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 1443 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 1205 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 1039 families.
1 4XU6 - TDA C13 H26 O2 CCCCCCCCCC....
2 4XU5 - LBR C30 H57 Br O5 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LBR; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 LBR 1 1
2 FAW 0.86 0.909091
3 DDR 0.86 0.909091
4 DGA 0.86 0.909091
5 L2C 0.86 0.909091
6 TGL 0.648148 0.794118
7 G2A 0.615385 0.852941
8 2JT 0.615385 0.852941
9 3PH 0.5625 0.644444
10 LPP 0.5625 0.644444
11 6PH 0.5625 0.644444
12 7PH 0.5625 0.644444
13 F57 0.5625 0.644444
14 7P9 0.553846 0.644444
15 PX8 0.553846 0.659091
16 PX2 0.553846 0.659091
17 GYM 0.54386 0.828571
18 1QW 0.54386 0.828571
19 8ND 0.538462 0.651163
20 LHG 0.535211 0.652174
21 PGT 0.535211 0.652174
22 M7U 0.513889 0.644444
23 PD7 0.507692 0.644444
24 CD4 0.507042 0.644444
25 CDL 0.5 0.636364
26 D21 0.493151 0.630435
27 PGK 0.481481 0.680851
28 AGA 0.48 0.652174
29 D3D 0.475 0.638298
30 PGW 0.475 0.638298
31 OLC 0.469697 0.805556
32 OLB 0.469697 0.805556
33 PGV 0.469136 0.638298
34 DR9 0.469136 0.638298
35 P6L 0.463415 0.638298
36 OZ2 0.457831 0.638298
37 CN3 0.455696 0.644444
38 44E 0.454545 0.644444
39 DGD 0.448276 0.638298
40 MVC 0.447761 0.805556
41 DGG 0.447059 0.612245
42 P3A 0.447059 0.638298
43 NKO 0.439394 0.644444
44 NKN 0.439394 0.644444
45 44G 0.438356 0.652174
46 1O2 0.436782 0.652174
47 PGM 0.43662 0.666667
48 78N 0.432836 0.805556
49 78M 0.432836 0.805556
50 3TF 0.431818 0.652174
51 CN6 0.43038 0.644444
52 PVC 0.426471 0.7
53 DAO FTT 0.424242 0.676471
54 CNS 0.40678 0.606061
55 CUY 0.40678 0.606061
56 6UL 0.40678 0.606061
57 1L2 0.4 0.652174
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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