A:ILE399
|
4.8
|
103.0
|
1.0
|
|
CD1
|
A:LEU158
|
4.8
|
102.6
|
1.0
|
|
HD22
|
A:LEU158
|
4.8
|
123.0
|
1.0
|
|
H12
|
A:QET701
|
4.8
|
143.9
|
1.0
|
|
H19
|
A:QET701
|
4.9
|
144.2
|
1.0
|
|
HE2
|
A:TYR116
|
4.9
|
125.8
|
1.0
|
|
CE2
|
A:TYR116
|
5.0
|
104.8
|
1.0
|
|
C20
|
A:QET701
|
5.0
|
120.2
|
1.0
|
|
Reference:
A.Shahsavar,
P.Stohler,
G.Bourenkov,
I.Zimmermann,
M.Siegrist,
W.Guba,
E.Pinard,
S.Sinning,
M.A.Seeger,
T.R.Schneider,
R.J.P.Dawson,
P.Nissen.
Structural Insights Into the Inhibition of Glycine Reuptake. Nature 2021.
ISSN: ESSN 1476-4687
PubMed: 33658720
DOI: 10.1038/S41586-021-03274-Z
Page generated: Fri Aug 2 05:04:07 2024
|
