Receptor
PDB id Resolution Class Description Source Keywords
5SGA 1.8 Å EC: 3.-.-.- STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCE PROTEASE A AT 1.8 ANGSTROMS RESOLUTION. A MODEL FOR SERINE C ATALYSIS STREPTOMYCES GRISEUS SERINE PROTEINASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCES GRISEUS PROTEASE A AT 1.8 A RESOLUTION FOR SERINE PROTEASE CATALYSIS. J.MOL.BIOL. V. 144 43 1980
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE PRO ALA PRO TYR P:5;
 Valid;
 none;
 submit data
487.533 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4SGA 1.8 Å EC: 3.-.-.- STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCE PROTEASE A AT 1.8 ANGSTROMS RESOLUTION. A MODEL FOR SERINE C ATALYSIS STREPTOMYCES GRISEUS SERINE PROTEINASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURES OF PRODUCT AND INHIBITOR COMPLEXES OF STREPTOMYCES GRISEUS PROTEASE A AT 1.8 A RESOLUTION FOR SERINE PROTEASE CATALYSIS. J.MOL.BIOL. V. 144 43 1980
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5SGA - ACE PRO ALA PRO TYR n/a n/a
2 4SGA Ki = 50 nM ACE PRO ALA PRO PHE n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1HPG - BOC ALA ALA PRO GLU n/a n/a
2 5SGA - ACE PRO ALA PRO TYR n/a n/a
3 4SGA Ki = 50 nM ACE PRO ALA PRO PHE n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1HPG - BOC ALA ALA PRO GLU n/a n/a
2 5SGA - ACE PRO ALA PRO TYR n/a n/a
3 4SGA Ki = 50 nM ACE PRO ALA PRO PHE n/a n/a
4 2OUA - AES C8 H10 F N O2 S c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE PRO ALA PRO TYR; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE PRO ALA PRO TYR 1 1
2 ACE PRO ALA PRO PHE 0.777778 0.929825
3 TYR PRO TYR 0.670732 0.85
4 ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2 0.571429 0.877193
5 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.546219 0.888889
6 GLU GLU ASN ASP PRO ASP TYR 0.509615 0.825397
7 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.5 0.8
8 N7P THR SEP PRO SER TYR SET 0.483333 0.788732
9 THR PRO PRO SER PRO PHE 0.480769 0.825397
10 ACE ALA PRO ALA 0.47561 0.789474
11 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.469027 0.852459
12 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.467742 0.861538
13 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.465517 0.933333
14 TRP ASP ILE PRO PHE 0.461538 0.761905
15 HIS PRO PHE 0.460784 0.774194
16 TYR SEP PRO THR SEP PRO SER 0.452174 0.760563
17 GLU PRO VAL GLU THR THR ASP TYR 0.45082 0.84375
18 MET TYR TRP TYR PRO TYR 0.445312 0.80597
19 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.443609 0.714286
20 TYR PRO PHE PHE NH2 0.442308 0.819672
21 PRO PHQ PHE 0.442105 0.714286
22 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.440298 0.823529
23 PRO SER TYR SEP PRO THR SEP PRO SER 0.436508 0.760563
24 PRO ALA PRO PHE PRO ALA NH2 0.427184 0.8
25 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.426471 0.814286
26 GLN ASN TYR PRO ILE VAL GLN 0.424 0.80303
27 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.423077 0.72
28 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.421053 0.791045
29 VAL PRO LEU 0.420455 0.766667
30 ARG VAL SER PRO SER THR SER TYR THR PRO 0.418803 0.8
31 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.418033 0.859375
32 PRO ALA PRO PHE ALA ALA ALA 0.417391 0.816667
33 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.416667 0.796875
34 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.414062 0.848485
35 ACE TYR PRO ILE GLN GLU THR 0.412698 0.857143
36 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.411348 0.8
37 BOC ALA ALA PRO GLU 0.407767 0.738462
38 TRP PRO TRP 0.40566 0.774194
39 PRO ALA PRO PHE ALA SER ALA 0.404959 0.796875
40 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.404412 0.815385
41 TYR TYR SER ILE ILE PRO HIS SER ILE 0.402985 0.774648
42 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.402985 0.846154
43 VAL PRO LEU ARG PRO MET THR TYR 0.402878 0.756757
44 GLN ILE MET TYR ASN TYR PRO ALA MET 0.402878 0.785714
45 TYR TYR SER ILE ALA PRO HIS SER ILE 0.40146 0.774648
46 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.4 0.846154
47 GLN MET PRO THR GLU ASP GLU TYR 0.4 0.835821
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE PRO ALA PRO TYR; 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 : 4SGA; Ligand: ACE PRO ALA PRO PHE; 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: 4sga.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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