Receptor
PDB id Resolution Class Description Source Keywords
4GNC 1.75 Å EC: 3.1.1.17 HUMAN SMP30/GNL-1,5-AG COMPLEX HOMO SAPIENS BETA PROPELLER STRUCTURE HYDROLASE
Ref.: STRUCTURAL BASIS OF THE GAMMA-LACTONE-RING FORMATIO ASCORBIC ACID BIOSYNTHESIS BY THE SENESCENCE MARKER PROTEIN-30/GLUCONOLACTONASE PLOS ONE V. 8 53706 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASO A:302;
A:303;
B:302;
B:304;
B:303;
Invalid;
Valid;
Valid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
164.156 C6 H12 O5 C1[C@...
CA A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GNC 1.75 Å EC: 3.1.1.17 HUMAN SMP30/GNL-1,5-AG COMPLEX HOMO SAPIENS BETA PROPELLER STRUCTURE HYDROLASE
Ref.: STRUCTURAL BASIS OF THE GAMMA-LACTONE-RING FORMATIO ASCORBIC ACID BIOSYNTHESIS BY THE SENESCENCE MARKER PROTEIN-30/GLUCONOLACTONASE PLOS ONE V. 8 53706 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GNC - ASO C6 H12 O5 C1[C@@H]([....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4GNC - ASO C6 H12 O5 C1[C@@H]([....
2 4GN8 - ASO C6 H12 O5 C1[C@@H]([....
3 4GNA - XYL C5 H12 O5 C([C@@H](C....
4 4GN9 - BGC C6 H12 O6 C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4GNC - ASO C6 H12 O5 C1[C@@H]([....
2 4GN8 - ASO C6 H12 O5 C1[C@@H]([....
3 4GNA - XYL C5 H12 O5 C([C@@H](C....
4 4GN9 - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASO; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 ASO 1 1
2 R1X 0.692308 0.848485
3 Z6J 0.4 0.757576
4 AHR 0.4 0.757576
5 32O 0.4 0.757576
6 RIB 0.4 0.757576
7 FUB 0.4 0.757576
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GNC; Ligand: ASO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4gnc.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4GNC; Ligand: ASO; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 4gnc.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FXD DR7 0.01719 0.42527 None
2 3FV3 IVA VAL VAL STA ALA STA 0.01435 0.42235 2.00669
3 1YOE RIB 0.002103 0.40899 2.00669
4 5AYE BMA BMA 0.01022 0.40922 2.34114
5 3IU9 T07 0.02275 0.42284 3.47222
6 4CVC PQQ 0.01885 0.4031 5.35117
7 5VFC 9BA 0.04107 0.40402 7.02341
8 1U0A BGC BGC BGC BGC 0.01415 0.40886 11.215
9 2GVV DI9 0.0005359 0.443 18.7291
10 3GM5 CIT 0.01058 0.40142 23.8994
Pocket No.: 3; Query (leader) PDB : 4GNC; Ligand: ASO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4gnc.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4GNC; Ligand: ASO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4gnc.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4GNC; Ligand: ASO; Similar sites found: 2
This union binding pocket(no: 5) in the query (biounit: 4gnc.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5NE5 KIF 0.02078 0.41027 1.67224
2 5JNN 6LM 0.02077 0.41573 5.78947
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