Receptor
PDB id Resolution Class Description Source Keywords
2X2W 2 Å EC: 2.7.2.8 ACETYLGLUTAMATE KINASE FROM ESCHERICHIA COLI BOUND TO N-ACET GLUTAMYL-5-PHOSPHATE ESCHERICHIA COLI ARGININE BIOSYNTHESIS TRANSFERASE ATP-BINDING NUCLEOTIDE-AMINO-ACID BIOSYNTHESIS AMINO ACID KINASE FAMILY
Ref.: TWO CRYSTAL STRUCTURES OF ESCHERICHIA COLI N-ACETYL-L-GLUTAMATE KINASE DEMONSTRATE THE CYCLING OPEN AND CLOSED CONFORMATIONS. J. MOL. BIOL. V. 399 476 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1260;
B:1260;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
X2W A:1259;
B:1259;
Valid;
Valid;
none;
none;
submit data
269.146 C7 H12 N O8 P CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GS5 1.5 Å EC: 2.7.2.8 N-ACETYL-L-GLUTAMATE KINASE FROM ESCHERICHIA COLI COMPLEXED WITH ITS SUBSTRATE N-ACETYLGLUTAMATE AND ITS SUBSTRATE A NALOG AMPPNP ESCHERICHIA COLI CARBAMATE KINASE AMINO ACID KINASE ARGININE BIOSYNTHESIS PHOSPHORYL GROUP TRANSFER TRANSFERASE
Ref.: STRUCTURE OF ACETYLGLUTAMATE KINASE, A KEY ENZYME FOR ARGININE BIOSYNTHESIS AND A PROTOTYPE FOR THE AMINO ACID KINASE ENZYME FAMILY, DURING CATALYSIS STRUCTURE V. 10 329 2002
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2X2W - X2W C7 H12 N O8 P CC(=O)N[C@....
2 1GS5 - NLG C7 H11 N O5 CC(=O)N[C@....
3 1OHB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1OH9 - NLG C7 H11 N O5 CC(=O)N[C@....
5 1OHA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2WXB - DTU C4 H10 O2 S2 C([C@H]([C....
7 1GSJ - NLG C7 H11 N O5 CC(=O)N[C@....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2X2W - X2W C7 H12 N O8 P CC(=O)N[C@....
2 1GS5 - NLG C7 H11 N O5 CC(=O)N[C@....
3 1OHB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1OH9 - NLG C7 H11 N O5 CC(=O)N[C@....
5 1OHA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2WXB - DTU C4 H10 O2 S2 C([C@H]([C....
7 1GSJ - NLG C7 H11 N O5 CC(=O)N[C@....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2X2W - X2W C7 H12 N O8 P CC(=O)N[C@....
2 1GS5 - NLG C7 H11 N O5 CC(=O)N[C@....
3 1OHB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1OH9 - NLG C7 H11 N O5 CC(=O)N[C@....
5 1OHA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2WXB - DTU C4 H10 O2 S2 C([C@H]([C....
7 1GSJ - NLG C7 H11 N O5 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: X2W; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 X2W 1 1
2 NLG 0.547619 0.682927
3 NLQ 0.522727 0.636364
4 RGP 0.489362 0.857143
5 PA9 0.410714 0.769231
Similar Ligands (3D)
Ligand no: 1; Ligand: X2W; Similar ligands found: 7
No: Ligand Similarity coefficient
1 6PR 0.8933
2 PCX 0.8876
3 PAL 0.8817
4 SN0 0.8761
5 AAG 0.8747
6 OSP 0.8610
7 0OP 0.8546
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GS5; Ligand: ANP; 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: 1gs5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1GS5; Ligand: ANP; 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: 1gs5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1GS5; 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: 1gs5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1GS5; 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: 1gs5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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