Fluorine in PDB 7qz9: Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Protein crystallography data
The structure of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp, PDB code: 7qz9
was solved by
A.M.W.H.Thunnissen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
43.39 /
2.31
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
102.377,
34.969,
68.107,
90,
97.54,
90
|
R / Rfree (%)
|
22.9 /
29
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
(pdb code 7qz9). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the
Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp, PDB code: 7qz9:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Fluorine binding site 1 out
of 8 in 7qz9
Go back to
Fluorine Binding Sites List in 7qz9
Fluorine binding site 1 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F67
b:109.2
occ:1.00
|
FAD
|
A:I3D67
|
0.0
|
109.2
|
1.0
|
CH2
|
A:I3D67
|
1.4
|
114.2
|
1.0
|
CZ2
|
A:I3D67
|
2.4
|
107.3
|
1.0
|
CZ3
|
A:I3D67
|
2.4
|
126.8
|
1.0
|
HZ2
|
A:I3D67
|
2.6
|
129.0
|
1.0
|
FAE
|
A:I3D67
|
2.8
|
110.9
|
1.0
|
CE2
|
A:I3D67
|
3.6
|
114.0
|
1.0
|
CE3
|
A:I3D67
|
3.7
|
130.4
|
1.0
|
HB2
|
A:LYS77
|
3.8
|
117.3
|
1.0
|
CD2
|
A:I3D67
|
4.1
|
126.5
|
1.0
|
HD3
|
A:LYS77
|
4.4
|
111.5
|
1.0
|
HE3
|
A:I3D67
|
4.6
|
156.8
|
1.0
|
HD2
|
A:LYS77
|
4.7
|
111.5
|
1.0
|
CB
|
A:LYS77
|
4.7
|
97.5
|
1.0
|
HB3
|
A:LYS77
|
4.8
|
117.3
|
1.0
|
NE1
|
A:I3D67
|
4.9
|
117.0
|
1.0
|
CD
|
A:LYS77
|
5.0
|
92.7
|
1.0
|
|
Fluorine binding site 2 out
of 8 in 7qz9
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Fluorine Binding Sites List in 7qz9
Fluorine binding site 2 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F67
b:110.9
occ:1.00
|
FAE
|
A:I3D67
|
0.0
|
110.9
|
1.0
|
CZ3
|
A:I3D67
|
1.4
|
126.8
|
1.0
|
CE3
|
A:I3D67
|
2.4
|
130.4
|
1.0
|
CH2
|
A:I3D67
|
2.4
|
114.2
|
1.0
|
HE3
|
A:I3D67
|
2.6
|
156.8
|
1.0
|
FAD
|
A:I3D67
|
2.8
|
109.2
|
1.0
|
HA
|
A:ARG76
|
3.2
|
116.9
|
1.0
|
O
|
A:ARG75
|
3.5
|
107.5
|
1.0
|
CZ2
|
A:I3D67
|
3.7
|
107.3
|
1.0
|
CD2
|
A:I3D67
|
3.7
|
126.5
|
1.0
|
H
|
A:LYS77
|
3.7
|
130.8
|
1.0
|
CA
|
A:ARG76
|
3.9
|
97.2
|
1.0
|
HB2
|
A:LYS77
|
3.9
|
117.3
|
1.0
|
N
|
A:LYS77
|
3.9
|
108.8
|
1.0
|
C
|
A:ARG75
|
3.9
|
113.9
|
1.0
|
C
|
A:ARG76
|
4.0
|
116.0
|
1.0
|
N
|
A:ARG76
|
4.1
|
109.1
|
1.0
|
CE2
|
A:I3D67
|
4.2
|
114.0
|
1.0
|
HB3
|
A:ARG75
|
4.4
|
135.2
|
1.0
|
HZ2
|
A:I3D67
|
4.5
|
129.0
|
1.0
|
HD3
|
A:ARG76
|
4.6
|
168.3
|
1.0
|
HB2
|
A:ARG75
|
4.7
|
135.2
|
1.0
|
CB
|
A:LYS77
|
4.7
|
97.5
|
1.0
|
H
|
A:ARG76
|
4.7
|
131.2
|
1.0
|
O
|
A:ARG76
|
4.7
|
117.5
|
1.0
|
CA
|
A:LYS77
|
4.8
|
89.3
|
1.0
|
HH11
|
A:ARG76
|
4.8
|
153.3
|
1.0
|
HA
|
A:LYS77
|
4.9
|
107.5
|
1.0
|
CB
|
A:ARG75
|
4.9
|
112.5
|
1.0
|
HB3
|
A:LYS77
|
4.9
|
117.3
|
1.0
|
CG
|
A:I3D67
|
5.0
|
116.0
|
1.0
|
|
Fluorine binding site 3 out
of 8 in 7qz9
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Fluorine Binding Sites List in 7qz9
Fluorine binding site 3 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F96
b:106.3
occ:1.00
|
FAD
|
A:I3D96
|
0.0
|
106.3
|
1.0
|
CH2
|
A:I3D96
|
1.4
|
81.0
|
1.0
|
CZ2
|
A:I3D96
|
2.3
|
84.7
|
1.0
|
CZ3
|
A:I3D96
|
2.4
|
74.2
|
1.0
|
HZ2
|
A:I3D96
|
2.6
|
101.8
|
1.0
|
FAE
|
A:I3D96
|
2.7
|
64.9
|
1.0
|
HB1
|
B:ALA11
|
2.8
|
76.5
|
1.0
|
HA
|
B:GLN12
|
3.1
|
71.2
|
1.0
|
HB3
|
B:ALA11
|
3.2
|
76.5
|
1.0
|
HG3
|
B:GLN12
|
3.3
|
87.5
|
1.0
|
N
|
B:GLN12
|
3.4
|
80.9
|
1.0
|
C
|
B:ALA11
|
3.4
|
76.0
|
1.0
|
CB
|
B:ALA11
|
3.4
|
63.5
|
1.0
|
HG21
|
B:VAL15
|
3.5
|
75.5
|
1.0
|
CE2
|
A:I3D96
|
3.6
|
79.8
|
1.0
|
O
|
B:ALA11
|
3.6
|
64.8
|
1.0
|
CE3
|
A:I3D96
|
3.7
|
75.6
|
1.0
|
H
|
B:GLN12
|
3.7
|
97.3
|
1.0
|
CA
|
B:GLN12
|
3.7
|
59.1
|
1.0
|
HG23
|
B:VAL15
|
3.7
|
75.5
|
1.0
|
HG2
|
B:GLN12
|
3.8
|
87.5
|
1.0
|
CG
|
B:GLN12
|
3.9
|
72.7
|
1.0
|
CA
|
B:ALA11
|
4.0
|
59.0
|
1.0
|
CG2
|
B:VAL15
|
4.1
|
62.8
|
1.0
|
CD2
|
A:I3D96
|
4.1
|
75.0
|
1.0
|
HB2
|
B:ALA11
|
4.3
|
76.5
|
1.0
|
HB
|
B:VAL15
|
4.4
|
71.8
|
1.0
|
CB
|
B:GLN12
|
4.4
|
67.0
|
1.0
|
HA
|
B:ALA11
|
4.5
|
71.1
|
1.0
|
HE3
|
A:I3D96
|
4.5
|
91.0
|
1.0
|
O
|
B:MET8
|
4.6
|
81.0
|
1.0
|
HE2
|
A:MET8
|
4.8
|
126.7
|
1.0
|
CB
|
B:VAL15
|
4.8
|
59.6
|
1.0
|
HG22
|
B:VAL15
|
4.8
|
75.5
|
1.0
|
NE1
|
A:I3D96
|
4.9
|
96.1
|
1.0
|
C
|
B:GLN12
|
4.9
|
55.7
|
1.0
|
H
|
B:VAL15
|
5.0
|
58.9
|
1.0
|
|
Fluorine binding site 4 out
of 8 in 7qz9
Go back to
Fluorine Binding Sites List in 7qz9
Fluorine binding site 4 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F96
b:64.9
occ:1.00
|
FAE
|
A:I3D96
|
0.0
|
64.9
|
1.0
|
CZ3
|
A:I3D96
|
1.4
|
74.2
|
1.0
|
CH2
|
A:I3D96
|
2.4
|
81.0
|
1.0
|
CE3
|
A:I3D96
|
2.4
|
75.6
|
1.0
|
HG21
|
B:VAL15
|
2.6
|
75.5
|
1.0
|
HE3
|
A:I3D96
|
2.7
|
91.0
|
1.0
|
FAD
|
A:I3D96
|
2.7
|
106.3
|
1.0
|
HG11
|
A:VAL99
|
3.1
|
93.4
|
1.0
|
HG11
|
B:VAL15
|
3.2
|
91.1
|
1.0
|
HB
|
B:VAL15
|
3.4
|
71.8
|
1.0
|
CG2
|
B:VAL15
|
3.5
|
62.8
|
1.0
|
HA
|
B:GLN12
|
3.5
|
71.2
|
1.0
|
CZ2
|
A:I3D96
|
3.6
|
84.7
|
1.0
|
CD2
|
A:I3D96
|
3.7
|
75.0
|
1.0
|
CB
|
B:VAL15
|
3.8
|
59.6
|
1.0
|
HG23
|
B:VAL15
|
3.9
|
75.5
|
1.0
|
HG2
|
B:GLN12
|
3.9
|
87.5
|
1.0
|
CG1
|
B:VAL15
|
3.9
|
75.7
|
1.0
|
CG1
|
A:VAL99
|
3.9
|
77.6
|
1.0
|
HG12
|
A:VAL99
|
4.0
|
93.4
|
1.0
|
CE2
|
A:I3D96
|
4.2
|
79.8
|
1.0
|
HG22
|
B:VAL15
|
4.2
|
75.5
|
1.0
|
HG21
|
A:VAL99
|
4.3
|
76.3
|
1.0
|
HG12
|
B:VAL15
|
4.3
|
91.1
|
1.0
|
CA
|
B:GLN12
|
4.4
|
59.1
|
1.0
|
HG3
|
B:GLN12
|
4.5
|
87.5
|
1.0
|
HZ2
|
A:I3D96
|
4.5
|
101.8
|
1.0
|
HB
|
A:VAL99
|
4.5
|
88.0
|
1.0
|
CG
|
B:GLN12
|
4.6
|
72.7
|
1.0
|
HG13
|
A:VAL99
|
4.6
|
93.4
|
1.0
|
HG13
|
B:VAL15
|
4.6
|
91.1
|
1.0
|
CB
|
A:VAL99
|
4.7
|
73.1
|
1.0
|
O
|
B:ALA11
|
4.9
|
64.8
|
1.0
|
CG2
|
A:VAL99
|
5.0
|
63.4
|
1.0
|
CB
|
B:GLN12
|
5.0
|
67.0
|
1.0
|
CG
|
A:I3D96
|
5.0
|
84.9
|
1.0
|
|
Fluorine binding site 5 out
of 8 in 7qz9
Go back to
Fluorine Binding Sites List in 7qz9
Fluorine binding site 5 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F67
b:69.0
occ:1.00
|
FAD
|
B:I3D67
|
0.0
|
69.0
|
1.0
|
CH2
|
B:I3D67
|
1.4
|
74.1
|
1.0
|
CZ2
|
B:I3D67
|
2.3
|
76.0
|
1.0
|
CZ3
|
B:I3D67
|
2.4
|
66.3
|
1.0
|
HZ2
|
B:I3D67
|
2.6
|
91.5
|
1.0
|
FAE
|
B:I3D67
|
2.8
|
71.2
|
1.0
|
HB2
|
B:LYS77
|
3.3
|
67.7
|
1.0
|
CE2
|
B:I3D67
|
3.6
|
66.7
|
1.0
|
CE3
|
B:I3D67
|
3.7
|
69.8
|
1.0
|
HD2
|
B:LYS77
|
4.0
|
80.4
|
1.0
|
CD2
|
B:I3D67
|
4.1
|
75.0
|
1.0
|
CB
|
B:LYS77
|
4.3
|
56.2
|
1.0
|
HD3
|
B:LYS77
|
4.3
|
80.4
|
1.0
|
CD
|
B:LYS77
|
4.5
|
66.8
|
1.0
|
HE3
|
B:I3D67
|
4.6
|
84.0
|
1.0
|
H
|
B:LYS77
|
4.6
|
58.3
|
1.0
|
HB3
|
B:LYS77
|
4.6
|
67.7
|
1.0
|
N
|
B:LYS77
|
4.8
|
48.4
|
1.0
|
NE1
|
B:I3D67
|
4.8
|
68.3
|
1.0
|
CG
|
B:LYS77
|
5.0
|
68.1
|
1.0
|
|
Fluorine binding site 6 out
of 8 in 7qz9
Go back to
Fluorine Binding Sites List in 7qz9
Fluorine binding site 6 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F67
b:71.2
occ:1.00
|
FAE
|
B:I3D67
|
0.0
|
71.2
|
1.0
|
CZ3
|
B:I3D67
|
1.4
|
66.3
|
1.0
|
CE3
|
B:I3D67
|
2.4
|
69.8
|
1.0
|
CH2
|
B:I3D67
|
2.4
|
74.1
|
1.0
|
HE3
|
B:I3D67
|
2.6
|
84.0
|
1.0
|
FAD
|
B:I3D67
|
2.8
|
69.0
|
1.0
|
HA
|
B:ARG76
|
3.2
|
63.3
|
1.0
|
HB3
|
B:ARG75
|
3.3
|
103.7
|
1.0
|
O
|
B:ARG75
|
3.4
|
78.9
|
1.0
|
C
|
B:ARG75
|
3.6
|
69.4
|
1.0
|
CD2
|
B:I3D67
|
3.6
|
75.0
|
1.0
|
CZ2
|
B:I3D67
|
3.6
|
76.0
|
1.0
|
C
|
B:ARG76
|
3.7
|
55.5
|
1.0
|
CA
|
B:ARG76
|
3.7
|
52.6
|
1.0
|
H
|
B:LYS77
|
3.7
|
58.3
|
1.0
|
N
|
B:ARG76
|
3.7
|
76.2
|
1.0
|
N
|
B:LYS77
|
3.8
|
48.4
|
1.0
|
HB2
|
B:ARG75
|
3.8
|
103.7
|
1.0
|
CB
|
B:ARG75
|
3.9
|
86.2
|
1.0
|
HB2
|
B:LYS77
|
4.0
|
67.7
|
1.0
|
CE2
|
B:I3D67
|
4.1
|
66.7
|
1.0
|
H
|
B:ARG76
|
4.2
|
91.7
|
1.0
|
O
|
B:ARG76
|
4.2
|
64.0
|
1.0
|
CA
|
B:ARG75
|
4.5
|
104.2
|
1.0
|
HZ2
|
B:I3D67
|
4.5
|
91.5
|
1.0
|
HA
|
B:LYS77
|
4.6
|
62.8
|
1.0
|
CA
|
B:LYS77
|
4.6
|
52.1
|
1.0
|
HD3
|
B:ARG75
|
4.6
|
121.0
|
1.0
|
CB
|
B:LYS77
|
4.7
|
56.2
|
1.0
|
CG
|
B:I3D67
|
4.9
|
71.7
|
1.0
|
HD3
|
B:ARG76
|
4.9
|
118.4
|
1.0
|
HD2
|
B:ARG75
|
5.0
|
121.0
|
1.0
|
|
Fluorine binding site 7 out
of 8 in 7qz9
Go back to
Fluorine Binding Sites List in 7qz9
Fluorine binding site 7 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F96
b:91.5
occ:1.00
|
FAD
|
B:I3D96
|
0.0
|
91.5
|
1.0
|
CH2
|
B:I3D96
|
1.4
|
84.8
|
1.0
|
CZ2
|
B:I3D96
|
2.4
|
110.4
|
1.0
|
CZ3
|
B:I3D96
|
2.4
|
86.8
|
1.0
|
HZ2
|
B:I3D96
|
2.6
|
132.7
|
1.0
|
HA
|
A:GLN12
|
2.7
|
104.1
|
1.0
|
FAE
|
B:I3D96
|
2.7
|
86.2
|
1.0
|
HB1
|
A:ALA11
|
2.8
|
88.8
|
1.0
|
HG21
|
A:VAL15
|
2.9
|
94.3
|
1.0
|
C
|
A:ALA11
|
3.0
|
96.0
|
1.0
|
N
|
A:GLN12
|
3.1
|
95.5
|
1.0
|
HB3
|
A:ALA11
|
3.1
|
88.8
|
1.0
|
O
|
A:ALA11
|
3.2
|
77.8
|
1.0
|
HG23
|
A:VAL15
|
3.2
|
94.3
|
1.0
|
CB
|
A:ALA11
|
3.3
|
73.8
|
1.0
|
CA
|
A:GLN12
|
3.3
|
86.5
|
1.0
|
HG3
|
A:GLN12
|
3.4
|
108.9
|
1.0
|
H
|
A:GLN12
|
3.4
|
114.8
|
1.0
|
CG2
|
A:VAL15
|
3.4
|
78.4
|
1.0
|
CE3
|
B:I3D96
|
3.6
|
100.2
|
1.0
|
CE2
|
B:I3D96
|
3.7
|
98.0
|
1.0
|
HG2
|
A:GLN12
|
3.7
|
108.9
|
1.0
|
HB
|
A:VAL15
|
3.7
|
97.0
|
1.0
|
CA
|
A:ALA11
|
3.7
|
92.1
|
1.0
|
CG
|
A:GLN12
|
3.9
|
90.5
|
1.0
|
CD2
|
B:I3D96
|
4.1
|
101.5
|
1.0
|
CB
|
A:VAL15
|
4.1
|
80.7
|
1.0
|
HB2
|
A:ALA11
|
4.2
|
88.8
|
1.0
|
CB
|
A:GLN12
|
4.2
|
95.4
|
1.0
|
HG22
|
A:VAL15
|
4.2
|
94.3
|
1.0
|
HA
|
A:ALA11
|
4.2
|
110.7
|
1.0
|
H
|
A:VAL15
|
4.5
|
91.6
|
1.0
|
O
|
A:MET8
|
4.5
|
77.1
|
1.0
|
HE3
|
B:I3D96
|
4.5
|
120.5
|
1.0
|
C
|
A:GLN12
|
4.5
|
80.0
|
1.0
|
HG11
|
A:VAL15
|
4.6
|
101.0
|
1.0
|
HB3
|
A:GLN12
|
4.8
|
114.7
|
1.0
|
HB2
|
A:GLN12
|
4.8
|
114.7
|
1.0
|
N
|
A:ALA11
|
4.9
|
66.4
|
1.0
|
NE1
|
B:I3D96
|
4.9
|
91.3
|
1.0
|
O
|
A:GLN12
|
4.9
|
74.8
|
1.0
|
CG1
|
A:VAL15
|
5.0
|
84.0
|
1.0
|
|
Fluorine binding site 8 out
of 8 in 7qz9
Go back to
Fluorine Binding Sites List in 7qz9
Fluorine binding site 8 out
of 8 in the Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Transcriptional Regulator Lmrr with Trp-67 and Trp-96 Replaced By the Unnatural Amino Acid 5,6-Difluorotrp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F96
b:86.2
occ:1.00
|
FAE
|
B:I3D96
|
0.0
|
86.2
|
1.0
|
CZ3
|
B:I3D96
|
1.4
|
86.8
|
1.0
|
CH2
|
B:I3D96
|
2.4
|
84.8
|
1.0
|
CE3
|
B:I3D96
|
2.4
|
100.2
|
1.0
|
HE3
|
B:I3D96
|
2.6
|
120.5
|
1.0
|
HG21
|
A:VAL15
|
2.7
|
94.3
|
1.0
|
FAD
|
B:I3D96
|
2.7
|
91.5
|
1.0
|
HG11
|
A:VAL15
|
2.8
|
101.0
|
1.0
|
HG11
|
B:VAL99
|
3.1
|
98.2
|
1.0
|
HB
|
A:VAL15
|
3.2
|
97.0
|
1.0
|
HA
|
A:GLN12
|
3.4
|
104.1
|
1.0
|
CG2
|
A:VAL15
|
3.5
|
78.4
|
1.0
|
CG1
|
A:VAL15
|
3.5
|
84.0
|
1.0
|
CB
|
A:VAL15
|
3.6
|
80.7
|
1.0
|
CZ2
|
B:I3D96
|
3.6
|
110.4
|
1.0
|
CD2
|
B:I3D96
|
3.7
|
101.5
|
1.0
|
HG2
|
A:GLN12
|
3.8
|
108.9
|
1.0
|
HG12
|
A:VAL15
|
3.9
|
101.0
|
1.0
|
HG23
|
A:VAL15
|
3.9
|
94.3
|
1.0
|
CG1
|
B:VAL99
|
3.9
|
81.7
|
1.0
|
HG21
|
B:VAL99
|
4.0
|
109.1
|
1.0
|
HG12
|
B:VAL99
|
4.0
|
98.2
|
1.0
|
HB
|
B:VAL99
|
4.1
|
103.3
|
1.0
|
CE2
|
B:I3D96
|
4.2
|
98.0
|
1.0
|
HG22
|
A:VAL15
|
4.2
|
94.3
|
1.0
|
HG13
|
A:VAL15
|
4.3
|
101.0
|
1.0
|
CA
|
A:GLN12
|
4.3
|
86.5
|
1.0
|
CB
|
B:VAL99
|
4.5
|
85.9
|
1.0
|
CG
|
A:GLN12
|
4.5
|
90.5
|
1.0
|
HG3
|
A:GLN12
|
4.5
|
108.9
|
1.0
|
HZ2
|
B:I3D96
|
4.5
|
132.7
|
1.0
|
HG13
|
B:VAL99
|
4.7
|
98.2
|
1.0
|
CG2
|
B:VAL99
|
4.7
|
90.7
|
1.0
|
HA
|
B:I3D96
|
4.9
|
103.6
|
1.0
|
CB
|
A:GLN12
|
4.9
|
95.4
|
1.0
|
O
|
A:ALA11
|
4.9
|
77.8
|
1.0
|
HD11
|
B:ILE103
|
4.9
|
125.7
|
1.0
|
N
|
A:GLN12
|
4.9
|
95.5
|
1.0
|
HB3
|
A:GLN12
|
5.0
|
114.7
|
1.0
|
CG
|
B:I3D96
|
5.0
|
96.3
|
1.0
|
|
Reference:
J.Shao,
B.P.Kuiper,
A.W.H.Thunnissen,
R.H.Cool,
L.Zhou,
C.Huang,
B.W.Dijkstra,
J.Broos.
The Role of Tryptophan in Pi Interactions in Proteins: An Experimental Approach. J.Am.Chem.Soc. V. 144 13815 2022.
ISSN: ESSN 1520-5126
PubMed: 35868012
DOI: 10.1021/JACS.2C04986
Page generated: Fri Aug 2 11:55:45 2024
|