Receptor
PDB id Resolution Class Description Source Keywords
5W7I 2.11 Å EC: 2.3.1.225 X-RAY STRUCTURE OF ANKYRIN REPEAT DOMAIN OF DHHC17 IN COMPLE SNAP25B PEPTIDE HOMO SAPIENS PALMITOYLTRANSFERASES SNAP25 ANKYRIN REPEAT DOMAIN PROTEI
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY THE A REPEAT DOMAIN OF HUMAN DHHC17 PALMITOYLTRANSFERASE. STRUCTURE V. 25 1337 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY VAL VAL ALA SER GLN PRO ALA ARG VAL D:1;
B:1;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.087;
Atoms found LESS than expected: % Diff = 0.087;
 Kd = 11.2 uM
898.029 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W7I 2.11 Å EC: 2.3.1.225 X-RAY STRUCTURE OF ANKYRIN REPEAT DOMAIN OF DHHC17 IN COMPLE SNAP25B PEPTIDE HOMO SAPIENS PALMITOYLTRANSFERASES SNAP25 ANKYRIN REPEAT DOMAIN PROTEI
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY THE A REPEAT DOMAIN OF HUMAN DHHC17 PALMITOYLTRANSFERASE. STRUCTURE V. 25 1337 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5W7I Kd = 11.2 uM GLY VAL VAL ALA SER GLN PRO ALA ARG VAL n/a n/a
2 5W7J - GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 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 4 families.
1 5W7I Kd = 11.2 uM GLY VAL VAL ALA SER GLN PRO ALA ARG VAL n/a n/a
2 5W7J - GLY VAL VAL ALA SER GLN PRO ALA ARG VAL n/a n/a
50% 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 5W7I Kd = 11.2 uM GLY VAL VAL ALA SER GLN PRO ALA ARG VAL n/a n/a
2 5W7J - GLY VAL VAL ALA SER GLN PRO ALA ARG VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY VAL VAL ALA SER GLN PRO ALA ARG VAL; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 1 1
2 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.488722 0.9
3 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.486301 0.861538
4 ARG VAL ALA SER PRO THR SER GLY VAL 0.474074 0.875
5 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.473684 0.933333
6 ASN LEU VAL PRO SER VAL ALA THR VAL 0.473282 0.933333
7 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.472868 0.9
8 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.469697 0.83871
9 ALA VAL PRO ILE ALA GLN 0.466667 0.862069
10 ASN LEU VAL PRO THR VAL ALA THR VAL 0.465116 0.9
11 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.458647 0.83871
12 ACE ALA GLU GLY PHE PRO ALA TPO VAL 0.452381 0.761194
13 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.45098 0.820895
14 ACE GLU VAL ASN PRO ALA VAL LPD 0.44186 0.852459
15 ASN LEU VAL PRO MET VAL ALA THR VAL 0.438849 0.84375
16 ARG VAL ALA SEP PRO THR SER GLY VAL 0.438356 0.8
17 MET THR SER ALA ILE GLY ILE LEU PRO VAL 0.431507 0.875
18 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.430556 0.787879
19 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.430556 0.761194
20 ALA ARG MLZ SER ALA PRO ALA THR 0.425532 0.771429
21 ASN LYS ASN ALA ASN SEP SER PRO VAL 0.421429 0.835821
22 GLN ASN TYR PRO ILE VAL GLN 0.41844 0.815385
23 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.416667 0.836066
24 SER GLY PRO ASP ASN GLY ALA VAL ALA VAL 0.408451 0.933333
25 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.407643 0.848485
26 PRO ARG GLY TYR PRO GLY GLN VAL 0.406897 0.8125
27 GLY THR SER SER PRO SER ALA ASP 0.40625 0.931035
28 GLU LYS PRO SER SER SER 0.403226 0.913793
29 VAL THR SER VAL VAL 0.401961 0.678571
30 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.401163 0.742857
31 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.4 0.784615
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY VAL VAL ALA SER GLN PRO ALA ARG VAL; 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 : 5W7I; Ligand: GLY VAL VAL ALA SER GLN PRO ALA ARG VAL; 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: 5w7i.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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