Receptor
PDB id Resolution Class Description Source Keywords
1GP4 2.1 Å EC: 1.14.11.19 ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA (SELENOMETHIONINE SUBSTITUTED) ARABIDOPSIS THALIANA OXYGENASE 2-OXOGLUTARATE DEPENDENT DIOXYGENASE FLAVONOID BIOSYNTHESIS OXIDOREDUCTASE
Ref.: STRUCTURE AND MECHANISM OF ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA. STRUCTURE V. 10 93 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:370;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
MES A:376;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GP6 1.75 Å EC: 1.14.11.19 ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED WITH TRANS-DIHYDROQUERCETIN (WITH 30 MIN EXPOSURE TO O2) ARABIDOPSIS THALIANA OXIDOREDUCTASE OXYGENASE 2-OXOGLUTARATE DEPENDENT DIOXYGENFLAVONOID BIOSYNTHESIS
Ref.: STRUCTURE AND MECHANISM OF ANTHOCYANIDIN SYNTHASE F ARABIDOPSIS THALIANA. STRUCTURE V. 10 93 2002
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GP4 - AKG C5 H6 O5 C(CC(=O)O)....
2 1GP6 - QUE C15 H10 O7 c1cc(c(cc1....
3 1GP5 - DH2 C15 H12 O7 c1cc(c(cc1....
4 2BRT - NAR C15 H12 O5 c1cc(ccc1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GP4 - AKG C5 H6 O5 C(CC(=O)O)....
2 1GP6 - QUE C15 H10 O7 c1cc(c(cc1....
3 1GP5 - DH2 C15 H12 O7 c1cc(c(cc1....
4 2BRT - NAR C15 H12 O5 c1cc(ccc1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GP4 - AKG C5 H6 O5 C(CC(=O)O)....
2 1GP6 - QUE C15 H10 O7 c1cc(c(cc1....
3 1GP5 - DH2 C15 H12 O7 c1cc(c(cc1....
4 2BRT - NAR C15 H12 O5 c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GP6; Ligand: QUE; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 1gp6.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5C3R HMU 38.7755
2 5C3R AKG 38.7755
3 5C3R AKG 38.7755
4 5C3R HMU 38.7755
5 5C3R HMU 38.7755
6 5C3R AKG 38.7755
Pocket No.: 2; Query (leader) PDB : 1GP6; Ligand: DH2; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 1gp6.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5C3R AKG 38.7755
2 5C3R HMU 38.7755
3 5C3R AKG 38.7755
4 5C3R HMU 38.7755
5 5C3R HMU 38.7755
6 5C3R AKG 38.7755
Pocket No.: 3; Query (leader) PDB : 1GP6; Ligand: SIN; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 1gp6.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5C3R AKG 38.7755
2 5C3R HMU 38.7755
3 5C3R AKG 38.7755
4 5C3R HMU 38.7755
5 5C3R HMU 38.7755
6 5C3R AKG 38.7755
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