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Showing PDB: 1QAW
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Receptor
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Ligand
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Structure Biounit | Ligand Information
PDB :
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Receptor
PDB id
Resolution
Class
Description
Source
Keywords
1QAW
2.5 Å
NON-ENZYME:
TRANSCRIPT_TRANSLATE
REGULATORY FEATURES OF THE TRP OPERON AND THE CRYSTAL STRUCT TRP RNA-BINDING ATTENUATION PROTEIN FROM BACILLUS STEAROTHE
GEOBACILLUS STEAROTHERMOPHILUS
CIRCULAR ASSEMBLY 11-FOLD SYMMETRY RNA-BINDING PROTEIN
Ref.:
REGULATORY FEATURES OF THE TRP OPERON AND THE CRYST STRUCTURE OF THE TRP RNA-BINDING ATTENUATION PROTEI BACILLUS STEAROTHERMOPHILUS. J.MOL.BIOL. V. 289 1003 1999
Ligand
Ligand
Chain:Residue
Validity
Ligand Warnings
Binding Data
NGL Viewer
Molecular Weight (Da)
Formula
SMILES
TRP
A:81;
B:81;
C:81;
D:81;
E:81;
G:81;
G:82;
H:81;
I:81;
J:81;
K:81;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 7.5 uM
204.225
C11 H12 N2 O2
c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id
Resolution
Class
Description
Source
Keywords
1QAW
2.5 Å
NON-ENZYME:
TRANSCRIPT_TRANSLATE
REGULATORY FEATURES OF THE TRP OPERON AND THE CRYSTAL STRUCT TRP RNA-BINDING ATTENUATION PROTEIN FROM BACILLUS STEAROTHE
GEOBACILLUS STEAROTHERMOPHILUS
CIRCULAR ASSEMBLY 11-FOLD SYMMETRY RNA-BINDING PROTEIN
Ref.:
REGULATORY FEATURES OF THE TRP OPERON AND THE CRYST STRUCTURE OF THE TRP RNA-BINDING ATTENUATION PROTEI BACILLUS STEAROTHERMOPHILUS. J.MOL.BIOL. V. 289 1003 1999
Members (5)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
257
families.
1
2ZD0
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
2
2ZCZ
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
3
2EXT
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
4
1QAW
Kd = 7.5 uM
TRP
C11 H12 N2 O2
c1ccc2c(c1....
5
2EXS
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
70% Homology Family (9)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
222
families.
1
2ZD0
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
2
2ZCZ
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
3
2EXT
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
4
1QAW
Kd = 7.5 uM
TRP
C11 H12 N2 O2
c1ccc2c(c1....
5
2EXS
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
6
3ZZL
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
7
3ZZS
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
8
1WAP
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
9
3ZZQ
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
50% Homology Family (9)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
185
families.
1
2ZD0
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
2
2ZCZ
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
3
2EXT
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
4
1QAW
Kd = 7.5 uM
TRP
C11 H12 N2 O2
c1ccc2c(c1....
5
2EXS
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
6
3ZZL
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
7
3ZZS
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
8
1WAP
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
9
3ZZQ
-
TRP
C11 H12 N2 O2
c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TRP; Similar ligands found: 31
No:
Ligand
ECFP6 Tc
MDL keys Tc
1
TRP
1
1
2
DTR
1
1
3
LTN
0.765957
0.777778
4
3IL
0.666667
0.75
5
4Z9
0.666667
0.75
6
TR7
0.666667
0.833333
7
FT6
0.561404
0.888889
8
IAC
0.538462
0.787879
9
TSR
0.529412
0.722222
10
IOP
0.518519
0.764706
11
R59
0.515152
0.72093
12
R38
0.515152
0.72093
13
3IB
0.491228
0.742857
14
ITW
0.491228
0.694444
15
IAD
0.484375
0.738095
16
TRP GLY
0.484375
0.636364
17
TSS
0.471698
0.666667
18
CTE
0.467742
0.888889
19
DTE
0.467742
0.888889
20
IAV
0.461538
0.738095
21
IAG
0.459016
0.738095
22
LYS TRP
0.43662
0.644444
23
78U
0.42623
0.794118
24
TRP LEU PHE VAL GLN ARG ASP SER LYS GLU
0.424658
0.627907
25
0ZN
0.421687
0.673913
26
4OG
0.416667
0.8
27
ASP TRP ASN
0.415584
0.673913
28
GLU ASP ASN ASP TRP ASN
0.415584
0.673913
29
LSW
0.411765
0.680851
30
X95
0.411765
0.680851
31
LYS TRP LYS
0.402597
0.638298
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1qaw.bio1) has
18 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1qaw.bio1) has
18 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1qaw.bio1) has
18 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1qaw.bio1) has
19 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: 12
This union binding pocket(no: 5) in the query (biounit: 1qaw.bio1) has
36 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
1
1QKQ
MAN
0.0004779
0.4709
None
2
2E1A
MSE
0.02349
0.41773
None
3
4BI7
PGA
0.03899
0.40599
None
4
1X8X
TYR
0.03364
0.40572
None
5
4AU8
Z3R
0.03623
0.40403
4.05405
6
3ITJ
CIT
0.02755
0.4113
6.75676
7
2DVZ
GLU
0.02853
0.40944
9.45946
8
1DZK
PRZ
0.02151
0.4053
10.8108
9
4K55
H6P
0.01998
0.43016
16.2162
10
1VR0
3SL
0.02953
0.41244
22.973
11
3H0L
ADP
0.03768
0.40314
22.973
12
2G30
ALA ALA PHE
0.01285
0.41422
37.5
Pocket No.: 6; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1qaw.bio1) has
18 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1qaw.bio1) has
18 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1qaw.bio1) has
18 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1qaw.bio1) has
28 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1qaw.bio1) has
25 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1QAW; Ligand: TRP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1qaw.bio1) has
18 residues
No:
Leader PDB
Ligand
P-value
(APoc)
PS_Score
(APoc)
Sequence Similarity
|
