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 PEPTIDE. HOMO SAPIENS CELL ADHESION ADHESION-COMPLEX PDZ DOMAIN SIGNAL TRANSDUCNUCLEAR PROTEIN
Ref.: MOLECULAR ROOTS OF DEGENERATE SPECIFICITY IN SYNTEN DOMAIN: REASSESSMENT OF THE PDZ RECOGNITION PARADIG 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 TRANSDUCNUCLEAR PROTEIN
Ref.: MOLECULAR ROOTS OF DEGENERATE SPECIFICITY IN SYNTEN DOMAIN: REASSESSMENT OF THE PDZ RECOGNITION PARADIG 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 289 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 214 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 181 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 (2D)
Ligand no: 1; Ligand: THR ASN GLU PHE TYR ALA; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU PHE TYR ALA 1 1
2 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.649573 0.857143
3 THR ASN GLU PHE TYR PHE 0.621053 0.916667
4 GLU ASN LEU TYR PHE GLN 0.588785 0.901961
5 ASP PHE GLU ASP TYR GLU PHE ASP 0.588235 0.862745
6 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.580357 0.884615
7 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.578512 0.90566
8 GLU ASN GLN LYS GLU TYR PHE PHE 0.564815 0.814815
9 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.564815 0.9375
10 SER HIS PHE ASN GLU TYR GLU 0.561983 0.779661
11 ALA GLU THR PHE TYR VAL ASP GLY 0.54955 0.959184
12 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.540984 0.901961
13 THR ASN GLU PHE ALA PHE 0.54 0.833333
14 THR ASN GLU TYR TYR VAL 0.535354 0.938776
15 THR LYS ASN TYR LYS GLN PHE SER VAL 0.529915 0.872727
16 ALA VAL TYR ASN PHE ALA THR MET 0.529412 0.854545
17 SER SER ARG LYS GLU TYR TYR ALA 0.526786 0.716667
18 THR ASN LEU TYR MET LEU 0.526786 0.818182
19 ASP ALA ASP GLU TYR LEU 0.518519 0.86
20 GLY ASN TYR SER PHE TYR ALA LEU 0.517857 0.836364
21 VAL ASN ASP ILE PHE GLU ALA ILE 0.516949 0.803922
22 THR PHE LYS LYS THR ASN 0.514019 0.796296
23 THR ASN GLU TYR LYS VAL 0.513761 0.814815
24 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.512605 0.814815
25 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.512195 0.87037
26 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.510949 0.786885
27 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.508065 0.851852
28 ASP PHE GLU GLU ILE 0.5 0.72549
29 SER GLN TYR TYR TYR ASN SER LEU 0.5 0.90566
30 ILE ASN PHE ASP PHE ASN THR ILE 0.5 0.9
31 SER GLY ILE PHE LEU GLU THR SER 0.495575 0.777778
32 GLU GLN TYR LYS PHE TYR SER VAL 0.491667 0.821429
33 SER ILE ILE ASN PHE GLU LYS LEU 0.487805 0.736842
34 ASP ALA ASP GLU GLU ASP PHE 0.485437 0.795918
35 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.484615 0.725806
36 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.483333 0.87037
37 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.481818 0.86
38 GLU ILE ILE ASN PHE GLU LYS LEU 0.479675 0.684211
39 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.479339 0.814815
40 CYS ASP PTR ALA ASN PHE LYS 0.475248 0.716981
41 SER GLN ASN TYR 0.475248 0.862745
42 TYR GLN PHE 0.474747 0.854167
43 LEU GLU PHE GLN GLY 0.472222 0.654545
44 LYS ALA VAL TYR ASN PHE ALA THR MET 0.472 0.818182
45 ACE ASN TRP GLU THR PHE 0.471545 0.836364
46 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.471074 0.763636
47 ALA GLU THR PHE 0.47 0.854167
48 SER LEU ARG PHE LEU TYR GLU GLY 0.468254 0.741935
49 ACE VAL PHE PHE ALA GLU ASP NH2 0.46789 0.795918
50 ASP ALA GLU PHE ARG HIS ASP 0.466102 0.637931
51 ACE PHE ALA TYR M3L SER NH2 0.464912 0.692308
52 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.464567 0.821429
53 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.464567 0.681818
54 GLU THR PHE TYR VAL ASP GLY 0.462185 0.886792
55 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.459459 0.754717
56 THR LYS ASN TYR LYS GLN THR SER VAL 0.456693 0.821429
57 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.456 0.833333
58 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.455172 0.723077
59 VAL GLN GLN GLU SER SER PHE VAL MET 0.453782 0.706897
60 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.452174 0.88
61 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.451613 0.886792
62 GLU VAL TYR GLU SER 0.449541 0.807692
63 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.442748 0.849057
64 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.442623 0.650794
65 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.44186 0.818182
66 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.440945 0.818182
67 ASP GLU PTR GLU ASN VAL ASP 0.440678 0.758621
68 ARG GLN ALA ASN PHE LEU GLY LYS 0.439655 0.690909
69 FME TYR PHE ILE ASN ILE LEU THR LEU 0.439394 0.857143
70 THR PRO ASP TYR PHE LEU 0.438596 0.733333
71 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.438462 0.763636
72 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.437037 0.810345
73 PHE LEU ALA TYR LYS 0.435897 0.763636
74 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.435484 0.77193
75 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.435484 0.796296
76 PHE ARG TYR LEU GLY 0.433333 0.704918
77 ACE PHE ASP GLU MET GLU GLU CYS 0.432432 0.649123
78 SEP GLN GLU TYR NH2 0.431193 0.711864
79 GLU VAL ASN 1OL ALA GLU PHE 0.430769 0.788462
80 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.430556 0.681818
81 ACE ILE TYR GLU SER LEU 0.429825 0.796296
82 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.42963 0.716667
83 ALA THR ALA ALA ALA THR GLU ALA TYR 0.428571 0.9375
84 GLU GLU GLN GLU GLU TYR 0.428571 0.795918
85 ALA ARG THR GLU LEU TYR ARG SER LEU 0.427481 0.725806
86 GLU LEU ASP LYS TYR ALA SER 0.427419 0.785714
87 CYS THR PHE LYS THR LYS THR ASN 0.42735 0.781818
88 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.426667 0.741935
89 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.426471 0.793103
90 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.425532 0.651515
91 ARG TYR GLY PHE VAL ALA ASN PHE 0.425373 0.766667
92 LYS MET ASN THR GLN PHE THR ALA VAL 0.425373 0.716667
93 GLY ASN PHE LEU GLN SER ARG 0.425197 0.677419
94 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.424 0.75
95 PHE LEU SER TYR LYS 0.423729 0.803571
96 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.423423 0.728814
97 ACE LEU PHE PHE GLK CF0 GLU 0.423077 0.75
98 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.422819 0.691176
99 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.421053 0.672414
100 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.418919 0.686567
101 ALA ALA TRP LEU PHE GLU ALA 0.418605 0.696429
102 KI2 PHE GLU GLU NH2 0.417391 0.745455
103 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.417266 0.716418
104 ALA TRP LEU PHE GLU ALA 0.416 0.696429
105 TYR PHE SER SEP ASN 0.415254 0.745763
106 ASP PHE M3L THR ASP 0.415254 0.68254
107 SER ASP TYR GLN ARG LEU 0.415254 0.7
108 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.415254 0.745455
109 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.414634 0.721311
110 ARG ABA GLN ILE PHE ALA ASN ILE 0.414062 0.722222
111 ASP ALA GLU PHE ARG HIS ASP SER 0.413534 0.609375
112 SER LEU TYR ASN THR VAL ALA THR LEU 0.412698 0.830189
113 SER LEU PHE ASN THR VAL ALA THR LEU 0.412698 0.773585
114 HIS LEU TYR PHE SER SEP ASN 0.411765 0.691176
115 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.410714 0.84
116 THR PHE GLN ALA PSA LEU ARG GLU 0.409722 0.709677
117 SER LEU TYR ASN VAL VAL ALA THR LEU 0.409449 0.830189
118 SER LEU TYR ASN THR ILE ALA THR LEU 0.409449 0.833333
119 LYS ALA VAL PHE ASN PHE ALA THR MET 0.408 0.763636
120 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.407407 0.619048
121 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.407143 0.629032
122 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.406667 0.647059
123 ALA THR PRO PHE GLN GLU 0.40625 0.634921
124 SER ILE ILE GLN PHE GLU HIS LEU 0.406015 0.693548
125 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.406015 0.737705
126 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.405797 0.692308
127 PHE LEU GLU LYS 0.405405 0.654545
128 GLY GLY LYS LYS LYS TYR GLN LEU 0.404959 0.719298
129 VAL VAL SER HIS PHE ASN ASP 0.404762 0.728814
130 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.403974 0.671642
131 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.403509 0.666667
132 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.402985 0.683333
133 TYR SER ALA 0.402062 0.784314
134 ALA GLN PHE SER ALA SER ALA SER ARG 0.401639 0.694915
135 PHE TYR ARG ALA LEU MET 0.401515 0.65625
136 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.401316 0.671642
137 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.4 0.709677
138 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.4 0.651515
139 ASP ILE ASN TYR TYR THR SER GLU PRO 0.4 0.716418
140 GLU THR VAL ARG PHE GLN SER ASP 0.4 0.683333
141 PHE GLU ALA ASN GLY ASN LEU ILE 0.4 0.745455
142 SER PHE ALA ASN GLY 0.4 0.735849
Similar Ligands (3D)
Ligand no: 1; Ligand: THR ASN GLU PHE TYR ALA; 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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