Receptor
PDB id Resolution Class Description Source Keywords
5M5V 1.96 Å NON-ENZYME: OTHER CLATHRIN HEAVY CHAIN N-TERMINAL DOMAIN BOUND TO A CLATHRIN-B FROM HEPATITIS D VIRUS LARGE ANTIGEN (CLADE 2) 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
SER PRO ARG LEU PRO LEU LEU GLU SER I:4;
H:2;
J:4;
G:2;
F:4;
E:4;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.606;
Atoms found LESS than expected: % Diff = 0.31;
Atoms found LESS than expected: % Diff = 0.606;
Atoms found LESS than expected: % Diff = 0.31;
Atoms found LESS than expected: % Diff = 0.394;
Atoms found LESS than expected: % Diff = 0.394;
submit data
693.935 n/a O=C(N...
GOL A:401;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(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 PRO ARG LEU PRO LEU LEU GLU SER; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 SER PRO ARG LEU PRO LEU LEU GLU SER 1 1
2 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.694444 0.982759
3 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.560976 0.790323
4 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.551724 0.838235
5 PRO PRO LYS LYS LYS ARG LYS VAL 0.533898 0.982456
6 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.518797 0.904762
7 ARG PRO LYS PRO LEU VAL ASP PRO 0.504132 0.982759
8 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.495935 0.965517
9 LEU PRO PRO GLU GLU ARG LEU ILE 0.484615 0.934426
10 SER PRO SER PRO SER PRO SER PRO SER PRO 0.476636 0.730159
11 LEU ASP PRO ARG 0.474576 0.885246
12 PRO GLY PRO LEU PRO ALA 0.474138 0.803279
13 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.469697 0.806452
14 PRO PRO LYS ARG ILE ALA 0.469231 0.933333
15 ACE ARG THR PRO SEP LEU PRO THR PIP 0.460432 0.77027
16 THR PRO ARG ARG SER MLZ SER ALA 0.457364 0.797101
17 ARG THR PRO SEP LEU PRO THR 0.455882 0.814286
18 ARG ARG ARG GLU ARG SER PRO THR ARG 0.455224 0.791045
19 ARG THR PRO SEP LEU PRO THR 49F 0.453333 0.76
20 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.452055 0.8
21 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.451852 0.859375
22 DPN PRO DAR DTH NH2 0.451613 0.8125
23 DPN PRO DAR CYS NH2 0.45082 0.85
24 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.447761 0.875
25 SER PRO LYS ARG ILE ALA 0.446154 0.859375
26 ALA MET ALA PRO ARG THR LEU LEU LEU 0.445255 0.811594
27 PRO MET GLN SER TPO PRO LEU 0.443662 0.684211
28 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.443548 0.835821
29 ARG SER ALA SEP GLU PRO SER LEU 0.441379 0.777778
30 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.440298 0.844828
31 DPN PRO DAR ILE NH2 0.44 0.9
32 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.439189 0.904762
33 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.438849 0.848485
34 ARG PRO LYS ARG ILE ALA 0.438462 0.901639
35 DTY ILE ARG LEU LPD 0.437037 0.861538
36 LYS PRO VAL LEU ARG THR ALA 0.437037 0.875
37 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.433566 0.876923
38 5JP PRO LYS ARG ILE ALA 0.432836 0.833333
39 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.432432 0.904762
40 PRO SER ILE ASP ARG SER THR LYS PRO 0.425676 0.823529
41 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.425676 0.823529
42 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.425532 0.875
43 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.424051 0.811594
44 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.423611 0.785714
45 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.423358 0.903226
46 ARG ARG ALA SEP ALA PRO LEU PRO 0.422535 0.826087
47 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.421053 0.890625
48 LYS ARG ARG ARG HIS PRO SER 0.42029 0.815385
49 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.419643 0.810345
50 VAL PRO LEU ARG PRO MET THR TYR 0.417219 0.780822
51 GLU LEU PRO LEU VAL LYS ILE 0.416667 0.786885
52 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.416107 0.835821
53 ASN ARG PRO ILE LEU SER LEU 0.416058 0.808824
54 ACE ARG THR PRO SEP LEU PRO THR 60H 0.415584 0.76
55 TYR PRO LYS ARG ILE ALA 0.415493 0.848485
56 NGA ALA PRO ASP THR ARG PRO ALA PRO 0.414634 0.733333
57 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.414634 0.733333
58 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.412587 0.904762
59 THR LYS PRO ARG 0.412281 0.864407
60 HIS HIS ALA SER PRO ARG LYS 0.412162 0.818182
61 SER SER CYS PRO LEU SER LYS 0.409449 0.753846
62 ALA PRO ASP THR ARG PRO 0.409091 0.820895
63 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.40625 0.854839
64 CYS THR PRO SER ARG 0.40625 0.776119
65 PRO THR SEP PRO SER TYR 0.405594 0.64
66 PRO LEU GLU PSA ARG LEU 0.405594 0.746269
67 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.405405 0.890625
68 ARG LEU TYR HIS SEP LEU PRO ALA 0.405063 0.74026
69 ARG PRO PRO LYS PRO ARG PRO ARG 0.40458 0.896552
70 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.404412 0.903226
71 SER MET PRO GLU LEU SER PRO VAL LEU 0.404255 0.714286
72 GLY PRO ARG PRO 0.403509 0.881356
73 PHE PRO ARG 0.403361 0.847458
74 DPN PRO ARG 0.403361 0.819672
75 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.402878 0.701493
76 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.401639 0.810345
77 ALA ARG MLZ SER ALA PRO ALA THR 0.40146 0.808824
78 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.401198 0.746269
79 PRO THR PRO SER ALA PRO VAL PRO LEU 0.4 0.746269
80 ALA PRO ASP THR ARG PRO ALA PRO 0.4 0.820895
Similar Binding Sites (Proteins are less than 50% similar to leader)
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