Receptor
PDB id Resolution Class Description Source Keywords
3NJN 1.25 Å EC: 3.-.-.- Q118A 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
CA A:403;
C:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MPD A:401;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
PRO ALA ILE ILE ASN ARG PRO GLN ASN B:117;
D:117;
Valid;
Valid;
none;
none;
submit data
765.958 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 ALA ILE ILE ASN ARG PRO GLN ASN; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO ALA ILE ILE ASN ARG PRO GLN ASN 1 1
2 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.810811 1
3 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.503597 0.850746
4 PRO SER ILE ASP ARG SER THR LYS PRO 0.489796 0.882353
5 ASP LEU THR ARG PRO 0.472441 0.838235
6 GLY HIS ARG PRO NH2 0.460317 0.873016
7 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.460123 0.763158
8 ALA PRO ASP THR ARG PRO ALA PRO 0.455224 0.852941
9 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.441718 0.869565
10 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.440789 0.884058
11 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.440559 0.84058
12 GLY PRO ARG PRO 0.435897 0.854839
13 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.428571 0.888889
14 GLY ARG LEU LEU PRO 0.427419 0.887097
15 PRO PRO LYS ARG ILE ALA 0.422535 0.904762
16 ASP GLN GLY ARG GLY ARG ARG ARG PRO 0.419118 0.84375
17 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.413333 0.855072
18 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.411392 0.857143
19 ARG GLU ARG SER PRO THR ARG 0.409449 0.833333
20 PRO SER ARG VAL 0.408333 0.731343
21 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.407643 0.867647
22 PHE ASN ARG PRO VAL 0.407143 0.863636
23 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.4 0.84127
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO ALA 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
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