Receptor
PDB id Resolution Class Description Source Keywords
6vl0 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE N-PRENYLTRANSFERASE DABA IN COMPLEX AND MN2+ PSEUDO-NITZSCHIA MULTISERIES PRENYLTRANSFERASE TERPENE CYCLASE TRANSFERASE
Ref.: ALGAL NEUROTOXIN BIOSYNTHESIS REPURPOSES THE TERPEN STRUCTURAL FOLD INTO ANN-PRENYLTRANSFERASE. PROC.NATL.ACAD.SCI.USA V. 117 12799 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
 Part of Protein;
 none;
 submit data
54.938 Mn [Mn+2...
MG A:503;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
GST A:502;
 Valid;
 none;
 submit data
330.275 C10 H20 O6 P2 S CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6VL1 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE N-PRENYLTRANSFERASE DABA IN COMPLEX AND MG2+ PSEUDO-NITZSCHIA MULTISERIES PRENYLTRANSFERASE TERPENE CYCLASE TRANSFERASE
Ref.: ALGAL NEUROTOXIN BIOSYNTHESIS REPURPOSES THE TERPEN STRUCTURAL FOLD INTO ANN-PRENYLTRANSFERASE. PROC.NATL.ACAD.SCI.USA V. 117 12799 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6VL1 - R1V C15 H25 N O4 CC(=CCC/C(....
2 6VL0 - GST C10 H20 O6 P2 S CC(=CCCC(=....
3 6VKZ - GST C10 H20 O6 P2 S CC(=CCCC(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6VL1 - R1V C15 H25 N O4 CC(=CCC/C(....
2 6VL0 - GST C10 H20 O6 P2 S CC(=CCCC(=....
3 6VKZ - GST C10 H20 O6 P2 S CC(=CCCC(=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6VL1 - R1V C15 H25 N O4 CC(=CCC/C(....
2 6VL0 - GST C10 H20 O6 P2 S CC(=CCCC(=....
3 6VKZ - 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 : 6VL1; Ligand: R1V; 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: 6vl1.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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