Receptor
PDB id Resolution Class Description Source Keywords
3NJF 2.47 Å EC: 3.-.-.- Y26F MUTANT OF SO1698 PROTEIN, AN ASPARTIC PEPTIDASE FROM SH ONEIDENSIS SHEWANELLA ONEIDENSIS STRUCTURAL GENOMICS ASPARTIC PEPTIDASE AUTOCATALYSIS PSI-PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURALGENOMICS MCSG HYDROLASE
Ref.: CHARACTERIZATION OF MEMBER OF DUF1888 PROTEIN FAMIL SELF-CLEAVING AND SELF-ASSEMBLING ENDOPEPTIDASE. J.BIOL.CHEM. V. 287 19452 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO GLN ILE ILE ASN ARG PRO GLN ASN B:117;
D:117;
 Valid;
Valid;
 none;
none;
 submit data
823.01 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NJG 1.92 Å EC: 3.-.-.- K98A MUTANT OF SO1698 PROTEIN, AN ASPARTIC PEPTIDASE FROM SH ONEIDENSIS. SHEWANELLA ONEIDENSIS STRUCTURAL GENOMICS ASPARTIC PEPTIDASE AUTOCATALYSIS PSI-PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURALGENOMICS MCSG HYDROLASE
Ref.: CHARACTERIZATION OF MEMBER OF DUF1888 PROTEIN FAMIL SELF-CLEAVING AND SELF-ASSEMBLING ENDOPEPTIDASE. J.BIOL.CHEM. V. 287 19452 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 3NJF - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
2 3NJI - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
3 3NJG - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
4 3NJN - PRO ALA ILE ILE ASN ARG PRO GLN ASN n/a n/a
5 3NJJ - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
6 3N55 - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 3NJF - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
2 3NJI - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
3 3NJG - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
4 3NJN - PRO ALA ILE ILE ASN ARG PRO GLN ASN n/a n/a
5 3NJJ - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
6 3N55 - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3NJF - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
2 3NJI - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
3 3NJG - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
4 3NJN - PRO ALA ILE ILE ASN ARG PRO GLN ASN n/a n/a
5 3NJJ - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
6 3N55 - PRO GLN ILE ILE ASN ARG PRO GLN ASN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO GLN ILE ILE ASN ARG PRO GLN ASN; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO GLN ILE ILE ASN ARG PRO GLN ASN 1 1
2 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.810811 1
3 PRO SER ILE ASP ARG SER THR LYS PRO 0.531034 0.882353
4 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.52518 0.850746
5 ASP GLN GLY ARG GLY ARG ARG ARG PRO 0.496183 0.84375
6 ASP LEU THR ARG PRO 0.484375 0.838235
7 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.469136 0.869565
8 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.460606 0.763158
9 PRO PRO LYS ARG ILE ALA 0.453901 0.904762
10 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.45098 0.884058
11 GLY HIS ARG PRO NH2 0.449612 0.873016
12 PRO SER ARG VAL 0.445378 0.731343
13 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.440298 0.888889
14 GLY ARG LEU LEU PRO 0.44 0.887097
15 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.43949 0.857143
16 GLY PRO ARG PRO 0.436975 0.854839
17 ALA PRO ASP THR ARG PRO ALA PRO 0.434783 0.852941
18 ARG GLU ARG SER PRO THR ARG 0.433071 0.833333
19 PRO GLN PTR ILE PTR VAL PRO ALA 0.430464 0.679487
20 PHE ASN ARG PRO VAL 0.428571 0.863636
21 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.426752 0.867647
22 LEU PRO PRO GLU GLU ARG LEU ILE 0.426573 0.90625
23 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.423841 0.855072
24 PHE ASN PHE PRO GLN ILE THR 0.417808 0.732394
25 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.414474 0.826087
26 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.4125 0.880597
27 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.412162 0.84058
28 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.411765 0.84127
29 ASN ARG PRO ILE LEU SER LEU 0.409722 0.867647
30 ARG PRO LYS ARG ILE ALA 0.408451 0.875
31 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.407407 0.842857
32 ASN VAL ILE VAL LEU MET LEU PRO MET GLU 0.402878 0.787879
33 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.4 0.691176
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO GLN ILE ILE ASN ARG PRO GLN ASN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback