Receptor
PDB id Resolution Class Description Source Keywords
6MNA 1.75 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LPQN INVOLVED IN CELL ENVELOPE BIOGENES MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) LIPID BINDING PROTEIN (6DDTRE)LAURYL-6-TREHALOSIDE TREHALODODECANOATE
Ref.: STRUCTURAL AND FUNCTIONAL EVIDENCE THAT LIPOPROTEIN SUPPORTS CELL ENVELOPE BIOGENESIS INMYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 294 15711 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
U2D GLC B:1;
 Valid;
 none;
 submit data
498.566 n/a O(C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E5F 1.37 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LPQN INVOLVED IN CELL ENVELOPE BIOGENES MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) LIPID BINDING PROTEIN (6DDTRE)LAURYL-6-TREHALOSIDE
Ref.: STRUCTURAL AND FUNCTIONAL EVIDENCE THAT LIPOPROTEIN SUPPORTS CELL ENVELOPE BIOGENESIS INMYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 294 15711 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6MNA - U2D GLC n/a n/a
2 6E5F - L6T C24 H46 O11 CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6MNA - U2D GLC n/a n/a
2 6E5F - L6T C24 H46 O11 CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6MNA - U2D GLC n/a n/a
2 6E5F - L6T C24 H46 O11 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: U2D GLC; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 U2D GLC 1 1
2 L6T 0.591549 0.954545
3 Z69 0.554455 0.811321
4 GLC U8V 0.464789 0.795455
5 LMU 0.461538 0.976744
6 DMU 0.461538 0.976744
7 UMQ 0.461538 0.976744
8 LMT 0.461538 0.976744
9 GLC G6P 0.457143 0.634615
10 BGC GLA GAL 0.441176 0.767442
11 10M 0.439024 0.913043
12 BOG 0.43662 0.930233
13 BNG 0.43662 0.930233
14 HSJ 0.43662 0.930233
15 GLC GLC 6X6 0.431818 0.693878
16 BGC SPH GAL DAO 0.42268 0.796296
17 BGC SPH GAL OLA 0.42268 0.796296
18 B7G 0.422535 0.930233
19 KGM 0.422535 0.930233
20 BHG 0.408451 0.906977
21 JZR 0.408451 0.906977
22 HEX GLC 0.408451 0.906977
23 GLC NBU GAL GLA 0.4 0.906977
Similar Ligands (3D)
Ligand no: 1; Ligand: U2D GLC; 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 : 6E5F; Ligand: L6T; 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: 6e5f.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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