Receptor
PDB id Resolution Class Description Source Keywords
5EM9 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SNX27 PDZ DOMAIN BOUND TO THE PHOSP C-TERMINAL 5HT4(A)R 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
PRO GLU SEP LEU GLU SER CYS PHE B:382;
 Valid;
 Atoms found LESS than expected: % Diff = 0.239;
 Kd = 2.7 uM
760.715 n/a SCC(N...
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: PRO GLU SEP LEU GLU SER CYS PHE; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO GLU SEP LEU GLU SER CYS PHE 1 1
2 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.52 0.734375
3 ALA LEU ASP LEU PHE 0.510204 0.672727
4 ACE SER LEU ASN PHE 0.504762 0.77193
5 VAL TYR ARG SER LEU SEP PHE GLU 0.504132 0.963636
6 THR ASN GLU PHE ALA PHE 0.486239 0.637931
7 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.482143 0.816667
8 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.481481 0.734375
9 PHE GLU ASP LEU ARG VAL SER SER PHE 0.481481 0.734375
10 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.474138 0.639344
11 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.46281 0.666667
12 SER GLY ILE PHE LEU GLU THR SER 0.46281 0.807018
13 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.460938 0.779661
14 CYS THR GLU LEU LYS LEU SER ASP TYR 0.455224 0.758065
15 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.452555 0.741935
16 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.451852 0.677419
17 PHE LEU GLU LYS 0.451327 0.689655
18 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.443662 0.894737
19 SEP GLN GLU PTR 0.443478 0.783333
20 ACE LEU PHE 0.443299 0.607143
21 GLY ASN PHE LEU GLN SER ARG 0.442748 0.734375
22 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.439655 0.701754
23 HIS LEU TYR PHE SER SEP ASN 0.438849 0.768116
24 ASP ALA ASP GLU GLU ASP PHE 0.4375 0.666667
25 LEU ALA SER LEU GLU SER GLN SER 0.4375 0.767857
26 VAL GLN GLN GLU SER SER PHE VAL MET 0.436508 0.79661
27 GLU LEU ASP 1OL VAL GLU PHE 0.43609 0.689655
28 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.435714 0.707692
29 GLU THR LEU GLU ASP SER VAL PHE 0.435185 0.781818
30 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.433824 0.793103
31 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.430769 0.714286
32 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.430657 0.661538
33 ACE MET GLU GLU VAL PHE 0.426087 0.65
34 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.425532 0.666667
35 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.423358 0.725806
36 ALA GLU THR PHE 0.422018 0.714286
37 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.419847 0.733333
38 GLY GLU GLU GLU GLY GLU CYS TYR 0.418803 0.629032
39 PHE ASN GLU LEU SER HIS LEU 0.416667 0.6875
40 GLU VAL ASN 1OL ALA GLU PHE 0.416058 0.694915
41 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.416058 0.730159
42 ACE PHE ASP GLU MET GLU GLU CYS 0.415254 0.683333
43 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.413793 0.84127
44 ACE ILE TYR GLU SER LEU 0.413223 0.733333
45 GLU ASN LEU TYR PHE GLN 0.412698 0.650794
46 GLU LEU LYS TPO GLU ARG TYR 0.412587 0.764706
47 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.412162 0.671429
48 TYR PHE SER SEP ASN 0.41129 0.774194
49 PHE LEU SER TYR LYS 0.408 0.6875
50 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.407407 0.686567
51 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.406667 0.637681
52 ACE GLN ALC ASP LEU PHE 0.40625 0.639344
53 SER ILE ILE ASN PHE GLU LYS LEU 0.404412 0.766667
54 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.404255 0.779661
55 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.402878 0.712121
56 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.401515 0.640625
57 ARG VAL LEU PHE GLU ALA MET 0.4 0.626866
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO GLU SEP LEU GLU SER CYS PHE; 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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