Receptor
PDB id Resolution Class Description Source Keywords
1OBY 1.85 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE COMPLEX OF PDZ2 OF SYNTENIN WITH A SYNDECAN-4 PEPTIDE. HOMO SAPIENS CELL ADHESION ADHESION/COMPLEX PDZ DOMAIN SIGNAL TRANSDUCTION NUCLEAR PROTEIN
Ref.: MOLECULAR ROOTS OF DEGENERATE SPECIFICITY IN SYNTENIN'S PDZ2 DOMAIN: REASSESSMENT OF THE PDZ RECOGNITION PARADIGM STRUCTURE V. 11 845 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1271;
A:1272;
B:1271;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
THR ASN GLU PHE TYR ALA P:2;
Q:1;
Valid;
Valid;
none;
none;
Kd = 2.3 uM
742.763 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OBX 1.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE COMPLEX OF PDZ2 OF SYNTENIN WITH AN INTERLEUKIN 5 RECEPTOR ALPHA PEPTIDE. HOMO SAPIENS CELL ADHESION ADHESION/COMPLEX PDZ DOMAIN SIGNAL TRANSDUCTION NUCLEAR PROTEIN
Ref.: MOLECULAR ROOTS OF DEGENERATE SPECIFICITY IN SYNTENIN'S PDZ2 DOMAIN: REASSESSMENT OF THE PDZ RECOGNITION PARADIGM STRUCTURE V. 11 845 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1OBX Kd = 1.9 uM GLU THR LEU GLU ASP SER VAL PHE n/a n/a
2 1OBY Kd = 2.3 uM THR ASN GLU PHE TYR ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1OBX Kd = 1.9 uM GLU THR LEU GLU ASP SER VAL PHE n/a n/a
2 1OBY Kd = 2.3 uM THR ASN GLU PHE TYR ALA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1OBX Kd = 1.9 uM GLU THR LEU GLU ASP SER VAL PHE n/a n/a
2 1OBY Kd = 2.3 uM THR ASN GLU PHE TYR ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR ASN GLU PHE TYR ALA; Similar ligands found: 145
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU PHE TYR ALA 1 1
2 THR TYR LYS PHE PHE GLU GLN 0.69 0.849057
3 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.69 0.849057
4 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.652542 0.857143
5 THR ASN GLU PHE TYR PHE 0.618557 0.895833
6 GLU ASN LEU TYR PHE GLN 0.59434 0.901961
7 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.587629 0.877551
8 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.586777 0.90566
9 ASP PHE GLU ASP TYR GLU PHE ASP 0.582524 0.857143
10 SER SER ARG LYS GLU TYR TYR ALA 0.575472 0.716667
11 GLU ASN GLN LYS GLU TYR PHE PHE 0.574074 0.811321
12 THR LYS ASN TYR LYS GLN PHE SER VAL 0.566372 0.872727
13 ALA GLU THR PHE TYR VAL ASP GLY 0.558559 0.938776
14 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.554545 0.9375
15 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.545455 0.901961
16 SER HIS PHE ASN GLU TYR GLU 0.544715 0.779661
17 THR ASN GLU PHE ALA PHE 0.539216 0.8125
18 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.538462 0.796296
19 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.53719 0.851852
20 THR ASN GLU TYR TYR VAL 0.534653 0.918367
21 ALA VAL TYR ASN PHE ALA THR MET 0.533333 0.854545
22 THR ASN LEU TYR MET LEU 0.530973 0.818182
23 THR PHE LYS LYS THR ASN 0.528302 0.811321
24 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.525926 0.786885
25 VAL ASN ASP ILE PHE GLU ALA ILE 0.525424 0.803922
26 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.52459 0.833333
27 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.521008 0.884615
28 ASP ALA ASP GLU TYR LEU 0.518519 0.84
29 SER GLN TYR TYR TYR ASN SER LEU 0.513761 0.90566
30 THR ASN GLU TYR LYS VAL 0.513761 0.811321
31 GLY ASN TYR SER PHE TYR ALA LEU 0.508772 0.836364
32 ASP PHE GLU GLU ILE 0.504854 0.705882
33 GLU GLN TYR LYS PHE TYR SER VAL 0.504274 0.821429
34 ILE ASN PHE ASP PHE ASN THR ILE 0.5 0.9
35 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.5 0.773585
36 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.5 0.82
37 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.495935 0.762712
38 SER ILE ILE ASN PHE GLU LYS LEU 0.495868 0.736842
39 ALA GLU THR PHE 0.49 0.833333
40 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.489209 0.824561
41 LYS ALA VAL TYR ASN PHE ALA THR MET 0.488372 0.827586
42 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.488372 0.725806
43 ACE VAL PHE PHE ALA GLU ASP NH2 0.486239 0.77551
44 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.485714 0.761905
45 SER GLN ASN TYR 0.485149 0.862745
46 GLU ILE ILE ASN PHE GLU LYS LEU 0.483607 0.696429
47 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.483607 0.886792
48 THR LYS ASN TYR LYS GLN THR SER VAL 0.483607 0.821429
49 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.483333 0.87037
50 LYS ALA LEU TYR ASN PHE ALA THR MET 0.480916 0.827586
51 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.472441 0.681818
52 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.469565 0.88
53 LEU GLU PHE GLN GLY 0.46789 0.654545
54 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.467213 0.745455
55 TYR GLN PHE 0.465347 0.854167
56 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.464567 0.821429
57 VAL GLN GLN GLU SER SER PHE VAL MET 0.462185 0.706897
58 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.460317 0.818182
59 GLU VAL TYR GLU SER 0.458716 0.788462
60 LEU THR GLU PTR VAL ALA THR ARG 0.458716 0.77193
61 THR TYR PHE ALA VAL LEU MET VAL SER 0.458015 0.754386
62 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.457627 0.721311
63 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.456693 0.833333
64 ACE ILE TYR GLU SER LEU 0.455357 0.796296
65 GLU THR PHE TYR VAL ASP GLY 0.454545 0.867925
66 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.454545 0.728814
67 THR PRO ASP TYR PHE LEU 0.452174 0.728814
68 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.45082 0.754386
69 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.449541 0.74
70 ARG GLN ALA ASN PHE LEU GLY LYS 0.448276 0.690909
71 GLU GLU GLN GLU GLU TYR 0.447917 0.77551
72 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.447368 0.727273
73 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.447154 0.634921
74 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.444444 0.737705
75 LYS MET ASN THR GLN PHE THR ALA VAL 0.442748 0.728814
76 GLU VAL ASN 1OL ALA GLU PHE 0.44186 0.788462
77 ALA ARG THR GLU LEU TYR ARG SER LEU 0.44186 0.725806
78 PHE LEU ALA TYR LYS 0.439655 0.759259
79 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.439394 0.818182
80 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.439394 0.849057
81 ASP ALA GLU PHE ARG HIS ASP 0.439024 0.609375
82 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.4375 0.745455
83 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.437037 0.793103
84 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.43609 0.716667
85 FME TYR PHE ILE ASN ILE LEU THR LEU 0.43609 0.857143
86 SER ASP TYR GLN ARG LEU 0.435897 0.7
87 GLU LEU ASP LYS TYR ALA SER 0.434426 0.767857
88 LYS ALA VAL PHE ASN PHE ALA THR MET 0.434109 0.775862
89 ALA THR ALA ALA ALA THR GLU ALA TYR 0.433628 0.916667
90 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.432432 0.701493
91 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.432 0.792453
92 PHE ARG TYR LEU GLY 0.429752 0.704918
93 ALA ALA TRP LEU PHE GLU ALA 0.429688 0.678571
94 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.428571 0.686567
95 ARG TYR GLY PHE VAL ALA ASN PHE 0.428571 0.766667
96 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.427586 0.666667
97 ASP ALA GLU PHE ARG HIS ASP SER 0.427481 0.609375
98 ALA TRP LEU PHE GLU ALA 0.427419 0.678571
99 PHE LEU SER TYR LYS 0.42735 0.785714
100 ACE PHE ALA TYR M3L SER NH2 0.42623 0.661538
101 GLY ASN PHE LEU GLN SER ARG 0.425197 0.677419
102 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.422535 0.636364
103 THR PHE GLN ALA PSA LEU ARG GLU 0.422535 0.709677
104 GLU THR VAL ARG PHE GLN SER ASP 0.422222 0.7
105 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.421875 0.606557
106 ARG ABA GLN ILE PHE ALA ASN ILE 0.421875 0.722222
107 ALA GLN PHE SER ALA SER ALA SER ARG 0.420168 0.694915
108 CYS THR PHE LYS THR LYS THR ASN 0.418803 0.781818
109 CYS ASP PTR ALA ASN PHE LYS 0.41791 0.714286
110 ACE ASN TRP GLU THR PHE 0.416667 0.836364
111 SER LEU PHE ASN THR VAL ALA THR LEU 0.416 0.773585
112 SER LEU TYR ASN THR VAL ALA THR LEU 0.416 0.830189
113 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.414815 0.612903
114 SEP GLN GLU TYR NH2 0.414414 0.711864
115 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.413793 0.723077
116 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.413333 0.638889
117 SER LEU TYR ASN THR ILE ALA THR LEU 0.412698 0.833333
118 ALA THR ARG ASN PHE SER GLY 0.412698 0.7
119 SER LEU TYR ASN VAL VAL ALA THR LEU 0.412698 0.830189
120 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.412281 0.666667
121 ASP PHE M3L THR ASP 0.411765 0.666667
122 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.410256 0.712121
123 THR LYS CYS VAL PHE MET 0.409836 0.677966
124 SER GLU ILE GLU PHE ALA ARG LEU 0.409091 0.645161
125 SER PHE ALA ASN GLY 0.409091 0.735849
126 PHE LEU GLU LYS 0.409091 0.648148
127 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.408696 0.84
128 THR PHE ALY SER ILE MET LYS 0.408333 0.672414
129 GLY GLY LYS LYS LYS TYR GLN LEU 0.408333 0.719298
130 ILE ASP TRP PHE GLU GLY LYS GLU 0.407143 0.619048
131 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.406667 0.632353
132 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.406015 0.683333
133 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.404762 0.727273
134 PHE TYR ARG ALA LEU MET 0.40458 0.65625
135 ALA SER ASN GLU ASN TRP GLU THR MET 0.402985 0.714286
136 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.402778 0.709677
137 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.402597 0.619718
138 VAL VAL SER HIS PHE ASN ASP 0.401575 0.728814
139 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.401408 0.612903
140 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.401361 0.661972
141 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.4 0.692308
142 SER SER ILE GLU PHE ALA ARG LEU 0.4 0.66129
143 ACE LEU PHE PHE GLK CF0 GLU 0.4 0.685185
144 SER LEU PHE ASN THR ILE ALA VAL LEU 0.4 0.777778
145 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.4 0.661538
Similar Binding Sites (Proteins are less than 50% similar to leader)
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