Receptor
PDB id Resolution Class Description Source Keywords
1WUB 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE POLYISOPRENOID-BINDING PROTEIN, TT1927B, FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS BETA-BARREL STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF A NOVEL POLYISOPRENOID-BINDING PROTEIN FROM THERMUS THERMOPHILUS HB8 PROTEIN SCI. V. 14 1004 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OTP A:1001;
 Valid;
 none;
 submit data
722.911 C40 H68 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WUB 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE POLYISOPRENOID-BINDING PROTEIN, TT1927B, FROM THERMUS THERMOPHILUS HB8 THERMUS THERMOPHILUS BETA-BARREL STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF A NOVEL POLYISOPRENOID-BINDING PROTEIN FROM THERMUS THERMOPHILUS HB8 PROTEIN SCI. V. 14 1004 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1WUB - OTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1WUB - OTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1WUB - OTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OTP; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 VTP 1 1
2 GRG 1 0.975
3 OTP 1 1
4 FPP 1 0.975
5 ZTP 1 1
6 GPP 0.911111 0.95
7 DSL 0.744681 0.925
8 0K3 0.744681 0.925
9 FJP 0.744681 0.9
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 HZZ 0.680851 0.875
13 FGG 0.590164 0.906977
14 FPF 0.57377 0.906977
15 2CF 0.57377 0.906977
16 ELU 0.571429 0.928571
17 ELR 0.571429 0.928571
18 10E 0.568627 0.6875
19 10D 0.568627 0.767442
20 MGM 0.5625 0.75
21 DMA 0.5625 0.825
22 A4S 0.558824 0.685185
23 3E9 0.555556 0.928571
24 FPS 0.551724 0.860465
25 GGS 0.551724 0.860465
26 H6P 0.54902 0.767442
27 FPQ 0.539683 0.808511
28 10G 0.538462 0.75
29 FII 0.507937 0.655172
30 GST 0.482759 0.837209
31 PS7 0.48 0.886364
32 C0X 0.477612 0.729167
33 FHP 0.473684 0.744186
34 1NH 0.457831 0.755102
35 0FV 0.442623 0.883721
36 LA6 0.442623 0.883721
37 SZH 0.428571 0.644068
38 749 0.428571 0.875
39 9GB 0.415094 0.804878
Similar Ligands (3D)
Ligand no: 1; Ligand: OTP; 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 : 1WUB; Ligand: OTP; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1wub.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 7BWL UQ8 48.3146
2 5IXG OTP 49.7041
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