Receptor
PDB id Resolution Class Description Source Keywords
4xu5 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MVINS BOUND TO A BROMINE-DERIVED 14C DIACYLGLYCEROL (DAG) AT 2.1A RESOLUTION MYCOBACTERIUM VANBAALENII PYR-1 UNKNOWN FUNCTION
Ref.: PROTEIN STRUCTURE. CRYSTAL STRUCTURE OF A MYCOBACTE INSIG HOMOLOG PROVIDES INSIGHT INTO HOW THESE SENSO MONITOR STEROL LEVELS SCIENCE V. 349 187 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D10 A:303;
A:304;
A:306;
A:305;
A:302;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
142.282 C10 H22 CCCCC...
BOG A:307;
 Invalid;
 none;
 submit data
292.369 C14 H28 O6 CCCCC...
LBR A:301;
 Valid;
 none;
 submit data
577.675 C30 H57 Br O5 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XU6 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CROSS-LINKED MVINS R77C TRIMER AT 1.9A MYCOBACTERIUM VANBAALENII PYR-1 UNKNOWN FUNCTION
Ref.: PROTEIN STRUCTURE. CRYSTAL STRUCTURE OF A MYCOBACTE INSIG HOMOLOG PROVIDES INSIGHT INTO HOW THESE SENSO MONITOR STEROL LEVELS SCIENCE V. 349 187 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4XU6 - TDA C13 H26 O2 CCCCCCCCCC....
2 4XU5 - LBR C30 H57 Br O5 CCCCCCCCCC....
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 4XU6 - TDA C13 H26 O2 CCCCCCCCCC....
2 4XU5 - LBR C30 H57 Br O5 CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4XU6 - TDA C13 H26 O2 CCCCCCCCCC....
2 4XU5 - LBR C30 H57 Br O5 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LBR; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 LBR 1 1
2 1EM 0.86 0.909091
3 DGA 0.86 0.909091
4 FAW 0.86 0.909091
5 DDR 0.86 0.909091
6 L2C 0.86 0.909091
7 TGL 0.648148 0.794118
8 BQ9 0.617647 0.882353
9 2JT 0.615385 0.852941
10 G2A 0.615385 0.852941
11 LPP 0.5625 0.644444
12 F57 0.5625 0.644444
13 3PH 0.5625 0.644444
14 6PH 0.5625 0.644444
15 7PH 0.5625 0.644444
16 PX2 0.553846 0.659091
17 PX8 0.553846 0.659091
18 7P9 0.553846 0.644444
19 GYM 0.54386 0.828571
20 EKG 0.54386 0.828571
21 1QW 0.54386 0.828571
22 8ND 0.538462 0.651163
23 PA8 0.538462 0.659091
24 LHG 0.535211 0.652174
25 PGT 0.535211 0.652174
26 PG8 0.513889 0.652174
27 M7U 0.513889 0.644444
28 PD7 0.507692 0.644444
29 CD4 0.507042 0.644444
30 CDL 0.5 0.636364
31 D21 0.493151 0.630435
32 PGK 0.481481 0.680851
33 AGA 0.48 0.652174
34 D3D 0.475 0.638298
35 PGW 0.475 0.638298
36 OLB 0.469697 0.805556
37 OLC 0.469697 0.805556
38 DR9 0.469136 0.638298
39 PGV 0.469136 0.638298
40 P6L 0.463415 0.638298
41 OZ2 0.457831 0.638298
42 CN3 0.455696 0.644444
43 44E 0.454545 0.644444
44 DGD 0.448276 0.638298
45 MVC 0.447761 0.805556
46 DGG 0.447059 0.612245
47 P3A 0.447059 0.638298
48 NKN 0.439394 0.644444
49 NKO 0.439394 0.644444
50 44G 0.438356 0.652174
51 1O2 0.436782 0.652174
52 PGM 0.43662 0.666667
53 78N 0.432836 0.805556
54 78M 0.432836 0.805556
55 3TF 0.431818 0.652174
56 CN6 0.43038 0.644444
57 PVC 0.426471 0.7
58 DAO FTT 0.424242 0.676471
59 1WV 0.41791 0.805556
60 6UL 0.40678 0.606061
61 CNS 0.40678 0.606061
62 CUY 0.40678 0.606061
63 1L2 0.4 0.652174
Similar Ligands (3D)
Ligand no: 1; Ligand: LBR; 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 : 4XU6; Ligand: TDA; 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: 4xu6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XU6; Ligand: TDA; 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: 4xu6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XU6; Ligand: TDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4xu6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XU6; Ligand: TDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4xu6.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4XU6; Ligand: TDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4xu6.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4XU6; Ligand: TDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4xu6.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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