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 1256 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 1068 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 922 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
Ligand no: 1; Ligand: LYS GLN THR SER VAL; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLN THR SER VAL 1 1
2 ARG ARG ARG GLU THR GLN VAL 0.573171 0.803922
3 THR LYS ASN TYR LYS GLN THR SER VAL 0.55 0.796296
4 ASP GLU VAL THR SER THR THR SER SER SER 0.532468 0.906977
5 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.527778 0.886364
6 ASN SER THR LEU GLN 0.52439 0.933333
7 ALA SER ASN GLU ASN MET GLU THR MET 0.522727 0.823529
8 VAL THR SER VAL VAL 0.514286 0.860465
9 ARG GLU ASP GLN GLU THR ALA VAL 0.511364 0.909091
10 ALA ARG THR MLY GLN 0.505618 0.672131
11 ALA SER ASN GLU ASP MET GLU THR MET 0.5 0.823529
12 ALA GLU THR PHE 0.5 0.804348
13 SER PRO SER ILE 0.492537 0.8
14 VAL THR THR ASP ILE GLN VAL LYS VAL 0.489583 0.854167
15 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.489583 0.792453
16 ALA SER ASN GLU ASN ALA GLU THR MET 0.484211 0.823529
17 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.483871 0.895833
18 THR LYS ASN TYR LYS GLN PHE SER VAL 0.480392 0.781818
19 LYS LEU VAL GLN LEU LEU THR THR THR 0.477778 0.87234
20 ALA SER ASN GLU ASN ILE GLU THR MET 0.474227 0.807692
21 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.473684 0.672131
22 ALA ARG THR MLY GLN THR ALA 0.473684 0.672131
23 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.465909 0.75
24 ALA ARG THR M3L GLN THR ALA ARG 0.464646 0.666667
25 ALA ARG THR ALY GLN THR ALA 0.463158 0.727273
26 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.458333 0.650794
27 PRO THR SER SER GLU GLN ILE 0.458333 0.777778
28 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.458333 0.650794
29 ALA ARG THR M3L GLN THR ALA 0.458333 0.650794
30 GLU GLU ILE ASP VAL VAL SER VAL 0.456522 0.891304
31 ALA ARG THR M3L GLN THR ALA ARG LYS 0.453608 0.650794
32 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.453608 0.672414
33 ALA ILE PHE GLN SER SER MET THR LYS 0.45045 0.75
34 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.44898 0.754717
35 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.448598 0.792453
36 ALA 2MR THR MLY GLN THR ALA ALA 0.447619 0.688525
37 ALA SER VAL SER ALA 0.444444 0.860465
38 ALA ARG THR LYS GLN THR ALA ARG 0.444444 0.754717
39 ALA ARG THR LYS GLN THR ALA ARG LYS 0.444444 0.754717
40 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.442308 0.706897
41 GLU GLN TYR LYS PHE TYR SER VAL 0.442308 0.763636
42 ALA ARG THR MLY GLN THR ALA ARG LYS 0.436893 0.672131
43 GLN ARG SER THR SEP THR 0.434343 0.724138
44 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.433962 0.666667
45 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.431579 0.655738
46 ALA ILE GLU THR ASA 0.430233 0.844444
47 VAL SER GLN ASN LOV ILE VAL 0.427184 0.895833
48 THR ARG ARG GLU THR GLN LEU 0.427083 0.792453
49 THR THR THR THR THR THR THR 0.421875 0.72093
50 ALA THR VAL ARG THR TYR SER CYS 0.420561 0.724138
51 ALA LYS ALA SER GLN ALA ALA 0.420455 0.847826
52 ALA GLU ASP ASP VAL GLU 0.419753 0.777778
53 ALA LEU GLY ILE GLY ILE LEU THR VAL 0.419355 0.829787
54 ILE THR ASP GLN VAL PRO PHE SER VAL 0.416 0.693548
55 ASP GLU THR ASN LEU 0.41573 0.869565
56 ALA SER ASN GLU HIS MET GLU THR MET 0.414414 0.7
57 ALA GLU THR PHE TYR VAL ASP GLY 0.413462 0.764706
58 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.41 0.685185
59 ALA SER ASN GLU ASN TRP GLU THR MET 0.408696 0.688525
60 GLU ALA GLN THR ARG LEU 0.405941 0.788462
61 SER LEU LYS LEU MET THR THR VAL 0.404255 0.803922
62 GLN SER TYR TPO VAL 0.40404 0.754386
63 ALA ARG THR GLU LEU TYR ARG SER LEU 0.403509 0.728814
64 THR ILE THR SER 0.402597 0.866667
65 ILE GLN GLN SER ILE GLU ARG ILE 0.401961 0.740741
66 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.4 0.650794
67 SAC ARG GLY THR GLN THR GLU 0.4 0.792453
Similar Binding Sites (Proteins are less than 50% similar to leader)
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