-->
Receptor
PDB id Resolution Class Description Source Keywords
2E4G 2.08 Å EC: 7.-.-.- REBH WITH BOUND L-TRP LECHEVALIERIA AEROCOLONIGENES TRYPTOPHAN-7-HALOGENASE FLAVIN-BINDING REBECCAMYCIN BIOSYNBIOSYNTHETIC PROTEIN FLAVOPROTEIN
Ref.: CHLORINATION BY A LONG-LIVED INTERMEDIATE IN THE ME OF FLAVIN-DEPENDENT HALOGENASES BIOCHEMISTRY V. 46 1284 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP A:1001;
B:1000;
Valid;
Valid;
none;
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
2E4G 2.08 Å EC: 7.-.-.- REBH WITH BOUND L-TRP LECHEVALIERIA AEROCOLONIGENES TRYPTOPHAN-7-HALOGENASE FLAVIN-BINDING REBECCAMYCIN BIOSYNBIOSYNTHETIC PROTEIN FLAVOPROTEIN
Ref.: CHLORINATION BY A LONG-LIVED INTERMEDIATE IN THE ME OF FLAVIN-DEPENDENT HALOGENASES BIOCHEMISTRY V. 46 1284 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 2E4G - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OA1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2OAL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 2E4G - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2OA1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2OAL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2JKC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2APG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 2AQJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 2AR8 - CTE C11 H11 Cl N2 O2 c1cc2c(c[n....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2WEU - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2WET - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2WES - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2E4G - TRP C11 H12 N2 O2 c1ccc2c(c1....
5 2OA1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 2OAL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 2JKC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 2APG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2AQJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 2AR8 - CTE C11 H11 Cl N2 O2 c1cc2c(c[n....
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 : 2E4G; Ligand: TRP; Similar sites found with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 2e4g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3HXU A5A 1.36054
2 1JG9 GLC 2.54545
3 5ZQY AR6 2.5788
4 4ZCW 4NG 2.72727
5 2Z6I FMN 3.01205
6 2Z6J FMN 3.01205
7 4MYD 164 3.1746
8 2ZA5 2FF 3.26531
9 2PTZ PAH 4.16667
10 4TMC HBA 4.21836
11 4AIA ADK 4.78723
12 1UZD CAP 5.97015
13 3A4V PYR 5.99369
14 3A4V NAD 5.99369
15 1YNH SUO 6.11354
16 1MJH ATP 7.40741
17 3ZJQ NCA 7.69231
18 4JB0 FER 10.8108
19 4JB0 ENO 10.8108
20 1YFS ALA 12
21 5EQ0 5R0 PHE ALA LEU ELY 5R5 16.3636
Pocket No.: 2; Query (leader) PDB : 2E4G; Ligand: TRP; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 2e4g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5AYV KPL 2.91262
2 2Y0E UGA 5.43933
3 4P86 5GP 6.01093
APoc FAQ
Feedback