Receptor
PDB id Resolution Class Description Source Keywords
1BE9 1.82 Å NON-ENZYME: OTHER THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 IN COM A C-TERMINAL PEPTIDE DERIVED FROM CRIPT. RATTUS NORVEGICUS PEPTIDE RECOGNITION PROTEIN LOCALIZATION
Ref.: CRYSTAL STRUCTURES OF A COMPLEXED AND PEPTIDE-FREE PROTEIN-BINDING DOMAIN: MOLECULAR BASIS OF PEPTIDE RECOGNITION BY PDZ. CELL(CAMBRIDGE,MASS.) V. 85 1067 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS GLN THR SER VAL B:5;
 Valid;
 none;
 submit data
504.541 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HFF 1.75 Å NON-ENZYME: OTHER THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (G330T DOUBLE MUTANT) IN COMPLEX WITH A MUTANT C-TERMINAL PEPTIDE F ROM CRIPT (T-2F) RATTUS NORVEGICUS PDZ GLGF DHR ADHESION SYNAPSE SYNAPTIC DENSITY PEPTIDEDOMAIN PEPTIDE BINDING PROTEIN
Ref.: ORIGINS OF ALLOSTERY AND EVOLVABILITY IN PROTEINS: STUDY. CELL(CAMBRIDGE,MASS.) V. 166 468 2016
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5HFB Kd = 26.9 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
2 5HEB Kd = 0.8 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
3 1BE9 - LYS GLN THR SER VAL n/a n/a
4 5HED Kd = 36 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
5 5HFF Kd = 0.5 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
6 5HF1 Kd = 1.8 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
7 5HFC Kd = 1.9 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
8 5HEY Kd = 2.2 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5HFB Kd = 26.9 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
2 5HEB Kd = 0.8 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
3 1BE9 - LYS GLN THR SER VAL n/a n/a
4 5HED Kd = 36 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
5 5HFF Kd = 0.5 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
6 5HF1 Kd = 1.8 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
7 5HFC Kd = 1.9 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
8 5HEY Kd = 2.2 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5HFB Kd = 26.9 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
2 5HEB Kd = 0.8 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
3 1BE9 - LYS GLN THR SER VAL n/a n/a
4 5HED Kd = 36 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
5 5HFF Kd = 0.5 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
6 5HF1 Kd = 1.8 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
7 5HFC Kd = 1.9 uM THR LYS ASN TYR LYS GLN PHE SER VAL n/a n/a
8 5HEY Kd = 2.2 uM THR LYS ASN TYR LYS GLN THR SER VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LYS GLN THR SER VAL; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLN THR SER VAL 1 1
2 ARG ARG ARG GLU THR GLN VAL 0.621951 0.807692
3 ACE ASP LEU GLN THR SER ILE 0.534091 0.934783
4 ACE GLN LEU VAL THR SER LEU 0.53012 0.955556
5 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.527778 0.931818
6 ASN SER THR LEU GLN 0.52439 0.933333
7 VAL THR SER VAL VAL 0.514286 0.883721
8 ALA SER ASN GLU ASN MET GLU THR MET 0.505618 0.823529
9 THR LYS ASN TYR LYS GLN THR SER VAL 0.495327 0.796296
10 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.494845 0.792453
11 ACE ILE GLU SER THR GLU ILE 0.493976 0.891304
12 ALA GLU THR PHE 0.487805 0.826087
13 ALA SER ASN GLU ASP MET GLU THR MET 0.483871 0.823529
14 LYS LEU VAL GLN LEU LEU THR THR THR 0.483516 0.893617
15 VAL THR THR ASP ILE GLN VAL LYS VAL 0.479592 0.875
16 PRO THR SER SER GLU GLN ILE 0.473684 0.777778
17 ARG GLU ASP GLN GLU THR ALA VAL 0.472527 0.909091
18 SER THR SER ALA 0.472222 0.906977
19 ALA SER ASN GLU ASN ALA GLU THR MET 0.46875 0.823529
20 ALA ARG THR MLY GLN 0.462366 0.672131
21 ALA SER ASN GLU ASN ILE GLU THR MET 0.459184 0.807692
22 GLU GLU ILE ASP VAL VAL SER VAL 0.456522 0.913043
23 ALA ARG THR M3L GLN THR ALA ARG 0.45 0.666667
24 ALA SER VAL SER ALA 0.444444 0.883721
25 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.435644 0.895833
26 ALA ARG THR ALY GLN THR ALA 0.43299 0.727273
27 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.43299 0.650794
28 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.428571 0.650794
29 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.428571 0.75
30 GLY SER TYR LEU VAL THR SER VAL 0.428571 0.788462
31 VAL SER GLN ASN LOV ILE VAL 0.427184 0.895833
32 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.424242 0.672131
33 THR ARG ARG GLU THR GLN LEU 0.42268 0.792453
34 GLN ARG SER THR SEP THR 0.421569 0.724138
35 ALA ILE PHE GLN SER SER MET THR LYS 0.421053 0.75
36 ALA 2MR THR MLY GLN THR ALA ALA 0.420561 0.688525
37 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.42 0.672414
38 ALA ARG THR MLY GLN THR ALA ARG LYS 0.42 0.655738
39 ALA GLU ASP ASP VAL GLU 0.419753 0.8
40 ALA ILE GLU THR ASA 0.418605 0.866667
41 SAC ARG GLY THR GLN THR GLU 0.417476 0.792453
42 ILE THR ASP GLN VAL PRO PHE SER VAL 0.416 0.693548
43 THR ILE THR SER 0.413333 0.888889
44 GLU GLN TYR LYS PHE TYR SER VAL 0.412844 0.763636
45 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.412844 0.666667
46 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.411765 0.671875
47 ALA LYS ALA SER GLN ALA ALA 0.411111 0.847826
48 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.405172 0.666667
49 ALA ARG THR LYS GLN THR ALA ARG LYS 0.403846 0.754717
50 ALA ARG 9AT 0.402597 0.745098
51 ILE GLN GLN SER ILE GLU ARG ILE 0.401961 0.740741
52 ALA SER ASN GLU HIS MET GLU THR MET 0.401786 0.7
53 ARG GLN ALA SEP LEU SER ILE SER VAL 0.401709 0.7
54 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.4 0.646154
55 ALA GLU THR PHE TYR VAL ASP GLY 0.4 0.784314
56 THR LYS ASN TYR LYS GLN PHE SER VAL 0.4 0.781818
Similar Ligands (3D)
Ligand no: 1; Ligand: LYS GLN THR SER VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback