Receptor
PDB id Resolution Class Description Source Keywords
3DSV 2.1 Å EC: 2.5.1.60 CRYSTAL STRUCTURE OF RABGGTASE(DELTA LRR; DELTA IG)IN COMPLE MONO-PRENYLATED PEPTIDE SER-CYS-SER-CYS(GG) DERIVATED FROM RATTUS NORVEGICUS PROTEIN PRENYLATION METAL-BINDING PRENYLTRANSFERASE TRANSZINC PHOSPHOPROTEIN
Ref.: STRUCTURES OF RABGGTASE-SUBSTRATE/PRODUCT COMPLEXES INSIGHTS INTO THE EVOLUTION OF PROTEIN PRENYLATION EMBO J. V. 27 2444 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:333;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GER B:334;
Valid;
none;
submit data
274.484 C20 H34 CC=C(...
ZN B:332;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DST 1.9 Å EC: 2.5.1.60 CRYSTAL STRUCTURE OF RABGGTASE(DELTA LRR; DELTA IG)IN COMPLE GERANYLGERANYL PYROPHOSPHATE RATTUS NORVEGICUS PROTEIN PRENYLATION METAL-BINDING PRENYLTRANSFERASE TRANSZINC PHOSPHOPROTEIN
Ref.: STRUCTURES OF RABGGTASE-SUBSTRATE/PRODUCT COMPLEXES INSIGHTS INTO THE EVOLUTION OF PROTEIN PRENYLATION EMBO J. V. 27 2444 2008
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3PZ2 ic50 = 724 nM 3PZ C29 H29 N5 O3 S Cn1cncc1CN....
2 4GTS ic50 = 12.8 nM 7TP C33 H32 N4 O6 S Cn1cncc1CN....
3 3PZ3 ic50 = 141 nM PZ3 C41 H39 N5 O7 S Cn1cncc1CN....
4 4GTT ic50 = 6 nM 7TQ C37 H36 N6 O5 S Cn1cncc1CN....
5 3DST Kd = 0.83 nM GRG C20 H36 O7 P2 CC(=CCC/C(....
6 3DSU Kd = 94 nM FPP C15 H28 O7 P2 CC(=CCC/C(....
7 3HXC - BD6 C35 H37 N7 O6 CN([C@@H](....
8 3C72 ic50 = 22.7 uM CX1 C33 H35 N5 O7 CN([C@@H](....
9 3DSV - GER C20 H34 CC=C(/C)CC....
10 3HXE - BD8 C43 H57 N7 O5 CCCCCCCCCC....
11 3PZ1 ic50 = 724 nM 3PZ C29 H29 N5 O3 S Cn1cncc1CN....
12 3DSW - GER C20 H34 CC=C(/C)CC....
13 4GTV ic50 = 38 nM 7TR C34 H38 N6 O5 S CCN(CC)C(=....
14 3HXB - BD5 C35 H35 N3 O8 c1ccc(cc1)....
15 3DSX - GER C20 H34 CC=C(/C)CC....
16 3HXF - BD9 C40 H55 N9 O5 CCCCCCCCCC....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3PZ2 ic50 = 724 nM 3PZ C29 H29 N5 O3 S Cn1cncc1CN....
2 4GTS ic50 = 12.8 nM 7TP C33 H32 N4 O6 S Cn1cncc1CN....
3 3PZ3 ic50 = 141 nM PZ3 C41 H39 N5 O7 S Cn1cncc1CN....
4 4GTT ic50 = 6 nM 7TQ C37 H36 N6 O5 S Cn1cncc1CN....
5 3DST Kd = 0.83 nM GRG C20 H36 O7 P2 CC(=CCC/C(....
6 3DSU Kd = 94 nM FPP C15 H28 O7 P2 CC(=CCC/C(....
7 3HXC - BD6 C35 H37 N7 O6 CN([C@@H](....
8 3C72 ic50 = 22.7 uM CX1 C33 H35 N5 O7 CN([C@@H](....
9 3DSV - GER C20 H34 CC=C(/C)CC....
10 3HXE - BD8 C43 H57 N7 O5 CCCCCCCCCC....
11 3PZ1 ic50 = 724 nM 3PZ C29 H29 N5 O3 S Cn1cncc1CN....
12 3DSW - GER C20 H34 CC=C(/C)CC....
13 4GTV ic50 = 38 nM 7TR C34 H38 N6 O5 S CCN(CC)C(=....
14 3HXB - BD5 C35 H35 N3 O8 c1ccc(cc1)....
15 3DSX - GER C20 H34 CC=C(/C)CC....
16 3HXF - BD9 C40 H55 N9 O5 CCCCCCCCCC....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3PZ2 ic50 = 724 nM 3PZ C29 H29 N5 O3 S Cn1cncc1CN....
2 4GTS ic50 = 12.8 nM 7TP C33 H32 N4 O6 S Cn1cncc1CN....
3 3PZ3 ic50 = 141 nM PZ3 C41 H39 N5 O7 S Cn1cncc1CN....
4 4GTT ic50 = 6 nM 7TQ C37 H36 N6 O5 S Cn1cncc1CN....
5 3DST Kd = 0.83 nM GRG C20 H36 O7 P2 CC(=CCC/C(....
6 3DSU Kd = 94 nM FPP C15 H28 O7 P2 CC(=CCC/C(....
7 3HXC - BD6 C35 H37 N7 O6 CN([C@@H](....
8 3C72 ic50 = 22.7 uM CX1 C33 H35 N5 O7 CN([C@@H](....
9 3DSV - GER C20 H34 CC=C(/C)CC....
10 3HXE - BD8 C43 H57 N7 O5 CCCCCCCCCC....
11 3PZ1 ic50 = 724 nM 3PZ C29 H29 N5 O3 S Cn1cncc1CN....
12 3DSW - GER C20 H34 CC=C(/C)CC....
13 4GTV ic50 = 38 nM 7TR C34 H38 N6 O5 S CCN(CC)C(=....
14 3HXB - BD5 C35 H35 N3 O8 c1ccc(cc1)....
15 3DSX - GER C20 H34 CC=C(/C)CC....
16 3HXF - BD9 C40 H55 N9 O5 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GER; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 GER 1 1
2 FAR 1 1
3 650 0.785714 0.8125
4 SQL 0.709677 0.941176
5 FOH 0.628571 0.695652
6 FOF 0.628571 0.695652
7 ELX 0.628571 0.695652
8 N1S 0.628571 0.695652
9 64Z 0.514286 0.652174
10 CTV 0.447368 0.684211
11 28U 0.444444 0.615385
12 GRQ 0.421053 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: GER; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DST; Ligand: GRG; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 3dst.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
1 4L9P FII 38.0665
2 3DRA GRG 38.8889
3 1KZO FPP 49.8489
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