Receptor
PDB id Resolution Class Description Source Keywords
5M5U 2.15 Å NON-ENZYME: OTHER CLATHRIN HEAVY CHAIN N-TERMINAL DOMAIN BOUND TO A CLATHRIN-B FROM HEPATITIS D VIRUS LARGE ANTIGEN (CLADE 1) BOS TAURUS ENDOCYTOSIS HEPATITIS DELTA VIRUS HDAG-L
Ref.: CELLULAR AND VIRAL PEPTIDES BIND MULTIPLE SITES ON N-TERMINAL DOMAIN OF CLATHRIN. TRAFFIC V. 18 44 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:401;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SER ASP ILE LEU PHE PRO ALA ASP SER H:2;
E:1;
G:2;
F:1;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.309;
Atoms found LESS than expected: % Diff = 0.221;
Atoms found LESS than expected: % Diff = 0.309;
Atoms found LESS than expected: % Diff = 0.221;
submit data
745.875 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UTC 2.3 Å NON-ENZYME: OTHER CLATHRIN TERMINAL DOMAIN COMPLEXED WITH TLPWDLWTT BOS TAURUS ENDOCYTOSIS CLATHRIN CYTOSKELETON
Ref.: TWO DISTINCT INTERACTION MOTIFS IN AMPHIPHYSIN BIND TWO INDEPENDENT SITES ON THE CLATHRIN TERMINAL DOMAIN BETA-PROPELLER NAT.STRUCT.MOL.BIOL. V. 11 242 2004
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5M5S - GLU THR LEU LEU ASP LEU ASP PHE ASP PRO n/a n/a
2 5M5R - CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY n/a n/a
3 5M5T - GLU THR LEU LEU ASP LEU ASP PHE LEU GLU n/a n/a
4 5M5V - SER PRO ARG LEU PRO LEU LEU GLU SER n/a n/a
5 2XZG - VH1 C19 H13 N2 O5 S c1cc2cc(cc....
6 4G55 - VH2 C20 H15 Br N2 O3 S2 c1ccc2c(c1....
7 5M5U - SER ASP ILE LEU PHE PRO ALA ASP SER n/a n/a
8 1UTC Kd = 28 uM THR LEU PRO TRP ASP LEU TRP THR THR 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 5M5S - GLU THR LEU LEU ASP LEU ASP PHE ASP PRO n/a n/a
2 5M5R - CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY n/a n/a
3 5M5T - GLU THR LEU LEU ASP LEU ASP PHE LEU GLU n/a n/a
4 5M5V - SER PRO ARG LEU PRO LEU LEU GLU SER n/a n/a
5 2XZG - VH1 C19 H13 N2 O5 S c1cc2cc(cc....
6 4G55 - VH2 C20 H15 Br N2 O3 S2 c1ccc2c(c1....
7 5M5U - SER ASP ILE LEU PHE PRO ALA ASP SER n/a n/a
8 1UTC Kd = 28 uM THR LEU PRO TRP ASP LEU TRP THR THR 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 5M5S - GLU THR LEU LEU ASP LEU ASP PHE ASP PRO n/a n/a
2 5M5R - CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY n/a n/a
3 5M5T - GLU THR LEU LEU ASP LEU ASP PHE LEU GLU n/a n/a
4 5M5V - SER PRO ARG LEU PRO LEU LEU GLU SER n/a n/a
5 2XZG - VH1 C19 H13 N2 O5 S c1cc2cc(cc....
6 4G55 - VH2 C20 H15 Br N2 O3 S2 c1ccc2c(c1....
7 5M5U - SER ASP ILE LEU PHE PRO ALA ASP SER n/a n/a
8 1UTC Kd = 28 uM THR LEU PRO TRP ASP LEU TRP THR THR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER ASP ILE LEU PHE PRO ALA ASP SER; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 SER ASP ILE LEU PHE PRO ALA ASP SER 1 1
2 LEU ASN PHE PRO ILE SER PRO 0.626984 0.9375
3 PHE ASN PHE PRO GLN ILE THR 0.615385 0.876923
4 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.571429 0.921875
5 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.568345 0.90625
6 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.557692 0.821918
7 LEU PRO PHE ASP LYS SER THR ILE MET 0.552632 0.909091
8 LEU PRO PHE ASP LYS THR THR ILE MET 0.547297 0.878788
9 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.545455 0.880597
10 PHE PRO THR LYS ASP VAL ALA LEU 0.535211 0.919355
11 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.534247 0.876923
12 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.534247 0.854839
13 MET PHE SER ILE ASP ASN ILE LEU ALA 0.532847 0.686567
14 GLY SER ASP PRO PHE LYS 0.527132 0.901639
15 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.526316 0.882353
16 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.52459 0.866667
17 TRP ASP ILE PRO PHE 0.52459 0.866667
18 LEU PRO PHE ASP ARG THR THR ILE MET 0.519481 0.808219
19 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.510791 0.78125
20 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.509554 0.823529
21 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.507463 0.919355
22 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.50365 0.770492
23 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.503448 0.818182
24 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.503356 0.867647
25 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.503268 0.855072
26 ILE THR ASP GLN VAL PRO PHE SER VAL 0.5 0.967742
27 SER PRO LEU ASP SER LEU TRP TRP ILE 0.496644 0.909091
28 VAL TYR ILE HIS PRO PHE 0.496644 0.742857
29 THR PRO TYR ASP ILE ASN GLN MET LEU 0.49359 0.828571
30 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.493506 0.794118
31 GLN ASN TYR PRO ILE VAL GLN 0.489362 0.848485
32 ASN ARG PRO ILE LEU SER LEU 0.489209 0.852941
33 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.482993 0.808824
34 ASP ARG VAL TYR ILE HIS PRO PHE 0.481928 0.736842
35 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.480519 0.756757
36 PHE SER HIS PRO GLN ASN THR 0.47973 0.823529
37 HIS SER ILE THR TYR LEU LEU PRO VAL 0.477707 0.855072
38 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 0.476923 0.920635
39 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.476562 0.934426
40 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.47561 0.805556
41 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.474576 0.816667
42 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.473684 0.818182
43 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.473684 0.818182
44 LEU SER SER PRO VAL THR LYS SER PHE 0.472603 0.935484
45 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.471698 0.802817
46 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.470588 0.814286
47 SER LEU ILE PRO TPO PRO ASP LYS 0.469388 0.828571
48 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.467949 0.819444
49 ILE SER PRO ARG THR LEU ASP ALA TRP 0.465116 0.821918
50 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.463087 0.893939
51 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.461538 0.76
52 ALA THR PRO PHE GLN GLU 0.459016 0.836066
53 SER THR SEP PRO THR PHE ASN LYS 0.458599 0.788732
54 SER LEU PHE ASN THR ILE ALA VAL LEU 0.457143 0.714286
55 SER PRO LYS ARG ILE ALA 0.456522 0.794118
56 SER SER PHE TYR PRO SEP ALA GLU GLY 0.456376 0.739726
57 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.455696 0.893939
58 VAL MET ALA PRO ARG THR LEU PHE LEU 0.455696 0.756757
59 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.45509 0.76
60 SER ALA PRO ASP THR ARG PRO ALA 0.454545 0.774648
61 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.454545 0.818182
62 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.454545 0.675
63 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.453988 0.7125
64 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.453333 0.846154
65 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.45283 0.826087
66 DPN PRO DAR ILE NH2 0.451128 0.746269
67 LYS THR PHE PRO PRO THR GLU PRO LYS 0.45098 0.873016
68 ASN ASP TRP LEU LEU PRO SER TYR 0.450617 0.830986
69 ILE MET ASP GLN VAL PRO PHE SER VAL 0.449367 0.923077
70 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.449367 0.820895
71 LEU PRO PHE GLU ARG ALA THR ILE MET 0.449102 0.794521
72 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.447205 0.835821
73 ACE SER LEU ASN JG3 ILE VME 0.446667 0.909091
74 LEU PHE GLY TYR PRO VAL TYR VAL 0.446667 0.818182
75 ARG PHE PRO LEU THR PHE GLY TRP 0.446429 0.77027
76 LYS VAL ILE THR PHE ILE ASP LEU 0.446043 0.770492
77 TYR PRO LYS ARG ILE ALA 0.445946 0.736111
78 PHE SER ALA PTR PRO SER GLU GLU ASP 0.44586 0.767123
79 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.444444 0.826087
80 SER TRP PHE PRO 0.444444 0.80303
81 SER HIS PRO ARG PRO ILE ARG VAL 0.444444 0.816901
82 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.44375 0.80303
83 THR PRO GLN ASP LEU ASN THR MET LEU 0.442953 0.808824
84 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.441379 0.892308
85 DPN PRO DAR DTH NH2 0.440298 0.75
86 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.440252 0.833333
87 ARG TYR PRO LEU THR PHE GLY TRP 0.439306 0.75
88 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.439024 0.850746
89 PHE ASN ARG PRO VAL 0.438849 0.794118
90 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.43871 0.756757
91 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.436709 0.923077
92 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.436364 0.773333
93 SER ASP LYS ILE ASP ASN LEU ASP 0.43609 0.730159
94 THR PRO PRO SER PRO PHE 0.43609 0.857143
95 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.435484 0.85
96 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.435374 0.714286
97 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.435065 0.652174
98 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.433735 0.802817
99 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.433333 0.782609
100 SER LEU LYS ILE ASP ASN LEU ASP 0.432836 0.730159
101 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.432258 0.828571
102 TYR TYR SER ILE ILE PRO HIS SER ILE 0.432258 0.828571
103 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.429448 0.7
104 ARG VAL SER PRO SER THR SER TYR THR PRO 0.428571 0.875
105 LEU PRO PHE GLU LYS SER THR VAL MET 0.428571 0.893939
106 THR LEU PRO TRP ASP LEU TRP THR THR 0.428571 0.850746
107 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.428571 0.859375
108 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.427746 0.692308
109 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.426667 0.863636
110 SER MET PRO GLU LEU SER PRO VAL LEU 0.425676 0.863636
111 ALA PRO ALA TRP LEU PHE GLU ALA 0.425 0.776119
112 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.424581 0.850746
113 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.424051 0.876923
114 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.424051 0.850746
115 PRO ALA PRO PHE ALA SER ALA 0.423611 0.857143
116 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.42236 0.722222
117 SER SER CYS PRO LEU SER LYS 0.422222 0.887097
118 TYR TYR SER ILE ALA PRO HIS SER ILE 0.421384 0.802817
119 SER ILE ILE ASN PHE GLU LYS LEU 0.41958 0.790323
120 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.41844 0.796875
121 GLU LEU PRO LEU VAL LYS ILE 0.41844 0.836066
122 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.417722 0.760563
123 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.416667 0.7
124 ARG SEP PRO VAL PHE SER 0.416667 0.753425
125 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.416216 0.753247
126 GLY SER ASP PRO TRP LYS 0.414966 0.846154
127 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.414365 0.773333
128 SER LEU LYS ILE ASP ASN GLU ASP 0.414286 0.730159
129 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.413978 0.74026
130 TYR ASP GLN ILE LEU 0.413534 0.615385
131 ACE TYR PRO ILE GLN GLU THR 0.413333 0.818182
132 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.413174 0.743243
133 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.4125 0.732394
134 TYR PRO PHE PHE NH2 0.412214 0.712121
135 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.412162 0.838235
136 BOC HIS PRO PHE HIS LOV ILE HIS 0.411765 0.739726
137 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.411765 0.865672
138 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.411429 0.71831
139 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.411392 0.90625
140 SER LEU PHE ASN THR VAL ALA THR LEU 0.411348 0.68254
141 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.411043 0.826087
142 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.410959 0.904762
143 FME TYR PHE ILE ASN ILE LEU THR LEU 0.410596 0.611111
144 GLU PHE SER PRO 0.409449 0.883333
145 ARG PRO LYS ARG ILE ALA 0.408451 0.75
146 DTY ILE ARG LEU LPD 0.408163 0.746479
147 PHE SER ASP PRO TRP GLY GLY 0.407643 0.833333
148 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.407643 0.892308
149 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.407643 0.771429
150 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.407643 0.671642
151 SER ALA LYS ILE ASP ASN LEU ASP 0.407143 0.730159
152 ASN LEU VAL PRO SER VAL ALA THR VAL 0.406897 0.904762
153 SER SER ILE GLU PHE ALA ARG LEU 0.406667 0.716418
154 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.405882 0.828571
155 SER LEU LYS ILE ASP ASN MET ASP 0.405594 0.686567
156 SER GLU ILE GLU PHE ALA ARG LEU 0.405405 0.701493
157 BOC HIS PRO PHE ALA LOV ILE HIS 0.404624 0.739726
158 PRO ALA PRO PHE ALA ALA ALA 0.404255 0.746032
159 5JP PRO LYS ARG ILE ALA 0.40411 0.771429
160 SER HIS LYS ILE ASP ASN LEU ASP 0.403974 0.787879
161 ARG PRO MET THR PHE LYS GLY ALA LEU 0.403509 0.77027
162 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.403315 0.75
163 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.402778 0.712329
164 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.402439 0.808824
165 SER VAL PRO ILE 0.401639 0.9
166 ALA PRO ASP THR ARG PRO 0.401408 0.760563
167 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.401274 0.892308
168 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.401235 0.826087
169 VAL PRO LEU ARG PRO MET THR TYR 0.401235 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback