Receptor
PDB id Resolution Class Description Source Keywords
5z44 2.46 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PRENYLTRANSFERASE AMBP1 COMPLEXED WITH FISCHERELLA AMBIGUA UTEX 1903 PRENYLTRANSFERASE AMBP1 INDOLE TRANSFERASE
Ref.: MOLECULAR INSIGHT INTO THE MG2+-DEPENDENT ALLOSTERI OF INDOLE PRENYLATION BY AROMATIC PRENYLTRANSFERASE ANGEW. CHEM. INT. ED. ENGL. V. 57 6810 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GST B:401;
A:401;
 Invalid;
Valid;
 none;
none;
 submit data
330.275 C10 H20 O6 P2 S CC(=C...
MG A:402;
B:402;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5Z46 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PRENYLTRANSFERASE AMBP1 PH8 COMPLEXED W AND CIS-INDOLYL VINYL ISONITRILE FISCHERELLA AMBIGUA UTEX 1903 PRENYLTRANSFERASE AMBP1 INDOLE TRANSFERASE
Ref.: MOLECULAR INSIGHT INTO THE MG2+-DEPENDENT ALLOSTERI OF INDOLE PRENYLATION BY AROMATIC PRENYLTRANSFERASE ANGEW. CHEM. INT. ED. ENGL. V. 57 6810 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5Z44 - GST C10 H20 O6 P2 S CC(=CCCC(=....
2 5Z46 - GST C10 H20 O6 P2 S CC(=CCCC(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5Z44 - GST C10 H20 O6 P2 S CC(=CCCC(=....
2 5Z46 - GST C10 H20 O6 P2 S CC(=CCCC(=....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 5YNW - DST C5 H12 O6 P2 S CC(=CCS[P@....
2 5YNU - DMA C5 H12 O7 P2 CC(=CCO[P@....
3 5Y84 - DST C5 H12 O6 P2 S CC(=CCS[P@....
4 5YNV - DST C5 H12 O6 P2 S CC(=CCS[P@....
5 5Y7C - 8O0 C21 H23 Cl N2 C[C@@]1([C....
6 5YNT - DMA C5 H12 O7 P2 CC(=CCO[P@....
7 5Y72 - DST C5 H12 O6 P2 S CC(=CCS[P@....
8 5Z44 - GST C10 H20 O6 P2 S CC(=CCCC(=....
9 5Z46 - GST C10 H20 O6 P2 S CC(=CCCC(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GST; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 GST 1 1
2 FPS 0.911111 0.975
3 GGS 0.911111 0.975
4 AG8 0.631579 0.795918
5 DST 0.613636 0.871795
6 GPP 0.518519 0.878049
7 HZZ 0.5 0.804878
8 GRG 0.482759 0.857143
9 FPP 0.482759 0.857143
10 OTP 0.482759 0.837209
11 ZTP 0.482759 0.837209
12 VTP 0.482759 0.837209
13 0K3 0.471698 0.767442
14 DSL 0.471698 0.767442
15 FJP 0.471698 0.785714
16 FFF 0.4375 0.8
17 749 0.433962 0.85
18 2CF 0.415385 0.8
19 FPF 0.415385 0.8
20 FGG 0.409091 0.8
21 FHP 0.403509 0.681818
22 3E9 0.402985 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: GST; Similar ligands found: 1
No: Ligand Similarity coefficient
1 0FV 0.9384
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5Z46; Ligand: 8XL; 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: 5z46.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5Z46; Ligand: GST; 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: 5z46.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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