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Receptor
PDB id Resolution Class Description Source Keywords
3NJJ 1.56 Å EC: 3.-.-.- P115A MUTANT OF SO1698 PROTEIN, AN ASPARTIC PEPTIDASE FROM S 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;
Valid;
none;
submit data
823.01 n/a O=C(N...
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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 253 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 209 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 173 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
Ligand no: 1; Ligand: PRO GLN ILE ILE ASN ARG PRO GLN ASN; Similar ligands found: 37
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 ALA PRO ASP THR ARG PRO 0.48855 0.852941
7 ASP LEU THR ARG PRO 0.484375 0.838235
8 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.469136 0.869565
9 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.460606 0.763158
10 PRO PRO LYS ARG ILE ALA 0.453901 0.904762
11 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.45098 0.884058
12 GLY HIS ARG PRO NH2 0.449612 0.873016
13 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.447853 0.857143
14 PRO SER ARG VAL 0.445378 0.731343
15 ALA PRO ASP THR ARG PRO ALA PRO 0.442029 0.852941
16 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.440298 0.888889
17 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.43949 0.857143
18 GLY PRO ARG PRO 0.436975 0.854839
19 SER PRO ARG LEU PRO LEU LEU GLU SER 0.433824 0.903226
20 ARG GLU ARG SER PRO THR ARG 0.433071 0.833333
21 PRO GLN PTR ILE PTR VAL PRO ALA 0.430464 0.679487
22 PHE ASN ARG PRO VAL 0.428571 0.863636
23 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.426752 0.867647
24 LEU PRO PRO GLU GLU ARG LEU ILE 0.426573 0.90625
25 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.423841 0.855072
26 PHE ASN PHE PRO GLN ILE THR 0.417808 0.732394
27 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.414474 0.826087
28 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.4125 0.880597
29 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.412162 0.84058
30 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.411765 0.84127
31 ALA PRO ASP SER ARG PRO A2G 0.411392 0.763158
32 ALA PRO ASP THR ARG PRO A2G 0.409938 0.763158
33 ASN ARG PRO ILE LEU SER LEU 0.409722 0.867647
34 ARG PRO LYS ARG ILE ALA 0.408451 0.875
35 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.407407 0.842857
36 ASN VAL ILE VAL LEU MET LEU PRO MET GLU 0.402878 0.787879
37 ALA PRO ASP CYS ARG PRO A2G 0.4 0.74359
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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