Receptor
PDB id Resolution Class Description Source Keywords
2BKV 1.5 Å EC: 3.5.99.6 STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE-6- PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY BACILLUS SUBTILIS HYDROLASE SUBSTRATE INHIBITION FRUCTOSE-6-PHOSPHATE
Ref.: STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE 6-PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY J.BIOL.CHEM. V. 280 19649 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PGA A:1242;
B:1243;
Valid;
Valid;
none;
none;
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156.031 C2 H5 O6 P C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BKX 1.4 Å EC: 3.5.99.6 STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE-6- PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY BACILLUS SUBTILIS HYDROLASE SUBSTRATE INHIBITION FRUCTOSE-6-PHOSPHATE
Ref.: STRUCTURE AND KINETICS OF A MONOMERIC GLUCOSAMINE 6-PHOSPHATE DEAMINASE: MISSING LINK OF THE NAGB SUPERFAMILY? J.BIOL.CHEM. V. 280 19649 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BKX - F6R C6 H13 O9 P C([C@H]([C....
2 2BKV - PGA C2 H5 O6 P C(C(=O)O)O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BKX - F6R C6 H13 O9 P C([C@H]([C....
2 2BKV - PGA C2 H5 O6 P C(C(=O)O)O....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BKX - F6R C6 H13 O9 P C([C@H]([C....
2 2BKV - PGA C2 H5 O6 P C(C(=O)O)O....
3 1HOR - AGP C6 H16 N O8 P C([C@@H]([....
4 1FRZ - 16G C8 H16 N O9 P CC(=O)N[C@....
5 1FQO - F6R C6 H13 O9 P C([C@H]([C....
6 1HOT - 16G C8 H16 N O9 P CC(=O)N[C@....
7 1FS5 - TLA C4 H6 O6 [C@@H]([C@....
8 1NE7 - AGP C6 H16 N O8 P C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGA; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 PGA 1 1
2 HPV 0.555556 0.903226
3 13P 0.5 0.818182
4 PGH 0.482759 0.651163
5 3PG 0.433333 0.90625
6 3PP 0.423077 0.866667
7 PAE 0.416667 0.806452
8 EFS 0.416667 0.741935
9 SEP 0.40625 0.710526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BKX; Ligand: F6R; 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: 2bkx.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BKX; Ligand: F6R; 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: 2bkx.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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