Receptor
PDB id Resolution Class Description Source Keywords
5ELQ 1.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SNX27 PDZ DOMAIN BOUND TO THE C-TER DGKZETA PDZ BINDING MOTIF RATTUS NORVEGICUS ENDOSOME PDZ DOMAIN SORTING NEXIN PROTEIN TRANSPORT
Ref.: A MOLECULAR CODE FOR ENDOSOMAL RECYCLING OF PHOSPHO CARGOS BY THE SNX27-RETROMER COMPLEX. NAT.STRUCT.MOL.BIOL. V. 23 921 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PG4 B:201;
C:301;
A:201;
B:202;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
194.226 C8 H18 O5 C(COC...
ARG GLU ASP GLN GLU THR ALA VAL P:201;
C:201;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.167;
Atoms found LESS than expected: % Diff = 0.167;
 Kd = 2 uM
786.749 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ELQ 1.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SNX27 PDZ DOMAIN BOUND TO THE C-TER DGKZETA PDZ BINDING MOTIF RATTUS NORVEGICUS ENDOSOME PDZ DOMAIN SORTING NEXIN PROTEIN TRANSPORT
Ref.: A MOLECULAR CODE FOR ENDOSOMAL RECYCLING OF PHOSPHO CARGOS BY THE SNX27-RETROMER COMPLEX. NAT.STRUCT.MOL.BIOL. V. 23 921 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5EMB - GLN GLU GLU TRP SEP THR VAL MET n/a n/a
2 5ELQ Kd = 2 uM ARG GLU ASP GLN GLU THR ALA VAL n/a n/a
3 5EMA Kd = 5.9 uM PRO ASP ASP ILE SEP THR VAL VAL n/a n/a
4 5EM9 Kd = 2.7 uM PRO GLU SEP LEU GLU SER CYS PHE n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5EMB - GLN GLU GLU TRP SEP THR VAL MET n/a n/a
2 5ELQ Kd = 2 uM ARG GLU ASP GLN GLU THR ALA VAL n/a n/a
3 5EMA Kd = 5.9 uM PRO ASP ASP ILE SEP THR VAL VAL n/a n/a
4 5EM9 Kd = 2.7 uM PRO GLU SEP LEU GLU SER CYS PHE 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 181 families.
1 5EMB - GLN GLU GLU TRP SEP THR VAL MET n/a n/a
2 5ELQ Kd = 2 uM ARG GLU ASP GLN GLU THR ALA VAL n/a n/a
3 5EMA Kd = 5.9 uM PRO ASP ASP ILE SEP THR VAL VAL n/a n/a
4 5EM9 Kd = 2.7 uM PRO GLU SEP LEU GLU SER CYS PHE n/a n/a
5 5OVV Kd = 33 uM ACE ILE GLU SER THR GLU ILE n/a n/a
6 1RZX Kd = 80 uM ACE VAL LYS GLU SER LEU VAL n/a n/a
7 5I7Z - LEU PRO PRO GLU GLU ARG LEU ILE n/a n/a
8 1Q3P - GLU ALA GLN THR ARG LEU n/a n/a
9 6EXJ Kd = 47 uM ACE ASP LEU GLN THR SER ILE n/a n/a
10 5OVP Kd = 9.1 uM ACE GLN LEU VAL THR SER LEU n/a n/a
11 3O5N Ki = 17.2 uM BR0 C14 H12 N2 O6 c1cc(c2c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG GLU ASP GLN GLU THR ALA VAL; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG GLU ASP GLN GLU THR ALA VAL 1 1
2 ARG ARG ARG GLU THR GLN VAL 0.49505 0.803922
3 ACE PRO GLN GLN ALA THR ASP ASP 0.473214 0.677966
4 LYS GLN THR SER VAL 0.472527 0.909091
5 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.471264 0.886364
6 SER SER ARG THR ARG ARG GLU GLU GLN LEU 0.465116 0.833333
7 ACE ASP LEU GLN THR SER ILE 0.457143 0.851064
8 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.455357 0.788462
9 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.446429 0.791667
10 ALA SER ASN GLU ASN ALA GLU THR MET 0.445455 0.784314
11 ALA SER ASN GLU ASP MET GLU THR MET 0.444444 0.784314
12 GLU VAL 0.441558 0.804878
13 ACE ASP GLU VAL ASP 0QE 0.43617 0.840909
14 THR LYS ASN TYR LYS GLN THR SER VAL 0.435484 0.759259
15 ACE GLU ALA GLN THR ARG LEU 0.433628 0.769231
16 ALA GLU ASP ASP VAL GLU 0.430108 0.880952
17 VAL THR THR ASP ILE GLN VAL LYS VAL 0.429825 0.87234
18 GLU ALA THR GLN LEU MET ASN 0.428571 0.851064
19 ACE THR GLU ASP VAL VAL CYS CYS 0.427184 0.886364
20 THR LEU ILE ASP LEU THR GLU LEU ILE 0.425926 0.930233
21 SER SER ARG THR ARG ARG GLU TPO GLN LEU 0.425743 0.78
22 ACE PRO VAL GLN GLU THR NH2 0.422018 0.689655
23 GLU ALA GLN THR ARG LEU 0.417391 0.784314
24 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.417323 0.754717
25 LYS MET ASN THR GLN PHE THR ALA VAL 0.415385 0.745455
26 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.414894 0.813953
27 PRO THR SER SER GLU GLN ILE 0.410714 0.740741
28 THR ASN GLU TYR TYR VAL 0.407767 0.76
29 ALA SER ASN GLU ASN MET GLU THR MET 0.407407 0.784314
30 ACE ILE GLU SER THR GLU ILE 0.405941 0.847826
31 THR ARG ARG GLU THR GLN LEU 0.405405 0.788462
32 ALA ARG THR M3L GLN THR ALA ARG 0.405172 0.66129
33 MET ASN GLU ASN ILE 0.404255 0.8
34 ASP ALA ASP GLU GLU ASP PHE 0.403846 0.8
35 ALA THR ALA ALA ALA THR GLU ALA TYR 0.40367 0.829787
36 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.403361 0.784314
37 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.40146 0.740741
38 ALA ILE GLU THR ASA 0.4 0.906977
39 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.4 0.719298
40 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG GLU ASP GLN GLU THR ALA VAL; 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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