Receptor
PDB id Resolution Class Description Source Keywords
5EMB 0.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SNX27 PDZ DOMAIN BOUND TO THE C-TER PHOSPHORYLATED PTHR 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
GLN GLU GLU TRP SEP THR VAL MET B:587;
Valid;
none;
submit data
955.913 n/a S(CCC...
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: GLN GLU GLU TRP SEP THR VAL MET; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN GLU GLU TRP SEP THR VAL MET 1 1
2 ALA SER ASN GLU ASN TRP GLU THR MET 0.614815 0.84058
3 ACE ASN TRP GLU THR PHE 0.507143 0.714286
4 ASP TRP GLU ILE VAL 0.485294 0.691176
5 ACE GLU TRP TRP TRP 0.479675 0.6
6 SER LEU LEU MET TRP ILE THR GLN SER 0.477124 0.855072
7 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.476821 0.723684
8 TYR GLU TRP 0.472868 0.628571
9 SER LEU LEU MET TRP ILE THR GLN LEU 0.470588 0.855072
10 FME ASP VAL GLU ALA TRP LEU 0.467532 0.776119
11 SER LEU LEU MET TRP ILE THR GLN CYS 0.458599 0.855072
12 SER LEU LEU MET TRP ILE THR GLN ALA 0.455128 0.855072
13 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.453237 0.685714
14 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.446667 0.72
15 PRO ALA TRP ASP GLU THR ASN LEU 0.440994 0.739726
16 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.440252 0.764706
17 ASP ASN TRP GLN ASN GLY THR SER 0.437909 0.71831
18 THR SER THR THR SER VAL ALA SER SER TRP 0.43662 0.75
19 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.428571 0.615385
20 SER LEU LEU MET TRP ILE THR GLN VAL 0.428571 0.84058
21 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.420732 0.774648
22 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.420118 0.72973
23 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.419162 0.736842
24 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.417178 0.739726
25 GLY LEU MET TRP LEU SER TYR PHE VAL 0.416149 0.780822
26 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.414634 0.774648
27 ALA SER ASN GLU HIS MET GLU THR MET 0.413333 0.774648
28 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.412162 0.626667
29 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.410405 0.716216
30 VAL GLN GLN GLU SER SER PHE VAL MET 0.409722 0.735294
31 GLU ASP ASN ASP TRP ASN 0.409449 0.647059
32 TRP GLU GLU LEU 0.409091 0.701493
33 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.40678 0.717949
34 SER ARG TYR TRP ALA ILE ARG THR ARG 0.405882 0.683544
35 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.405594 0.657143
36 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.403727 0.666667
37 GLU LEU GLU LYS TRP ALA SER 0.402597 0.71831
38 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.402367 0.723684
39 MET ASN TRP ASN ILE 0.4 0.681159
40 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.4 0.736111
Similar Ligands (3D)
Ligand no: 1; Ligand: GLN GLU GLU TRP SEP THR VAL MET; 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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