Receptor
PDB id Resolution Class Description Source Keywords
5JWI 2.1 Å EC: 3.4.14.- CRYSTAL STRUCTURE OF PORPHYROMONAS ENDODONTALIS DPP11 IN COM DIPEPTIDE ARG-GLU PORPHYROMONAS ENDODONTALIS PEPTIDASE BACTERIAL ENZYME DIPEPTIDE HYDROLASE
Ref.: BACTERIAL PROTEASE USES DISTINCT THERMODYNAMIC SIGN FOR SUBSTRATE RECOGNITION. SCI REP V. 7 2848 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG GLU A:801;
B:803;
Valid;
Valid;
none;
none;
submit data
303.319 n/a O=C([...
CL B:801;
B:802;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JWI 2.1 Å EC: 3.4.14.- CRYSTAL STRUCTURE OF PORPHYROMONAS ENDODONTALIS DPP11 IN COM DIPEPTIDE ARG-GLU PORPHYROMONAS ENDODONTALIS PEPTIDASE BACTERIAL ENZYME DIPEPTIDE HYDROLASE
Ref.: BACTERIAL PROTEASE USES DISTINCT THERMODYNAMIC SIGN FOR SUBSTRATE RECOGNITION. SCI REP V. 7 2848 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5JWG - ARG ASP n/a n/a
2 5JWI - ARG GLU 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 3 families.
1 5JWG - ARG ASP n/a n/a
2 5JWI - ARG GLU n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5JWG - ARG ASP n/a n/a
2 5JWI - ARG GLU n/a n/a
3 5JXF - ARG ASP n/a n/a
4 3WON Ki = 0.41 mM VAL TYR n/a n/a
5 3WOP - VAL TYR ILE HIS PRO PHE n/a n/a
6 3WOL Ki = 0.41 mM VAL TYR n/a n/a
7 3WOQ - VAL TYR ILE HIS PRO PHE n/a n/a
8 3WOM Ki = 0.41 mM VAL TYR n/a n/a
9 4Y06 - LEU GLU n/a n/a
10 3WOO - VAL TYR ILE HIS PRO PHE n/a n/a
11 3WOR - ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG GLU; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG GLU 1 1
2 ARG GLU ALA ALA 0.636364 0.953488
3 ARG SER ARG 0.622951 0.851064
4 ARG VAL 0.568965 0.886364
5 ALA ARG 0.561404 0.928571
6 ARG ASP 0.55 0.97619
7 LYS ARG LYS 0.537313 0.930233
8 ARG ASP ALA ALA 0.537313 0.953488
9 ASP GLU 0.537037 0.714286
10 ARG ARG ALA ALA 0.529412 0.909091
11 ALA DGL 0.509434 0.714286
12 LEU GLU 0.508772 0.666667
13 ARG LEU GLY GLU SER 0.492537 0.826087
14 ARG ILE MET GLU NH2 0.487805 0.836735
15 ARG ARG ARG ARG ARG ARG ARG ARG 0.478261 0.883721
16 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.478261 0.883721
17 ARG GLY ASP 0.478261 0.953488
18 ARG GLY THR 0.478261 0.891304
19 MET ALA ARG 0.472222 0.833333
20 ARG ARG GLY CYS NH2 0.464789 0.866667
21 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.456522 0.788462
22 LYS GLU LYS 0.454545 0.813953
23 ARG ARG GLY LEU NH2 0.452055 0.829787
24 ARG ARG GLY ILE NH2 0.445946 0.829787
25 ARG ASP ARG ALA ALA LYS LEU 0.444444 0.851064
26 GLU ALY ARG 0.444444 0.891304
27 THR ALA ARG M3L SER THR 0.441558 0.65
28 LYS ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.441176 0.62963
29 ARG ALA ARG 0.434783 0.860465
30 BEZ NLE LYS ARG OAR 0.434783 0.857143
31 ARG ARG GLY MET NH2 0.428571 0.78
32 ARG ILE ALA ALA ALA 0.428571 0.822222
33 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.428571 0.863636
34 LYS LYS 0.423729 0.767442
35 GLU ARG GLY SER GLY ARG 0.418605 0.836735
36 ARG ARG ARG GLU THR GLN VAL 0.418605 0.803922
37 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.416667 0.930233
38 GLU ARG GLY MET THR 0.41573 0.788462
39 GLN LYS 0.40625 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JWI; Ligand: ARG GLU; 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: 5jwi.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JWI; Ligand: ARG GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5jwi.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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