Receptor
PDB id Resolution Class Description Source Keywords
4XHV 1.23 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DROSOPHILA SPINOPHILIN-PDZ AND A C-TERM PEPTIDE OF NEUREXIN DROSOPHILA MELANOGASTER SPINOPHILIN NEUREXIN PRAESYNAPTIC DENSITY SYNAPSE SIGNALPROTEIN
Ref.: PRESYNAPTIC SPINOPHILIN TUNES NEUREXIN SIGNALLING T ACTIVE ZONE ARCHITECTURE AND FUNCTION. NAT COMMUN V. 6 8362 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN B:1831;
Valid;
Atoms found MORE than expected: % Diff = 1.111;
Kd = 50 uM
1332.77 n/a O=C([...
EDO A:1401;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CL A:1402;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XHV 1.23 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DROSOPHILA SPINOPHILIN-PDZ AND A C-TERM PEPTIDE OF NEUREXIN DROSOPHILA MELANOGASTER SPINOPHILIN NEUREXIN PRAESYNAPTIC DENSITY SYNAPSE SIGNALPROTEIN
Ref.: PRESYNAPTIC SPINOPHILIN TUNES NEUREXIN SIGNALLING T ACTIVE ZONE ARCHITECTURE AND FUNCTION. NAT COMMUN V. 6 8362 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4XHV Kd = 50 uM ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4XHV Kd = 50 uM ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4XHV Kd = 50 uM ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN ; Similar ligands found: 163
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 1 1
2 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.656716 0.859375
3 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.605634 0.861538
4 THR ASN GLU TYR LYS VAL 0.601626 0.707692
5 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.594406 0.861538
6 ASP TRP GLU ILE VAL 0.59375 0.692308
7 ASP GLU ASP LYS TRP ASP ASP PHE 0.59375 0.761905
8 GLY LEU MET TRP LEU SER TYR PHE VAL 0.589041 0.811594
9 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.584507 0.859375
10 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.578947 0.890625
11 GLU GLN TYR LYS PHE TYR SER VAL 0.56391 0.828125
12 SER SER VAL VAL GLY VAL TRP TYR LEU 0.5625 0.875
13 GLU GLN ASP LYS TRP ALA SER 0.561151 0.828125
14 GLU ALA ASP LYS TRP GLN SER 0.561151 0.828125
15 THR LYS ASN TYR LYS GLN THR SER VAL 0.554745 0.8
16 GLU ASN ASP LYS TRP ALA SER 0.553957 0.815385
17 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.551948 0.776119
18 SER SER VAL ILE GLY VAL TRP TYR LEU 0.546667 0.861538
19 GLU LEU ASP LYS TRP ALA SER 0.542857 0.84375
20 ALA SER ASN GLU ASN TRP GLU THR MET 0.538462 0.757143
21 THR LYS ASN TYR LYS GLN PHE SER VAL 0.536765 0.815385
22 THR ASN GLU TYR TYR VAL 0.532787 0.676923
23 TYR GLU TRP 0.531746 0.730159
24 TRP GLU TYR ILE PRO ASN VAL 0.531646 0.756757
25 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.529851 0.753846
26 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.527273 0.852941
27 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.527273 0.706667
28 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.526316 0.757143
29 GLU LEU GLU LYS TRP ALA SER 0.52518 0.828125
30 GLU LEU ASP ORN TRP ALA SER 0.524476 0.828125
31 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.524138 0.765625
32 ALA LEU ASP LYS TRP ASP 0.522727 0.78125
33 ALA LEU ASP LYS TRP ALA SER 0.521739 0.84375
34 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.52071 0.736111
35 VAL ASP SER LYS ASN THR SER SER TRP 0.517241 0.861538
36 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.51497 0.727273
37 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.513514 0.757576
38 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.512195 0.710526
39 CYS THR GLU LEU LYS LEU SER ASP TYR 0.510345 0.784615
40 GLU LEU ASP HOX TRP ALA SER 0.510204 0.776119
41 GLU LEU ASP LYS TRP ALA ASN 0.506944 0.772727
42 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.506667 0.776119
43 ILE ASP TRP PHE ASP GLY LYS GLU 0.506579 0.772727
44 ILE ASP TRP PHE GLU GLY LYS GLU 0.506579 0.772727
45 MET LEU ILE TYR SER MET TRP GLY LYS 0.506098 0.842857
46 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.503817 0.746032
47 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.503311 0.774648
48 ASP ASN TRP GLN ASN GLY THR SER 0.5 0.787879
49 FME ASP VAL GLU ALA TRP LEU 0.496732 0.691176
50 GLU LEU ASP LYS TRP ALA GLY 0.496504 0.769231
51 GLU ASN GLN LYS GLU TYR PHE PHE 0.496296 0.707692
52 SER ARG TYR TRP ALA ILE ARG THR ARG 0.49375 0.791667
53 ASP PHE GLU ASP TYR GLU PHE ASP 0.48855 0.68254
54 ASP SER TRP LYS ASP GLY CYS TYR 0.486486 0.818182
55 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.484076 0.784615
56 ALA TRP LEU PHE GLU ALA 0.482269 0.703125
57 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.479452 0.760563
58 ARG ARG ARG ARG SER TRP TYR 0.479167 0.771429
59 GLU LEU ASP LYS TYR ALA SER 0.478571 0.78125
60 ASN ASP TRP LEU LEU PRO SER TYR 0.475904 0.821918
61 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.474576 0.76
62 GLN GLU GLU TRP SEP THR VAL MET 0.474026 0.697368
63 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.473684 0.71831
64 ASP SEP TYR GLU VAL LEU ASP LEU 0.473684 0.638889
65 ILE ASP TRP PHE ASP GLY LYS ASP 0.473684 0.772727
66 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.472727 0.771429
67 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.472222 0.723077
68 GLU LEU ASP NRG TRP ALA SER 0.465409 0.654321
69 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.465116 0.726027
70 PRO GLN PRO VAL ASP SER TRP VAL 0.463855 0.788732
71 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.463087 0.746269
72 ASP ALA ASP GLU TYR LEU 0.462687 0.671875
73 ALA ALA TRP LEU PHE GLU ALA 0.462585 0.703125
74 MET ASN TRP ASN ILE 0.462121 0.671642
75 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.462025 0.746269
76 ACE ASN TRP GLU THR PHE 0.46 0.757576
77 LYS TRP LYS 0.459677 0.714286
78 GLU LEU ASP HIS TRP ALA SER 0.457516 0.787879
79 ACE GLU TRP TRP TRP 0.456693 0.6875
80 ASP TRP ASN 0.456 0.661538
81 GLU ASP ASN ASP TRP ASN 0.456 0.661538
82 SER LEU LEU MET TRP ILE THR GLN VAL 0.455696 0.771429
83 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.455696 0.75
84 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.453333 0.769231
85 ASP GLU LEU GLU ILE LYS ALA TYR 0.452703 0.723077
86 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.451389 0.796875
87 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.451219 0.777778
88 SER PRO LEU ASP SER LEU TRP TRP ILE 0.447205 0.791667
89 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.446043 0.765625
90 THR TYR LYS PHE PHE GLU GLN 0.446043 0.765625
91 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.445122 0.753425
92 ALA GLU THR PHE TYR VAL ASP GLY 0.443662 0.746032
93 SER SER ARG LYS GLU TYR TYR ALA 0.442029 0.685714
94 PHE LEU SER TYR LYS 0.442029 0.796875
95 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.440559 0.746479
96 VAL GLN GLN GLU SER SER PHE VAL MET 0.440559 0.652174
97 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.440476 0.823529
98 SER ILE ILE ASN PHE GLU LYS LEU 0.439189 0.701493
99 GLU VAL TYR GLU SER 0.43609 0.714286
100 MET TYR TRP TYR PRO TYR 0.435897 0.68
101 ALA LEU ASP LYS TRP GLN ASN 0.435714 0.765625
102 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.435294 0.743243
103 TRP GLU GLU LEU 0.435115 0.703125
104 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.435028 0.670886
105 GLU THR PHE TYR VAL ASP GLY 0.434483 0.78125
106 LYS TRP 0.434426 0.666667
107 ALA ARG THR GLU LEU TYR ARG SER LEU 0.434211 0.71831
108 TYR GLN SER LYS LEU 0.433824 0.769231
109 THR ASN GLU PHE TYR PHE 0.431818 0.630769
110 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.430464 0.707692
111 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.43038 0.630137
112 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.42953 0.791045
113 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.42953 0.769231
114 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.429487 0.666667
115 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.429487 0.638889
116 THR SER THR THR SER VAL ALA SER SER TRP 0.427586 0.809524
117 GLN SER TYR TPO VAL 0.427536 0.666667
118 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.425806 0.656716
119 LYS MET ASN THR GLN PHE THR ALA VAL 0.425806 0.671429
120 ARG LEU TRP SER 0.425532 0.704225
121 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.42515 0.808824
122 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.424837 0.78125
123 TYR TRP ALA ALA ALA ALA 0.42446 0.714286
124 PRO ALA TRP LEU PHE GLU ALA 0.42236 0.769231
125 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.421687 0.696203
126 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.421053 0.757576
127 GLY ASP GLU VAL LYS VAL PHE ARG 0.421053 0.605634
128 GLU THR LEU GLU ASP SER VAL PHE 0.417323 0.666667
129 SER GLN TYR TYR TYR ASN SER LEU 0.417266 0.757576
130 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.416667 0.722222
131 SER LEU LEU MET TRP ILE THR GLN SER 0.416149 0.771429
132 ALA LYS GLU LYS SER ASP 0.416 0.666667
133 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.415584 0.708333
134 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.415205 0.702703
135 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.415205 0.736842
136 8LR GLY TRP TYR XSN 0.415094 0.736842
137 SER HIS PHE ASN GLU TYR GLU 0.414013 0.818182
138 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.413408 0.730769
139 SER LEU LEU MET TRP ILE THR GLN LEU 0.4125 0.771429
140 GLU ILE ILE ASN PHE GLU LYS LEU 0.410596 0.641791
141 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.409722 0.661538
142 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.409396 0.731343
143 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.409091 0.701493
144 MET ASP TRP ASN MET HIS ALA ALA 0.408805 0.690141
145 LYS ALA VAL TYR ASN PHE ALA THR MET 0.408805 0.728571
146 SER ASP TYR GLN ARG LEU 0.408451 0.647887
147 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.408377 0.658228
148 GLY SER ASP PRO TRP LYS 0.406452 0.757143
149 VAL THR THR ASP ILE GLN VAL LYS VAL 0.405594 0.651515
150 LYS VAL LEU PHE LEU ASP GLY 0.405594 0.646154
151 SER LEU LEU MET TRP ILE THR GLN ALA 0.404908 0.771429
152 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.404908 0.787879
153 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.404762 0.820895
154 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.404494 0.666667
155 SER GLU LEU GLU ILE LYS ARG TYR 0.403846 0.708333
156 ACE ILE TYR GLU SER LEU 0.402878 0.723077
157 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.402299 0.753425
158 GLU GLU ILE ASP VAL VAL SER VAL 0.40146 0.646154
159 LYS SER HIS GLN GLU 0.401408 0.742424
160 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.401235 0.776119
161 GLU THR VAL ARG PHE GLN SER ASP 0.4 0.671429
162 SER LEU LEU MET TRP ILE THR GLN CYS 0.4 0.771429
163 ALA PRO ALA TRP LEU PHE GLU ALA 0.4 0.694444
Similar Binding Sites (Proteins are less than 50% similar to leader)
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