Receptor
PDB id Resolution Class Description Source Keywords
5FR0 1.75 Å EC: 7.-.-.- THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDROLASE F ROM CLOSTRIDIUM PERFRINGENS CLOSTRIDIUM PERFRINGENS HYDROLASE GLYCOSIDE HYDROLASE GH123 GLYCOSPHINGOLIPID GANGLIOSIDE GLOBOSIDE SUBSTRATE-ASSISTED CATALYSIS.
Ref.: THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDRO FROM CLOSTRIDIUM PERFRINGENS J.MOL.BIOL. V. 428 3253 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:1586;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
SIZ A:1585;
Valid;
none;
submit data
257.189 C8 H13 F2 N O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FR0 1.75 Å EC: 7.-.-.- THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDROLASE F ROM CLOSTRIDIUM PERFRINGENS CLOSTRIDIUM PERFRINGENS HYDROLASE GLYCOSIDE HYDROLASE GH123 GLYCOSPHINGOLIPID GANGLIOSIDE GLOBOSIDE SUBSTRATE-ASSISTED CATALYSIS.
Ref.: THE DETAILS OF GLYCOLIPID GLYCAN HYDROLYSIS BY THE STRUCTURAL ANALYSIS OF A FAMILY 123 GLYCOSIDE HYDRO FROM CLOSTRIDIUM PERFRINGENS J.MOL.BIOL. V. 428 3253 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
2 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
3 5FQG - NGA GAL n/a n/a
4 5FQH - NGA GAL BGC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
2 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
3 5FQG - NGA GAL n/a n/a
4 5FQH - NGA GAL BGC n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5L7U - NGA C8 H15 N O6 CC(=O)N[C@....
2 5L7V Kd = 9.6 nM GNL C8 H13 N O4 S CC1=N[C@@H....
3 5FQF - NGA C8 H15 N O6 CC(=O)N[C@....
4 5FR0 - SIZ C8 H13 F2 N O6 C([C@@H]1[....
5 5FQG - NGA GAL n/a n/a
6 5FQH - NGA GAL BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIZ; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 SIZ 1 1
2 NAG 0.630435 0.906977
3 A2G 0.630435 0.906977
4 BM3 0.630435 0.906977
5 HSQ 0.630435 0.906977
6 NDG 0.630435 0.906977
7 NGA 0.630435 0.906977
8 BGN 0.576923 0.8125
9 YX1 0.537037 0.603175
10 STZ 0.527273 0.603175
11 BG8 0.491525 0.866667
12 4V5 0.453125 0.795918
13 4UZ 0.446154 0.77551
14 14T 0.428571 0.857143
15 GAL NGA A2G 0.426471 0.75
16 MQG 0.425926 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FR0; Ligand: SIZ; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 5fr0.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YKD CMP 0.01042 0.40502 2.26131
2 4ZW3 4S9 0.02799 0.40528 2.29508
3 2PWG CTS 0.01303 0.40233 3.77698
4 4J25 OGA 0.01276 0.40847 10.0437
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