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
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