Receptor
PDB id Resolution Class Description Source Keywords
2F2L 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TRACHEAL CYTOTOXIN (TCT) BOUND TO THE E COMPLEX OF PEPTIDOGLYCAN RECOGNITION PROTEINS LCA (PGRP-LCA( PGRP-LCX) DROSOPHILA MELANOGASTER PROTEIN-PEPTIDOGLYCAN COMPLEX MEMBRANE PROTEIN IMMUNE SYST
Ref.: STRUCTURE OF TRACHEAL CYTOTOXIN IN COMPLEX WITH A HETERODIMERIC PATTERN-RECOGNITION RECEPTOR. SCIENCE V. 311 1761 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT X:301;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
HSQ A:999;
 Part of Protein;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
MLD X:201;
 Valid;
 none;
 submit data
921.899 C37 H59 N7 O20 C[C@@...
NAG A:998;
 Part of Protein;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
SO4 A:1000;
X:501;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2F2L 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TRACHEAL CYTOTOXIN (TCT) BOUND TO THE E COMPLEX OF PEPTIDOGLYCAN RECOGNITION PROTEINS LCA (PGRP-LCA( PGRP-LCX) DROSOPHILA MELANOGASTER PROTEIN-PEPTIDOGLYCAN COMPLEX MEMBRANE PROTEIN IMMUNE SYST
Ref.: STRUCTURE OF TRACHEAL CYTOTOXIN IN COMPLEX WITH A HETERODIMERIC PATTERN-RECOGNITION RECEPTOR. SCIENCE V. 311 1761 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2F2L - MLD C37 H59 N7 O20 C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2F2L - MLD C37 H59 N7 O20 C[C@@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2F2L - MLD C37 H59 N7 O20 C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MLD; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 MLD 1 1
2 NAG AH0 ALA DGL API DAL DAL 0.636986 0.952381
3 ALA NAG AH0 DAL 0.617886 0.885246
4 NAG AH0 0.532787 0.868852
5 ALA FGA LYS DAL DAL AMV NAG 0.506667 0.875
6 MUB ALA NAG ZGL 0.453901 0.885246
7 MUB ALA NAG DGN 0.450704 0.885246
8 AH0 ALA FGA LYS 0.450704 0.920635
9 AMU ALA NAG DGL 0.446809 0.868852
10 AH0 NAG 0.444444 0.868852
11 ALA FGA API DAL DAL MUB 0.426667 0.868852
12 MUB ALA NAG GLN 0.42069 0.868852
13 3QL 0.419355 0.866667
14 AMV ALA FGA LYS DAL DAL 0.417219 0.828125
15 AMU ALA GMA LYS DAL DAL NH2 0.407895 0.84127
16 MUB ALA ZGL ALY DAL NH2 0.405229 0.815385
17 Z4S NAG NAG 0.40458 0.883333
Similar Ligands (3D)
Ligand no: 1; Ligand: MLD; 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 : 2F2L; Ligand: MLD; 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: 2f2l.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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