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Receptor
PDB id Resolution Class Description Source Keywords
1JHG 1.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRP REPRESSOR MUTANT V58I ESCHERICHIA COLI REGULATORY PROTEIN-PEPTIDE COMPLEX DNA BINDING PROTEIN
Ref.: AN ATOMIC VIEW OF THE L-TRYPTOPHAN BINDING SITE OF REPRESSOR. NAT.STRUCT.BIOL. V. 3 986 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:120;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
TRP A:111;
Valid;
none;
submit data
204.225 C11 H12 N2 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JHG 1.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRP REPRESSOR MUTANT V58I ESCHERICHIA COLI REGULATORY PROTEIN-PEPTIDE COMPLEX DNA BINDING PROTEIN
Ref.: AN ATOMIC VIEW OF THE L-TRYPTOPHAN BINDING SITE OF REPRESSOR. NAT.STRUCT.BIOL. V. 3 986 1996
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1WRP - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OZ9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 1JHG - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1ZT9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1WRP - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OZ9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 1JHG - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1ZT9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1WRP - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OZ9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
3 1JHG - TRP C11 H12 N2 O2 c1ccc2c(c1....
4 1ZT9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TRP; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 DTR 1 1
2 TRP 1 1
3 LTN 0.765957 0.777778
4 TR7 0.666667 0.833333
5 3IL 0.666667 0.75
6 4Z9 0.666667 0.75
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 0.476923 0.704545
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 0.432432 0.673913
23 78U 0.42623 0.794118
24 0ZN 0.421687 0.673913
25 4OG 0.416667 0.8
26 X95 0.411765 0.680851
27 LSW 0.411765 0.680851
28 ASP TRP ASN 0.405063 0.673913
29 GLU ASP ASN ASP TRP ASN 0.405063 0.673913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JHG; Ligand: TRP; Similar sites found with APoc: 20
This union binding pocket(no: 1) in the query (biounit: 1jhg.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5N1X 8HH None
2 3F5A SIA GAL NAG None
3 4RW3 TDA None
4 5KOK R9T 2.9703
5 2QE0 NAP 4.9505
6 5L2M 6ZY 6.93069
7 4PZ2 NAD 6.93069
8 4KVL PLM 7.92079
9 3BNK FMN 7.92079
10 1USF NAP 7.92079
11 1USF FMN 7.92079
12 4URS C2E 8.91089
13 4URG C2E 8.91089
14 2VO4 4NM 8.91089
15 2IVF MGD 9.90099
16 3UYK 0CX 9.90099
17 4WGF HX2 9.90099
18 5EYP GDP 15.3846
19 2VWA PTY 23.7624
20 3IWK NAD 28.7129
Pocket No.: 2; Query (leader) PDB : 1JHG; Ligand: TRP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1jhg.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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