Receptor
PDB id Resolution Class Description Source Keywords
6MB5 2.2 Å NON-ENZYME: OTHER AAC-IIIB BINARY WITH NEOMYCIN 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
NMY A:301;
 Valid;
 none;
 submit data
614.644 C23 H46 N6 O13 C1[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: NMY; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 NMY 1 1
2 PAR 0.952381 1
3 RIO 0.784615 1
4 LIV 0.590909 0.979592
5 OZY 0.555556 0.705882
6 XXX 0.550725 0.875
7 CK0 0.526316 0.958333
8 9CS 0.519481 0.958333
9 7QM 0.487805 0.92
10 B31 0.472527 0.90566
11 KNC 0.4125 0.9375
12 CJX 0.402597 0.958333
Similar Ligands (3D)
Ligand no: 1; Ligand: NMY; Similar ligands found: 0
No: Ligand Similarity coefficient
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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