Receptor
PDB id Resolution Class Description Source Keywords
4K30 2.1 Å EC: 2.3.1.1 STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN OF HUMAN N-ACETY SYNTHASE HOMO SAPIENS GCN5-RALATED N-ACETYLTRANSFERASE FOLD SYNTHASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN N-ACETYL-L-GLUTAMATE SYNTHASE IN COMPLEX WITH N-ACETYL-L-GLUTAMATE PROVIDES INSIGHTS INTO ITS CAT AND REGULATORY MECHANISMS. PLOS ONE V. 8 70369 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NLG B:600;
Y:600;
A:600;
X:600;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
189.166 C7 H11 N O5 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K30 2.1 Å EC: 2.3.1.1 STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN OF HUMAN N-ACETY SYNTHASE HOMO SAPIENS GCN5-RALATED N-ACETYLTRANSFERASE FOLD SYNTHASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE N-ACETYLTRANSFERASE DOMAIN N-ACETYL-L-GLUTAMATE SYNTHASE IN COMPLEX WITH N-ACETYL-L-GLUTAMATE PROVIDES INSIGHTS INTO ITS CAT AND REGULATORY MECHANISMS. PLOS ONE V. 8 70369 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4K30 - NLG C7 H11 N O5 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4K30 - NLG C7 H11 N O5 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4K30 - NLG C7 H11 N O5 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NLG; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 NLG 1 1
2 NLQ 0.69697 0.903226
3 AN0 0.606061 0.83871
4 X2W 0.547619 0.682927
5 AME 0.540541 0.722222
6 AOR 0.540541 0.764706
7 SAC 0.53125 0.757576
8 SC2 0.515152 0.75
9 MUD 0.511628 0.65
10 BC8 0.5 0.722222
11 G01 0.487179 0.634146
12 16E 0.477273 0.8125
13 OLN 0.47619 0.692308
14 NIG 0.473684 0.69697
15 AAG 0.454545 0.634146
16 8DM 0.446809 0.702703
17 AE5 0.428571 0.605263
18 SN0 0.428571 0.84375
19 3O3 0.418605 0.605263
20 QRG 0.408163 0.682927
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4K30; Ligand: NLG; 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: 4k30.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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