Receptor
PDB id Resolution Class Description Source Keywords
3GL0 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DICAMBA MONOOXYGENASE BOUND TO 3,6 DICHLOROSALICYLIC ACID (DCSA) STENOTROPHOMONAS MALTOPHILIA RIESKE PROTEIN NON-HEME MONONUCLEAR IRON OXYGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF DICAMBA MONOOXYGENASE: A RIESKE NONHEME OXYGENASE THAT CATALYZES OXIDATIVE DEMETHYLATION. J.MOL.BIOL. V. 392 498 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:350;
A:351;
A:352;
B:350;
B:351;
B:352;
B:353;
C:350;
C:351;
C:352;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FE A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
FES A:500;
B:500;
C:500;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
HXX A:600;
B:700;
Valid;
Valid;
none;
none;
submit data
207.011 C7 H4 Cl2 O3 c1cc(...
OXY A:700;
B:600;
Invalid;
Invalid;
none;
none;
submit data
31.999 O2 O=O
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GL0 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DICAMBA MONOOXYGENASE BOUND TO 3,6 DICHLOROSALICYLIC ACID (DCSA) STENOTROPHOMONAS MALTOPHILIA RIESKE PROTEIN NON-HEME MONONUCLEAR IRON OXYGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF DICAMBA MONOOXYGENASE: A RIESKE NONHEME OXYGENASE THAT CATALYZES OXIDATIVE DEMETHYLATION. J.MOL.BIOL. V. 392 498 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 3GL2 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
2 3GOB - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
3 3GL0 - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
4 3GB4 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
5 3GTS - D3M C8 H6 Cl2 O3 COc1c(ccc(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 3GL2 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
2 3GOB - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
3 3GL0 - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
4 3GB4 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
5 3GTS - D3M C8 H6 Cl2 O3 COc1c(ccc(....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 3GL2 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
2 3GOB - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
3 3GL0 - HXX C7 H4 Cl2 O3 c1cc(c(c(c....
4 3GB4 - D3M C8 H6 Cl2 O3 COc1c(ccc(....
5 3GTS - D3M C8 H6 Cl2 O3 COc1c(ccc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HXX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HXX 1 1
2 D3M 0.447368 0.827586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GL0; Ligand: HXX; 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: 3gl0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GL0; Ligand: HXX; 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: 3gl0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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