Receptor
PDB id Resolution Class Description Source Keywords
5EMA 1.32 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SNX27 PDZ DOMAIN BOUND TO THE PHOSP C-TERMINAL LRRC3B 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 ASP ASP ILE SEP THR VAL VAL B:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.111;
 Kd = 5.9 uM
822.739 n/a P(=O)...
GOL A:201;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(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: PRO ASP ASP ILE SEP THR VAL VAL; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO ASP ASP ILE SEP THR VAL VAL 1 1
2 VAL THR THR ASP ILE GLN VAL LYS VAL 0.439655 0.736842
3 GLU GLU ILE ASP VAL VAL SER VAL 0.431193 0.763636
4 MET ASN TYR ASP ILE 0.414141 0.649123
5 GLN ARG SER THR SEP THR 0.403361 0.786885
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO ASP ASP ILE SEP THR VAL 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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