Receptor
PDB id Resolution Class Description Source Keywords
5YBL 2.11 Å EC: 1.14.11.- FE(II)/(ALPHA)KETOGLUTARATE-DEPENDENT DIOXYGENASE AUSE EMERICELLA NIDULANS ALPHA-KEGOGLUTARATE-DEPENDENT DIOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURE FUNCTION AND ENGINEERING OF MULTIFUNCTION NON-HEME IRON DEPENDENT OXYGENASES IN FUNGAL MEROTE BIOSYNTHESIS. NAT COMMUN V. 9 104 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN C:301;
B:301;
D:301;
A:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
AKG C:302;
A:302;
Valid;
Valid;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YBL 2.11 Å EC: 1.14.11.- FE(II)/(ALPHA)KETOGLUTARATE-DEPENDENT DIOXYGENASE AUSE EMERICELLA NIDULANS ALPHA-KEGOGLUTARATE-DEPENDENT DIOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURE FUNCTION AND ENGINEERING OF MULTIFUNCTION NON-HEME IRON DEPENDENT OXYGENASES IN FUNGAL MEROTE BIOSYNTHESIS. NAT COMMUN V. 9 104 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 5YBL - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5YBT - 8TC C26 H38 O6 C[C@@]12CC....
2 5YBN - AKG C5 H6 O5 C(CC(=O)O)....
3 5YBP - 8SX C26 H36 O7 C[C@@]12CC....
4 5YBQ - 8T0 C26 H34 O7 C[C@]12CC[....
5 5YBR - 8T9 C26 H32 O7 CC1=C2C[C@....
6 5YBO - 8SX C26 H36 O7 C[C@@]12CC....
7 5YBS - 8TC C26 H38 O6 C[C@@]12CC....
8 5YBL - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5M0T - AKG C5 H6 O5 C(CC(=O)O)....
2 5YBT - 8TC C26 H38 O6 C[C@@]12CC....
3 5YBN - AKG C5 H6 O5 C(CC(=O)O)....
4 5YBP - 8SX C26 H36 O7 C[C@@]12CC....
5 5YBQ - 8T0 C26 H34 O7 C[C@]12CC[....
6 5YBR - 8T9 C26 H32 O7 CC1=C2C[C@....
7 5YBO - 8SX C26 H36 O7 C[C@@]12CC....
8 5YBS - 8TC C26 H38 O6 C[C@@]12CC....
9 5ZM3 - AKG C5 H6 O5 C(CC(=O)O)....
10 5ZM4 - AKG C5 H6 O5 C(CC(=O)O)....
11 4NAO - AKG C5 H6 O5 C(CC(=O)O)....
12 5OA4 - 58D C18 H18 N2 O3 CN1[C@H](C....
13 5DAV - 58J C18 H16 N2 O3 CN1/C(=Cc2....
14 5Y7T - AKG C5 H6 O5 C(CC(=O)O)....
15 5DAP - AKG C5 H6 O5 C(CC(=O)O)....
16 5YBL - AKG C5 H6 O5 C(CC(=O)O)....
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 : 5YBL; Ligand: AKG; 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: 5ybl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5YBL; Ligand: AKG; 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: 5ybl.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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