Receptor
PDB id Resolution Class Description Source Keywords
6MB4 2.3 Å NON-ENZYME: OTHER BINARY (SISOMICIN) STRUCTURE OF AAC-IIIB PSEUDOMONAS AERUGINOSA ACETYLTRANSFERASE PROMISCUITY GNAT ANTIBIOTIC RESISTANCEANTIBIOTIC TRANSFERASE-ANTIBIOTIC COMPLEX
Ref.: ENCODING OF PROMISCUITY IN AN AMINOGLYCOSIDE ACETYLTRANSFERASE. J. MED. CHEM. V. 61 10218 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SIS B:301;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 submit data
447.526 C19 H37 N5 O7 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MB9 2.5 Å NON-ENZYME: OTHER TERNARY (NEOMYCIN/COA) STRUCTURE OF AAC-IIIB PSEUDOMONAS AERUGINOSA ACETYLTRANSFERASE PROMISCUITY GNAT ANTIBIOTIC RESISTANCEANTIBIOTIC TRANSFERASE-ANTIBIOTIC COMPLEX
Ref.: ENCODING OF PROMISCUITY IN AN AMINOGLYCOSIDE ACETYLTRANSFERASE. J. MED. CHEM. V. 61 10218 2018
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6MB6 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 6MB4 - SIS C19 H37 N5 O7 C[C@@]1(CO....
3 6MB5 - NMY C23 H46 N6 O13 C1[C@H]([C....
4 6MB9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 6MB7 - PAR C23 H45 N5 O14 C1[C@H]([C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6MB6 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 6MB4 - SIS C19 H37 N5 O7 C[C@@]1(CO....
3 6MB5 - NMY C23 H46 N6 O13 C1[C@H]([C....
4 6MB9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 6MB7 - PAR C23 H45 N5 O14 C1[C@H]([C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6MB6 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 6MB4 - SIS C19 H37 N5 O7 C[C@@]1(CO....
3 6MB5 - NMY C23 H46 N6 O13 C1[C@H]([C....
4 6MB9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 6MB7 - PAR C23 H45 N5 O14 C1[C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SIS; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 SIS 1 1
2 DVM 0.759036 0.916667
3 827 0.576471 0.910714
4 LLL 0.576471 0.946429
5 GET 0.563218 0.859649
6 51G 0.545455 0.844828
7 EDS 0.522936 0.873016
Similar Ligands (3D)
Ligand no: 1; Ligand: SIS; Similar ligands found: 4
No: Ligand Similarity coefficient
1 KAN 0.8958
2 KNC 0.8828
3 9CS 0.8825
4 CK0 0.8806
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MB9; Ligand: COA; 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: 6mb9.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6MB9; Ligand: NMY; 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: 6mb9.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6MB9; Ligand: COA; 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: 6mb9.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6MB9; Ligand: NMY; 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: 6mb9.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6MB9; Ligand: COA; 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: 6mb9.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6MB9; Ligand: NMY; 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: 6mb9.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6MB9; Ligand: COA; 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: 6mb9.bio3) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6MB9; Ligand: NMY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6mb9.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6MB9; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6mb9.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6MB9; Ligand: NMY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6mb9.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 6MB9; Ligand: NMY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6mb9.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6MB9; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 6mb9.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 6MB9; Ligand: NMY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 6mb9.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 6MB9; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 6mb9.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 6MB9; Ligand: NMY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 6mb9.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 6MB9; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 6mb9.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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