Receptor
PDB id Resolution Class Description Source Keywords
1OS7 2.5 Å EC: 1.14.11.17 CRYSTAL STRUCTURE OF TAUD WITH IRON, ALPHA-KETOGLUTARATE AND BOUND AT PH 7.5 ESCHERICHIA COLI IRON DI-OXYGENASE TAURINE TAUD ALPHA-KETOGLUTARATE OXIDO
Ref.: SUBSTRATE-INDUCED CONFORMATIONAL CHANGES IN ESCHERI TAURINE/ALPHA-KETOGLUTARATE DIOXYGENASE AND INSIGHT OLIGOMERIC STRUCTURE BIOCHEMISTRY V. 42 5547 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:501;
B:502;
C:503;
D:504;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE2 A:302;
B:302;
C:302;
D:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
TAU A:401;
B:402;
C:403;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
125.147 C2 H7 N O3 S C(CS(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OS7 2.5 Å EC: 1.14.11.17 CRYSTAL STRUCTURE OF TAUD WITH IRON, ALPHA-KETOGLUTARATE AND BOUND AT PH 7.5 ESCHERICHIA COLI IRON DI-OXYGENASE TAURINE TAUD ALPHA-KETOGLUTARATE OXIDO
Ref.: SUBSTRATE-INDUCED CONFORMATIONAL CHANGES IN ESCHERI TAURINE/ALPHA-KETOGLUTARATE DIOXYGENASE AND INSIGHT OLIGOMERIC STRUCTURE BIOCHEMISTRY V. 42 5547 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OS7 - TAU C2 H7 N O3 S C(CS(=O)(=....
2 1OTJ - TAU C2 H7 N O3 S C(CS(=O)(=....
3 1GY9 - TAU C2 H7 N O3 S C(CS(=O)(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OS7 - TAU C2 H7 N O3 S C(CS(=O)(=....
2 1OTJ - TAU C2 H7 N O3 S C(CS(=O)(=....
3 1GY9 - TAU C2 H7 N O3 S C(CS(=O)(=....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OS7 - TAU C2 H7 N O3 S C(CS(=O)(=....
2 1OTJ - TAU C2 H7 N O3 S C(CS(=O)(=....
3 1GY9 - TAU C2 H7 N O3 S C(CS(=O)(=....
4 1OII - AKG C5 H6 O5 C(CC(=O)O)....
5 1OIK - C26 C8 H18 O4 S CCCC[C@@H]....
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
Ligand no: 2; Ligand: TAU; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 TAU 1 1
2 A20 0.631579 0.883721
3 9SB 0.473684 0.697674
4 COM 0.473684 0.804878
5 OCS 0.4 0.770833
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OS7; 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: 1os7.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OS7; Ligand: TAU; 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: 1os7.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OS7; 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: 3) in the query (biounit: 1os7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1OS7; 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: 4) in the query (biounit: 1os7.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1OS7; Ligand: TAU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1os7.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1OS7; Ligand: TAU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1os7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1OS7; 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: 7) in the query (biounit: 1os7.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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