Receptor
PDB id Resolution Class Description Source Keywords
2NW9 1.8 Å EC: 1.13.11.11 CRYSTAL STRUCTURE OF TRYPTOPHAN 2,3-DIOXYGENASE (TDO) FROM X CAMPESTRIS IN COMPLEX WITH FERROUS HEME AND 6-FLUORO-TRYPTON ORTHEAST STRUCTURAL GENOMICS TARGET XCR13 XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS ALL ALPHA-HELICAL PROTEIN STRUCTURAL GENOMICS PSI-2 PROTESTRUCTURE INITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTNESG OXIDOREDUCTASE
Ref.: MOLECULAR INSIGHTS INTO SUBSTRATE RECOGNITION AND C BY TRYPTOPHAN 2,3-DIOXYGENASE. PROC.NATL.ACAD.SCI.USA V. 104 473 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FT6 A:307;
Valid;
none;
submit data
222.216 C11 H11 F N2 O2 c1cc2...
HEM A:401;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
MN B:307;
B:308;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2NW9 1.8 Å EC: 1.13.11.11 CRYSTAL STRUCTURE OF TRYPTOPHAN 2,3-DIOXYGENASE (TDO) FROM X CAMPESTRIS IN COMPLEX WITH FERROUS HEME AND 6-FLUORO-TRYPTON ORTHEAST STRUCTURAL GENOMICS TARGET XCR13 XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS ALL ALPHA-HELICAL PROTEIN STRUCTURAL GENOMICS PSI-2 PROTESTRUCTURE INITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTNESG OXIDOREDUCTASE
Ref.: MOLECULAR INSIGHTS INTO SUBSTRATE RECOGNITION AND C BY TRYPTOPHAN 2,3-DIOXYGENASE. PROC.NATL.ACAD.SCI.USA V. 104 473 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3BK9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2NW9 - FT6 C11 H11 F N2 O2 c1cc2c(cc1....
3 3E08 - TRP C11 H12 N2 O2 c1ccc2c(c1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3BK9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2NW9 - FT6 C11 H11 F N2 O2 c1cc2c(cc1....
3 3E08 - TRP C11 H12 N2 O2 c1ccc2c(c1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3BK9 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2NW9 - FT6 C11 H11 F N2 O2 c1cc2c(cc1....
3 3E08 - TRP C11 H12 N2 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FT6; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 FT6 1 1
2 DTR 0.561404 0.888889
3 TRP 0.561404 0.888889
4 LTN 0.409836 0.7
5 DTE 0.402985 0.945946
6 CTE 0.402985 0.945946
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2NW9; Ligand: FT6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2nw9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2NW9; Ligand: FT6; 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: 2nw9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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