Receptor
PDB id Resolution Class Description Source Keywords
1W6F 2.1 Å EC: 2.3.1.5 ARYLAMINE N-ACETYLTRANSFERASE FROM MYCOBACTERIUM SMEGMATIS WITH THE ANTI-TUBERCULAR DRUG ISONIAZID BOUND IN THE A CTIVE SITE. MYCOBACTERIUM SMEGMATIS NAT TUBERCULOSIS ACETYLTRANSFERASE TRANSFERASE
Ref.: BINDING OF THE ANTI-TUBERCULAR DRUG ISONIAZID TO THE ARYLAMINE N-ACETYLTRANSFERASE PROTEIN FROM MYCOBACTERIUM SMEGMATIS PROTEIN SCI. V. 14 775 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ISZ A:1276;
B:1276;
C:1276;
D:1276;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
135.123 C6 H5 N3 O [H]/N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W6F 2.1 Å EC: 2.3.1.5 ARYLAMINE N-ACETYLTRANSFERASE FROM MYCOBACTERIUM SMEGMATIS WITH THE ANTI-TUBERCULAR DRUG ISONIAZID BOUND IN THE A CTIVE SITE. MYCOBACTERIUM SMEGMATIS NAT TUBERCULOSIS ACETYLTRANSFERASE TRANSFERASE
Ref.: BINDING OF THE ANTI-TUBERCULAR DRUG ISONIAZID TO THE ARYLAMINE N-ACETYLTRANSFERASE PROTEIN FROM MYCOBACTERIUM SMEGMATIS PROTEIN SCI. V. 14 775 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W6F - ISZ C6 H5 N3 O [H]/N=N/C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3LTW - HLZ C8 H8 N4 c1ccc2c(c1....
2 1W6F - ISZ C6 H5 N3 O [H]/N=N/C(....
50% 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 4NV7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3LTW - HLZ C8 H8 N4 c1ccc2c(c1....
3 1W6F - ISZ C6 H5 N3 O [H]/N=N/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ISZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ISZ 1 1
2 NIZ 0.405405 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W6F; Ligand: ISZ; 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: 1w6f.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1W6F; Ligand: ISZ; 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: 1w6f.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W6F; Ligand: ISZ; 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: 1w6f.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W6F; Ligand: ISZ; 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: 1w6f.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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