Receptor
PDB id Resolution Class Description Source Keywords
5JXF 2.1 Å EC: 3.4.14.- CRYSTAL STRUCTURE OF FLAVOBACTERIUM PSYCHROPHILUM DPP11 IN C WITH DIPEPTIDE ARG-ASP FLAVOBACTERIUM PSYCHROPHILUM 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 ASP B:801;
A:801;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
submit data
274.301 n/a O=C(N...
CL D:802;
C:801;
D:801;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
NA D:803;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JXF 2.1 Å EC: 3.4.14.- CRYSTAL STRUCTURE OF FLAVOBACTERIUM PSYCHROPHILUM DPP11 IN C WITH DIPEPTIDE ARG-ASP FLAVOBACTERIUM PSYCHROPHILUM PEPTIDASE BACTERIAL ENZYME DIPEPTIDE HYDROLASE
Ref.: BACTERIAL PROTEASE USES DISTINCT THERMODYNAMIC SIGN FOR SUBSTRATE RECOGNITION. SCI REP V. 7 2848 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5JXF - ARG ASP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5JXF - ARG ASP 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 ASP; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ASP 1 1
2 ARG GLY ASP 0.711864 0.976744
3 BEZ NLE LYS ARG OAR 0.606557 0.837209
4 ARG ASP ALA ALA 0.59375 0.976744
5 ARG ALA ARG 0.580645 0.840909
6 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.553846 0.863636
7 ARG ARG ARG ARG ARG ARG ARG ARG 0.553846 0.863636
8 ARG VAL 0.551724 0.866667
9 ARG GLU 0.55 0.97619
10 ARG ILE ALA ALA ALA 0.5 0.804348
11 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.493151 0.844444
12 THR ALA ARG M3L SER THR 0.486486 0.639344
13 ARG SER ARG 0.484848 0.87234
14 ARG LEU GLY GLU SER 0.477612 0.808511
15 ARG ARG ALA ALA 0.471429 0.888889
16 CYS ALA ARG ALA TYR 0.470588 0.822222
17 ARG GLU ALA ALA 0.465753 0.931818
18 ARG GLY THR 0.463768 0.87234
19 LYS ARG LYS ARG LYS ARG LYS ARG 0.461538 0.666667
20 GLU ALY ARG 0.45 0.87234
21 LYS ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.447761 0.618182
22 ALA ARG 0.442623 0.906977
23 GLY ALA ARG 0.432836 0.863636
24 GLY ARG GLY ASP SER PRO 0.426829 0.913043
25 LYS ARG LYS 0.416667 0.909091
26 ARG GLY ASP ILE ASN ASN ASN VAL 0.414894 0.807692
27 ARG ARG GLY ILE NH2 0.413333 0.8125
28 ACE THR ARG GLU 0.411765 0.833333
29 ARG ARG GLY CYS NH2 0.410959 0.847826
30 ASN GLU 0.409836 0.704545
31 GLU ARG GLY SER GLY ARG 0.406977 0.857143
32 ALA ILE ARG SER 0.405063 0.795918
33 ARG ILE PHE SER 0.4 0.75
34 ARG ARG GLY LEU NH2 0.4 0.8125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JXF; Ligand: ARG ASP; 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: 5jxf.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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