Fluorine in PDB 9auq: Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Protein crystallography data
The structure of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin, PDB code: 9auq
was solved by
B.R.Runge,
R.R.Zadorozhnyi,
C.M.Quinn,
R.W.Russell,
M.Lu,
S.Antolinez,
J.Struppe,
C.D.Schwieters,
I.L.Byeon,
J.Hadden-Perilla,
A.M.Gronenborn,
T.Polenova,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.90 /
2.37
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
42.48,
47.303,
47.282,
78.44,
63.36,
63.37
|
R / Rfree (%)
|
16.5 /
23.4
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
(pdb code 9auq). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin, PDB code: 9auq:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 9auq
Go back to
Fluorine Binding Sites List in 9auq
Fluorine binding site 1 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F10
b:16.7
occ:1.00
|
F
|
A:4FW10
|
0.0
|
16.7
|
1.0
|
CE3
|
A:4FW10
|
1.4
|
13.6
|
1.0
|
CD2
|
A:4FW10
|
2.4
|
14.1
|
1.0
|
CZ3
|
A:4FW10
|
2.4
|
11.0
|
1.0
|
O
|
A:HOH326
|
3.0
|
12.5
|
1.0
|
CG
|
A:4FW10
|
3.2
|
13.2
|
1.0
|
CB
|
A:4FW10
|
3.3
|
14.2
|
1.0
|
CD1
|
A:ILE126
|
3.4
|
4.4
|
1.0
|
N
|
A:4FW10
|
3.5
|
13.1
|
1.0
|
CB
|
A:ASN8
|
3.6
|
13.7
|
1.0
|
CH2
|
A:4FW10
|
3.7
|
9.9
|
1.0
|
CE2
|
A:4FW10
|
3.7
|
16.4
|
1.0
|
CG2
|
A:ILE126
|
3.8
|
13.8
|
1.0
|
C
|
A:GLN9
|
3.8
|
14.6
|
1.0
|
N
|
A:GLN9
|
3.8
|
14.0
|
1.0
|
CB
|
A:ILE126
|
3.9
|
7.4
|
1.0
|
C
|
A:ASN8
|
3.9
|
14.9
|
0.8
|
CA
|
A:4FW10
|
4.0
|
14.5
|
1.0
|
CG1
|
A:ILE126
|
4.1
|
5.7
|
1.0
|
O
|
A:ASN8
|
4.2
|
14.9
|
1.0
|
CA
|
A:GLN9
|
4.2
|
11.4
|
1.0
|
CZ2
|
A:4FW10
|
4.2
|
12.9
|
1.0
|
O
|
A:GLN9
|
4.4
|
15.3
|
0.9
|
CA
|
A:ASN8
|
4.4
|
14.7
|
1.0
|
NH2
|
A:ARG95
|
4.4
|
10.1
|
1.0
|
CD1
|
A:4FW10
|
4.5
|
15.3
|
1.0
|
NE1
|
A:4FW10
|
4.6
|
12.8
|
1.0
|
CG
|
A:ASN8
|
4.7
|
9.4
|
1.0
|
C3
|
A:CXS202
|
4.9
|
10.5
|
1.0
|
O
|
A:HOH303
|
5.0
|
20.2
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 9auq
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Fluorine Binding Sites List in 9auq
Fluorine binding site 2 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F17
b:16.7
occ:1.00
|
F
|
A:4FW17
|
0.0
|
16.7
|
1.0
|
CE3
|
A:4FW17
|
1.4
|
21.1
|
1.0
|
CD2
|
A:4FW17
|
2.3
|
26.8
|
1.0
|
CZ3
|
A:4FW17
|
2.4
|
20.9
|
1.0
|
N
|
A:ASN8
|
2.8
|
9.2
|
1.0
|
C
|
A:GLU7
|
2.8
|
12.3
|
1.0
|
O
|
A:GLU7
|
3.0
|
10.8
|
1.0
|
C
|
A:ASN8
|
3.0
|
14.9
|
0.8
|
CA
|
A:ASN8
|
3.1
|
14.7
|
1.0
|
CG
|
A:4FW17
|
3.1
|
32.5
|
1.0
|
CB
|
A:GLU7
|
3.2
|
12.0
|
1.0
|
O
|
A:ASN8
|
3.2
|
14.9
|
1.0
|
CB
|
A:4FW17
|
3.2
|
19.2
|
1.0
|
N
|
A:GLN9
|
3.5
|
14.0
|
1.0
|
CA
|
A:GLU7
|
3.6
|
10.3
|
1.0
|
CH2
|
A:4FW17
|
3.7
|
24.3
|
1.0
|
CE2
|
A:4FW17
|
3.7
|
28.4
|
1.0
|
CA
|
A:4FW17
|
3.7
|
25.5
|
1.0
|
CG
|
A:LYS129
|
3.8
|
17.6
|
0.5
|
CB
|
A:GLN9
|
4.0
|
23.4
|
1.0
|
CE
|
A:LYS129
|
4.1
|
20.8
|
1.0
|
CZ2
|
A:4FW17
|
4.2
|
23.3
|
1.0
|
N
|
A:ASN18
|
4.2
|
23.0
|
1.0
|
CA
|
A:GLN9
|
4.3
|
11.4
|
1.0
|
CD1
|
A:4FW17
|
4.4
|
31.7
|
1.0
|
O
|
A:GLY127
|
4.4
|
11.2
|
1.0
|
O
|
A:ASN18
|
4.4
|
16.2
|
0.7
|
C
|
A:4FW17
|
4.5
|
26.6
|
1.0
|
CD
|
A:LYS129
|
4.5
|
21.7
|
1.0
|
NE1
|
A:4FW17
|
4.6
|
32.6
|
1.0
|
CG
|
A:GLU7
|
4.6
|
10.2
|
1.0
|
CB
|
A:ASN8
|
4.7
|
13.7
|
1.0
|
N
|
A:LYS129
|
4.7
|
11.5
|
1.0
|
N
|
A:GLU7
|
4.7
|
9.4
|
1.0
|
C
|
A:GLY127
|
4.9
|
12.5
|
1.0
|
N
|
A:4FW17
|
5.0
|
31.1
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 9auq
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Fluorine Binding Sites List in 9auq
Fluorine binding site 3 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F23
b:15.8
occ:1.00
|
F
|
A:4FW23
|
0.0
|
15.8
|
1.0
|
CE3
|
A:4FW23
|
1.4
|
10.7
|
1.0
|
CD2
|
A:4FW23
|
2.3
|
10.3
|
1.0
|
CZ3
|
A:4FW23
|
2.4
|
11.8
|
1.0
|
CB
|
A:4FW23
|
3.1
|
8.0
|
1.0
|
CD2
|
A:LEU92
|
3.1
|
18.2
|
1.0
|
CG
|
A:4FW23
|
3.1
|
13.4
|
1.0
|
CD1
|
A:ILE25
|
3.2
|
8.0
|
1.0
|
CG1
|
A:ILE25
|
3.4
|
9.7
|
1.0
|
CH2
|
A:4FW23
|
3.7
|
13.9
|
1.0
|
CE2
|
A:4FW23
|
3.7
|
12.9
|
1.0
|
O
|
A:ILE91
|
4.0
|
10.5
|
1.0
|
CZ2
|
A:4FW23
|
4.2
|
11.0
|
1.0
|
CE2
|
A:PHE128
|
4.3
|
7.1
|
1.0
|
CA
|
A:LEU92
|
4.3
|
10.5
|
1.0
|
CZ
|
A:PHE128
|
4.3
|
5.8
|
1.0
|
CG
|
A:LEU92
|
4.4
|
11.7
|
1.0
|
CD1
|
A:4FW23
|
4.4
|
13.9
|
1.0
|
CA
|
A:4FW23
|
4.5
|
12.7
|
1.0
|
NE1
|
A:4FW23
|
4.6
|
11.0
|
1.0
|
CB
|
A:LEU92
|
4.6
|
9.9
|
1.0
|
CD1
|
A:ILE103
|
4.9
|
6.1
|
1.0
|
CG2
|
A:VAL6
|
4.9
|
9.4
|
1.0
|
C
|
A:ILE91
|
4.9
|
13.0
|
1.0
|
CB
|
A:ILE25
|
5.0
|
10.8
|
1.0
|
C
|
A:4FW23
|
5.0
|
13.8
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 9auq
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Fluorine Binding Sites List in 9auq
Fluorine binding site 4 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F77
b:16.4
occ:1.00
|
F
|
A:4FW77
|
0.0
|
16.4
|
1.0
|
CE3
|
A:4FW77
|
1.4
|
10.1
|
1.0
|
CD2
|
A:4FW77
|
2.3
|
10.0
|
1.0
|
CZ3
|
A:4FW77
|
2.4
|
10.1
|
1.0
|
CG
|
A:4FW77
|
3.1
|
14.1
|
1.0
|
CB
|
A:4FW77
|
3.2
|
11.6
|
1.0
|
N
|
A:4FW77
|
3.4
|
10.2
|
1.0
|
CD1
|
A:ILE59
|
3.5
|
6.3
|
1.0
|
CB
|
A:ASN75
|
3.6
|
9.9
|
1.0
|
C
|
A:GLN76
|
3.6
|
11.4
|
1.0
|
CH2
|
A:4FW77
|
3.7
|
13.7
|
1.0
|
CE2
|
A:4FW77
|
3.7
|
18.4
|
1.0
|
N
|
A:GLN76
|
3.7
|
12.4
|
1.0
|
CG2
|
A:ILE59
|
3.8
|
9.2
|
1.0
|
CA
|
A:4FW77
|
3.9
|
14.4
|
1.0
|
CB
|
A:ILE59
|
3.9
|
6.5
|
1.0
|
C
|
A:ASN75
|
4.0
|
14.8
|
1.0
|
CA
|
A:GLN76
|
4.0
|
9.5
|
1.0
|
O
|
A:GLN76
|
4.1
|
11.4
|
0.8
|
CG1
|
A:ILE59
|
4.2
|
8.1
|
1.0
|
CZ2
|
A:4FW77
|
4.2
|
15.4
|
1.0
|
O
|
A:ASN75
|
4.4
|
14.5
|
1.0
|
CD1
|
A:4FW77
|
4.4
|
18.6
|
1.0
|
CA
|
A:ASN75
|
4.5
|
13.3
|
1.0
|
NE1
|
A:4FW77
|
4.6
|
13.3
|
1.0
|
NH2
|
A:ARG28
|
4.6
|
8.2
|
1.0
|
CG
|
A:ASN75
|
4.8
|
8.3
|
1.0
|
O
|
A:HOH318
|
4.8
|
14.9
|
1.0
|
C3
|
A:CXS201
|
4.9
|
12.7
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 9auq
Go back to
Fluorine Binding Sites List in 9auq
Fluorine binding site 5 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F84
b:18.4
occ:1.00
|
F
|
A:4FW84
|
0.0
|
18.4
|
1.0
|
CE3
|
A:4FW84
|
1.4
|
15.9
|
1.0
|
CD2
|
A:4FW84
|
2.3
|
19.0
|
1.0
|
CZ3
|
A:4FW84
|
2.4
|
12.6
|
1.0
|
C
|
A:GLU74
|
2.7
|
11.9
|
1.0
|
N
|
A:ASN75
|
2.7
|
13.3
|
1.0
|
O
|
A:ASN75
|
2.9
|
14.5
|
1.0
|
C
|
A:ASN75
|
2.9
|
14.8
|
1.0
|
O
|
A:GLU74
|
2.9
|
10.9
|
1.0
|
CB
|
A:GLU74
|
3.0
|
12.8
|
1.0
|
CA
|
A:ASN75
|
3.1
|
13.3
|
1.0
|
CG
|
A:4FW84
|
3.1
|
24.1
|
1.0
|
CB
|
A:4FW84
|
3.2
|
18.1
|
1.0
|
CA
|
A:GLU74
|
3.4
|
10.7
|
1.0
|
N
|
A:GLN76
|
3.6
|
12.4
|
1.0
|
CH2
|
A:4FW84
|
3.7
|
23.5
|
1.0
|
CA
|
A:4FW84
|
3.7
|
24.7
|
1.0
|
CE2
|
A:4FW84
|
3.7
|
23.1
|
1.0
|
CG
|
A:ARG62
|
4.0
|
13.7
|
0.8
|
N
|
A:HIS85
|
4.0
|
18.6
|
0.7
|
O
|
A:HIS85
|
4.1
|
13.2
|
0.8
|
CB
|
A:GLN76
|
4.1
|
12.4
|
1.0
|
NE
|
A:ARG62
|
4.1
|
22.5
|
1.0
|
CZ2
|
A:4FW84
|
4.2
|
20.9
|
1.0
|
CD
|
A:ARG62
|
4.3
|
26.2
|
1.0
|
CA
|
A:GLN76
|
4.3
|
9.5
|
1.0
|
CD1
|
A:4FW84
|
4.4
|
30.7
|
1.0
|
C
|
A:4FW84
|
4.4
|
27.1
|
1.0
|
CG
|
A:GLU74
|
4.4
|
15.0
|
1.0
|
NE1
|
A:4FW84
|
4.5
|
33.7
|
1.0
|
CB
|
A:ASN75
|
4.6
|
9.9
|
1.0
|
N
|
A:GLU74
|
4.6
|
12.5
|
1.0
|
O
|
A:GLY60
|
4.7
|
8.3
|
1.0
|
CD
|
A:GLU74
|
4.8
|
17.2
|
0.0
|
N
|
A:ARG62
|
4.8
|
9.7
|
1.0
|
CZ
|
A:ARG62
|
5.0
|
21.9
|
0.3
|
N
|
A:4FW84
|
5.0
|
22.1
|
1.0
|
C
|
A:HIS85
|
5.0
|
15.3
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 9auq
Go back to
Fluorine Binding Sites List in 9auq
Fluorine binding site 6 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F90
b:16.4
occ:1.00
|
F
|
A:4FW90
|
0.0
|
16.4
|
1.0
|
CE3
|
A:4FW90
|
1.4
|
8.1
|
1.0
|
CD2
|
A:4FW90
|
2.3
|
12.2
|
1.0
|
CZ3
|
A:4FW90
|
2.4
|
10.1
|
1.0
|
CD2
|
A:LEU92
|
3.1
|
18.2
|
1.0
|
CB
|
A:4FW90
|
3.1
|
9.9
|
1.0
|
CG
|
A:4FW90
|
3.1
|
16.1
|
1.0
|
CD1
|
A:LEU92
|
3.4
|
14.3
|
1.0
|
CG
|
A:LEU92
|
3.5
|
11.7
|
1.0
|
CH2
|
A:4FW90
|
3.7
|
9.9
|
1.0
|
CE2
|
A:4FW90
|
3.7
|
13.1
|
1.0
|
O
|
A:GLU24
|
3.8
|
8.9
|
1.0
|
CG1
|
A:ILE25
|
4.1
|
9.7
|
1.0
|
CZ2
|
A:4FW90
|
4.2
|
11.7
|
1.0
|
CA
|
A:ILE25
|
4.2
|
9.3
|
1.0
|
CD1
|
A:4FW90
|
4.4
|
12.6
|
1.0
|
CZ
|
A:PHE61
|
4.4
|
11.9
|
1.0
|
CE2
|
A:PHE61
|
4.5
|
7.9
|
1.0
|
CA
|
A:4FW90
|
4.5
|
14.1
|
1.0
|
NE1
|
A:4FW90
|
4.5
|
11.7
|
1.0
|
CB
|
A:ILE25
|
4.6
|
10.8
|
1.0
|
CG2
|
A:ILE25
|
4.7
|
9.4
|
0.8
|
C
|
A:GLU24
|
4.8
|
12.2
|
1.0
|
CG2
|
A:VAL73
|
4.8
|
12.3
|
1.0
|
CD1
|
A:ILE36
|
4.9
|
3.7
|
1.0
|
N
|
A:GLY26
|
5.0
|
8.5
|
1.0
|
N
|
A:ILE25
|
5.0
|
10.6
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 9auq
Go back to
Fluorine Binding Sites List in 9auq
Fluorine binding site 7 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F10
b:13.6
occ:1.00
|
F
|
B:4FW10
|
0.0
|
13.6
|
1.0
|
CE3
|
B:4FW10
|
1.4
|
12.6
|
1.0
|
CD2
|
B:4FW10
|
2.4
|
12.8
|
1.0
|
CZ3
|
B:4FW10
|
2.4
|
10.3
|
1.0
|
CG
|
B:4FW10
|
3.2
|
13.5
|
1.0
|
O
|
B:HOH327
|
3.2
|
10.7
|
1.0
|
CB
|
B:4FW10
|
3.3
|
12.4
|
1.0
|
CD1
|
B:ILE126
|
3.4
|
4.6
|
1.0
|
N
|
B:4FW10
|
3.5
|
10.4
|
1.0
|
CB
|
B:ASN8
|
3.6
|
9.0
|
1.0
|
CH2
|
B:4FW10
|
3.7
|
11.1
|
1.0
|
N
|
B:GLN9
|
3.7
|
12.3
|
1.0
|
C
|
B:GLN9
|
3.7
|
13.0
|
1.0
|
CE2
|
B:4FW10
|
3.7
|
18.0
|
1.0
|
CG2
|
B:ILE126
|
3.8
|
9.8
|
1.0
|
CB
|
B:ILE126
|
3.8
|
7.0
|
1.0
|
C
|
B:ASN8
|
3.9
|
14.2
|
0.9
|
CA
|
B:4FW10
|
3.9
|
15.7
|
1.0
|
CA
|
B:GLN9
|
4.1
|
13.9
|
1.0
|
CG1
|
B:ILE126
|
4.1
|
6.3
|
1.0
|
CZ2
|
B:4FW10
|
4.2
|
14.1
|
1.0
|
O
|
B:GLN9
|
4.2
|
15.8
|
0.7
|
O
|
B:ASN8
|
4.3
|
16.2
|
1.0
|
CA
|
B:ASN8
|
4.4
|
16.3
|
1.0
|
CD1
|
B:4FW10
|
4.5
|
20.7
|
1.0
|
NH2
|
B:ARG95
|
4.5
|
6.5
|
1.0
|
NE1
|
B:4FW10
|
4.6
|
15.8
|
1.0
|
O
|
B:HOH317
|
4.8
|
19.4
|
1.0
|
CG
|
B:ASN8
|
4.8
|
8.3
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 9auq
Go back to
Fluorine Binding Sites List in 9auq
Fluorine binding site 8 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F17
b:14.1
occ:1.00
|
F
|
B:4FW17
|
0.0
|
14.1
|
1.0
|
CE3
|
B:4FW17
|
1.4
|
23.3
|
1.0
|
CD2
|
B:4FW17
|
2.3
|
26.7
|
1.0
|
CZ3
|
B:4FW17
|
2.4
|
16.0
|
1.0
|
C
|
B:GLU7
|
2.8
|
13.2
|
1.0
|
N
|
B:ASN8
|
2.9
|
10.3
|
1.0
|
O
|
B:GLU7
|
2.9
|
10.7
|
0.9
|
C
|
B:ASN8
|
3.0
|
14.2
|
0.9
|
O
|
B:ASN8
|
3.1
|
16.2
|
1.0
|
CG
|
B:4FW17
|
3.1
|
35.3
|
1.0
|
CB
|
B:4FW17
|
3.2
|
21.7
|
1.0
|
CB
|
B:GLU7
|
3.2
|
11.4
|
1.0
|
CA
|
B:ASN8
|
3.2
|
16.3
|
1.0
|
CA
|
B:GLU7
|
3.6
|
10.6
|
1.0
|
CA
|
B:4FW17
|
3.6
|
24.6
|
1.0
|
N
|
B:GLN9
|
3.7
|
12.3
|
1.0
|
CH2
|
B:4FW17
|
3.7
|
19.7
|
1.0
|
CE2
|
B:4FW17
|
3.7
|
25.9
|
1.0
|
CB
|
B:GLN9
|
3.9
|
16.8
|
1.0
|
N
|
B:ASN18
|
4.1
|
21.5
|
0.8
|
CZ2
|
B:4FW17
|
4.2
|
21.3
|
1.0
|
O
|
B:ASN18
|
4.2
|
14.6
|
0.8
|
C
|
B:4FW17
|
4.3
|
28.2
|
1.0
|
CA
|
B:GLN9
|
4.3
|
13.9
|
1.0
|
CE
|
B:LYS129
|
4.3
|
23.2
|
0.7
|
NZ
|
B:LYS129
|
4.4
|
33.0
|
1.0
|
CD1
|
B:4FW17
|
4.4
|
39.6
|
1.0
|
CB
|
B:LYS129
|
4.5
|
17.8
|
1.0
|
O
|
B:GLY127
|
4.5
|
9.7
|
1.0
|
NE1
|
B:4FW17
|
4.5
|
44.4
|
1.0
|
CG
|
B:GLU7
|
4.6
|
11.6
|
1.0
|
N
|
B:LYS129
|
4.7
|
16.3
|
1.0
|
CB
|
B:ASN8
|
4.8
|
9.0
|
1.0
|
N
|
B:GLU7
|
4.8
|
8.2
|
1.0
|
N
|
B:4FW17
|
4.9
|
26.9
|
1.0
|
CD
|
B:GLU7
|
5.0
|
12.1
|
0.5
|
C
|
B:GLY127
|
5.0
|
11.5
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 9auq
Go back to
Fluorine Binding Sites List in 9auq
Fluorine binding site 9 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F23
b:13.3
occ:1.00
|
F
|
B:4FW23
|
0.0
|
13.3
|
1.0
|
CE3
|
B:4FW23
|
1.4
|
10.9
|
1.0
|
CD2
|
B:4FW23
|
2.3
|
13.0
|
1.0
|
CZ3
|
B:4FW23
|
2.4
|
10.6
|
1.0
|
CG
|
B:4FW23
|
3.1
|
14.3
|
1.0
|
CB
|
B:4FW23
|
3.1
|
7.9
|
1.0
|
CD2
|
B:LEU92
|
3.1
|
15.7
|
1.0
|
CD1
|
B:ILE25
|
3.3
|
10.4
|
1.0
|
CG1
|
B:ILE25
|
3.5
|
11.4
|
1.0
|
CH2
|
B:4FW23
|
3.7
|
13.1
|
1.0
|
CE2
|
B:4FW23
|
3.7
|
11.6
|
1.0
|
O
|
B:ILE91
|
3.9
|
11.3
|
1.0
|
CA
|
B:LEU92
|
4.2
|
8.6
|
1.0
|
CZ2
|
B:4FW23
|
4.2
|
13.3
|
1.0
|
CE2
|
B:PHE128
|
4.3
|
10.1
|
1.0
|
CG
|
B:LEU92
|
4.4
|
13.1
|
1.0
|
CD1
|
B:4FW23
|
4.4
|
14.6
|
1.0
|
CB
|
B:LEU92
|
4.4
|
9.3
|
1.0
|
CZ
|
B:PHE128
|
4.4
|
11.3
|
1.0
|
NE1
|
B:4FW23
|
4.5
|
15.4
|
1.0
|
CA
|
B:4FW23
|
4.5
|
13.4
|
1.0
|
CD1
|
B:ILE103
|
4.7
|
9.8
|
1.0
|
C
|
B:ILE91
|
4.8
|
8.5
|
1.0
|
CG2
|
B:VAL6
|
4.9
|
10.6
|
1.0
|
N
|
B:GLY93
|
5.0
|
9.8
|
1.0
|
N
|
B:LEU92
|
5.0
|
9.9
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 9auq
Go back to
Fluorine Binding Sites List in 9auq
Fluorine binding site 10 out
of 12 in the Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structure of 4-Fluoro-Tryptophan Labeled Oscillatoria Agardhii Agglutinin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F77
b:17.7
occ:1.00
|
F
|
B:4FW77
|
0.0
|
17.7
|
1.0
|
CE3
|
B:4FW77
|
1.4
|
14.2
|
1.0
|
CD2
|
B:4FW77
|
2.3
|
10.9
|
1.0
|
CZ3
|
B:4FW77
|
2.4
|
13.6
|
1.0
|
CG
|
B:4FW77
|
3.2
|
11.2
|
1.0
|
CB
|
B:4FW77
|
3.3
|
12.8
|
1.0
|
CD1
|
B:ILE59
|
3.4
|
4.5
|
1.0
|
N
|
B:4FW77
|
3.5
|
9.4
|
1.0
|
CB
|
B:ASN75
|
3.6
|
10.8
|
1.0
|
CH2
|
B:4FW77
|
3.7
|
11.8
|
1.0
|
CE2
|
B:4FW77
|
3.7
|
16.5
|
1.0
|
C
|
B:GLN76
|
3.8
|
11.8
|
1.0
|
CG2
|
B:ILE59
|
3.8
|
9.2
|
1.0
|
N
|
B:GLN76
|
3.9
|
12.0
|
1.0
|
CB
|
B:ILE59
|
3.9
|
7.2
|
1.0
|
CA
|
B:4FW77
|
3.9
|
12.6
|
1.0
|
C
|
B:ASN75
|
4.0
|
14.7
|
1.0
|
CG1
|
B:ILE59
|
4.1
|
8.6
|
1.0
|
CA
|
B:GLN76
|
4.2
|
11.2
|
1.0
|
CZ2
|
B:4FW77
|
4.2
|
16.2
|
1.0
|
O
|
B:GLN76
|
4.3
|
14.6
|
0.8
|
O
|
B:ASN75
|
4.4
|
17.3
|
1.0
|
NH2
|
B:ARG28
|
4.4
|
6.5
|
1.0
|
CD1
|
B:4FW77
|
4.4
|
17.5
|
1.0
|
CA
|
B:ASN75
|
4.5
|
13.0
|
1.0
|
NE1
|
B:4FW77
|
4.6
|
13.0
|
1.0
|
CG
|
B:ASN75
|
4.7
|
7.1
|
1.0
|
C3
|
B:CXS201
|
4.8
|
10.8
|
1.0
|
|
Reference:
B.R.Runge,
R.Zadorozhnyi,
C.M.Quinn,
R.W.Russell,
M.Lu,
S.Antolinez,
J.Struppe,
C.D.Schwieters,
I.L.Byeon,
J.A.Hadden-Perilla,
A.M.Gronenborn,
T.Polenova.
Integrating 19 F Distance Restraints For Accurate Protein Structure Determination By Magic Angle Spinning uc(Nmr) Spectroscopy. J.Am.Chem.Soc. 2024.
ISSN: ESSN 1520-5126
PubMed: 39440810
DOI: 10.1021/JACS.4C11373
Page generated: Wed Nov 13 08:39:10 2024
|