Receptor
PDB id Resolution Class Description Source Keywords
4JL0 2.22 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PCRH IN COMPLEX WITH THE CHAPERONE BIND OF POPB PSEUDOMONAS AERUGINOSA CHAPERONE TRANSLOCATOR PROTEIN BINDING TYPE III SECRETIONTPR TETRATRICOPEPTIDE REPEAT
Ref.: MEMBRANE AND CHAPERONE RECOGNITION BY THE MAJOR TRA PROTEIN POPB OF THE TYPE III SECRETION SYSTEM OF PS AERUGINOSA. J.BIOL.CHEM. V. 289 3591 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRS A:201;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
THR GLY VAL ALA LEU THR PRO PRO SER C:51;
D:53;
Valid;
Valid;
none;
none;
submit data
826.97 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XCB 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PCRH IN COMPLEX WITH THE CHAPERONE BINDING REGION OF POPD PSEUDOMONAS AERUGINOSA PROTEIN TRANSPORT BACTERIAL TOXIN TYPE III SECRETION PROTEIN BINDING
Ref.: STRUCTURAL BASIS OF CHAPERONE RECOGNITION OF TYPE III SECRETION SYSTEM MINOR TRANSLOCATOR PROTEINS. J.BIOL.CHEM. V. 285 23224 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4JL0 - THR GLY VAL ALA LEU THR PRO PRO SER n/a n/a
2 2XCB - ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN n/a n/a
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 4JL0 - THR GLY VAL ALA LEU THR PRO PRO SER n/a n/a
2 2XCB - ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN n/a n/a
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 4JL0 - THR GLY VAL ALA LEU THR PRO PRO SER n/a n/a
2 2XCB - ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THR GLY VAL ALA LEU THR PRO PRO SER; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 THR GLY VAL ALA LEU THR PRO PRO SER 1 1
2 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.504274 0.916667
3 THR THR ALA PRO SER LEU SER GLY LYS 0.468531 0.951613
4 ASN LEU VAL PRO SER VAL ALA THR VAL 0.460432 0.935484
5 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.453947 0.863636
6 ASN LEU VAL PRO THR VAL ALA THR VAL 0.452555 0.903226
7 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.449275 0.903226
8 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.44898 0.967213
9 ASN LEU VAL PRO MET VAL ALA THR VAL 0.448276 0.848485
10 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.444444 0.863636
11 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.43662 0.787879
12 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.434483 0.903226
13 ARG VAL ALA SER PRO THR SER GLY VAL 0.431507 0.850746
14 MET THR SER ALA ILE GLY ILE LEU PRO VAL 0.431373 0.878788
15 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.426667 0.870968
16 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.426573 0.787879
17 THR THR ALA PRO PHE LEU SER GLY LYS 0.424051 0.921875
18 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.42069 0.84375
19 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.42029 0.875
20 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.416667 0.918033
21 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.414474 0.823529
22 LYS LEU THR PRO LEU CYS VAL THR LEU 0.413793 0.919355
23 SER SER GLY LYS VAL PRO LEU SER 0.411348 0.95082
24 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.406897 0.919355
25 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.405594 0.903226
26 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.401274 0.805556
27 ARG VAL ALA SEP PRO THR SER GLY VAL 0.401274 0.780822
28 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.4 0.820895
Similar Ligands (3D)
Ligand no: 1; Ligand: THR GLY VAL ALA LEU THR PRO PRO SER; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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