Receptor
PDB id Resolution Class Description Source Keywords
1MFG 1.25 Å NON-ENZYME: SIGNAL_HORMONE THE STRUCTURE OF ERBIN PDZ DOMAIN BOUND TO THE CARBOXY- TERMINAL TAIL OF THE ERBB2 RECEPTOR HOMO SAPIENS PDZ DOMAIN PROTEIN-PEPTIDE COMPLEX ERB-B2 ERBIN. SIGNALING PROTEIN
Ref.: NOVEL MODE OF LIGAND RECOGNITION BY THE ERBIN PDZ DOMAIN J.BIOL.CHEM. V. 278 1399 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU TYR LEU GLY LEU ASP VAL PRO VAL B:1247;
Valid;
none;
Kd ~ 50 uM
1002.13 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MFG 1.25 Å NON-ENZYME: SIGNAL_HORMONE THE STRUCTURE OF ERBIN PDZ DOMAIN BOUND TO THE CARBOXY- TERMINAL TAIL OF THE ERBB2 RECEPTOR HOMO SAPIENS PDZ DOMAIN PROTEIN-PEPTIDE COMPLEX ERB-B2 ERBIN. SIGNALING PROTEIN
Ref.: NOVEL MODE OF LIGAND RECOGNITION BY THE ERBIN PDZ DOMAIN J.BIOL.CHEM. V. 278 1399 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 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
2 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL 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 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
2 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 2AWX - HIS HIS n/a n/a
2 2AWU - ALA HIS HIS n/a n/a
3 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
4 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
5 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU TYR LEU GLY LEU ASP VAL PRO VAL; Similar ligands found: 137
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU TYR LEU GLY LEU ASP VAL PRO VAL 1 1
2 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.589041 0.95082
3 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.589041 0.95082
4 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.58 0.935484
5 LEU PHE GLY TYR PRO VAL TYR VAL 0.573427 0.95082
6 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.563025 0.864407
7 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.525 0.921875
8 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.51875 0.90625
9 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.518248 0.932203
10 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.513514 0.878788
11 HIS SER ILE THR TYR LEU LEU PRO VAL 0.509434 0.84058
12 GLU ALA ASP PRO THR GLY HIS SER TYR 0.509202 0.838235
13 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.506944 0.848485
14 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.5 0.892308
15 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.5 0.951613
16 SER SER GLY LYS VAL PRO LEU SER 0.492754 0.828125
17 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.490909 0.893939
18 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.490196 0.936508
19 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.489933 0.90625
20 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.487654 0.936508
21 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.487342 0.835821
22 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.487179 0.919355
23 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.486842 0.90625
24 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.485207 0.808219
25 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.477987 0.907692
26 SER SER GLY LYS VAL PRO LEU 0.477941 0.84127
27 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.477419 0.936508
28 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.475904 0.842857
29 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.475309 0.84058
30 ASN ASP TRP LEU LEU PRO SER TYR 0.472727 0.842857
31 TRP GLU TYR ILE PRO ASN VAL 0.472393 0.852941
32 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.472393 0.867647
33 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.471591 0.855072
34 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.468354 0.920635
35 GLN MET PRO THR GLU ASP GLU TYR 0.467949 0.838235
36 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.465517 0.797297
37 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.465409 0.880597
38 ILE THR ASP GLN VAL PRO PHE SER VAL 0.465409 0.861538
39 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.463415 0.84375
40 GLN ASN TYR PRO ILE VAL GLN 0.463087 0.920635
41 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.462963 0.890625
42 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.460526 0.921875
43 ARG TYR PRO LEU THR PHE GLY TRP 0.460227 0.808219
44 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.458599 0.782609
45 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.458065 0.80303
46 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.458065 0.861538
47 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.457831 0.865672
48 ILE MET ASP GLN VAL PRO PHE SER VAL 0.453988 0.797101
49 GLU LEU ASP LYS TYR ALA SER 0.453901 0.774194
50 ILE LEU GLY PRO PRO GLY SER VAL TYR 0.453416 0.907692
51 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.451807 0.828571
52 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.451807 0.753247
53 THR PRO TYR ASP ILE ASN GLN MET LEU 0.451807 0.84058
54 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.45 0.787879
55 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.448276 0.666667
56 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.447205 0.920635
57 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.447059 0.753247
58 TYR TYR SER ILE ILE PRO HIS SER ILE 0.446541 0.814286
59 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.446541 0.814286
60 ASP ASP LEU TYR GLY 0.445312 0.766667
61 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.445161 0.691176
62 ARG PRO MET THR TYR LYS GLY ALA LEU 0.445087 0.797297
63 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.44385 0.786667
64 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.443038 0.756757
65 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.442953 0.71875
66 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.442529 0.794521
67 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.442424 0.828125
68 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.441176 0.892308
69 ARG LEU TYR HIS SEP LEU PRO ALA 0.43787 0.721519
70 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.437086 0.779412
71 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.436782 0.865672
72 PRO ARG GLY TYR PRO GLY GLN VAL 0.435897 0.919355
73 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.433735 0.890625
74 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.432749 0.783784
75 GLU VAL PTR GLU SER PRO 0.432432 0.84058
76 GLU ASN LEU TYR PHE GLN 0.431655 0.6875
77 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.431138 0.838235
78 SER SER TYR ARG ARG PRO VAL GLY ILE 0.430303 0.805556
79 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.430303 0.816901
80 SER ASP ILE LEU PHE PRO ALA ASP SER 0.428571 0.859375
81 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.428571 0.707692
82 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.427673 0.811594
83 ARG PHE PRO LEU THR PHE GLY TRP 0.426136 0.780822
84 GLU LEU PRO LEU VAL LYS ILE 0.424658 0.819672
85 ASN LEU VAL PRO THR VAL ALA THR VAL 0.424658 0.828125
86 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.422619 0.84375
87 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.421769 0.828125
88 PHE GLU ASP ASN PHE VAL PRO 0.421769 0.830769
89 ARG GLY TYR LEU TYR GLN GLY LEU 0.421769 0.691176
90 PHE PRO THR LYS ASP VAL ALA LEU 0.421384 0.873016
91 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.421384 0.693333
92 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.421053 0.71875
93 GLU THR PHE TYR VAL ASP GLY 0.42069 0.71875
94 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.420382 0.768116
95 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.420382 0.691176
96 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.419753 0.75
97 ACE GLN PM3 GLU GLU ILE PRO 0.418919 0.73913
98 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.418848 0.773333
99 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.418605 0.802817
100 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.418478 0.791667
101 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.418301 0.820895
102 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.418301 0.828125
103 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.417219 0.830769
104 SER PRO LEU ASP SER LEU TRP TRP ILE 0.417178 0.811594
105 GLU PHE SER PRO 0.416667 0.836066
106 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.416185 0.766234
107 ASP ALA ASP GLU TYR LEU 0.416058 0.716667
108 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.41573 0.753425
109 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.415094 0.716418
110 TYR SEP PRO THR SEP PRO SER 0.414966 0.774648
111 MET TYR TRP TYR PRO TYR 0.414013 0.794118
112 ASN LEU VAL PRO SER VAL ALA THR VAL 0.413333 0.830769
113 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.4125 0.919355
114 THR ASN GLU TYR TYR VAL 0.412214 0.666667
115 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.411429 0.780822
116 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.409938 0.780822
117 TYR TYR SER ILE ALA PRO HIS SER ILE 0.409639 0.788732
118 TYR PRO TYR 0.409449 0.836066
119 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.409396 0.741935
120 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.408284 0.848485
121 LEU PRO GLY GLU GLU ASP LEU PRO GLY 0.408163 0.868852
122 PTR VAL PRO MET LEU 0.407895 0.774648
123 ARG GLY TYR VAL TYR GLN GLY LEU 0.407895 0.691176
124 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.407643 0.681159
125 SER SER PHE TYR PRO SEP ALA GLU GLY 0.40625 0.774648
126 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.406061 0.671429
127 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.406061 0.727273
128 TYR VAL ASP GLY ALA 0.406015 0.75
129 ASP SEP TYR GLU VAL LEU ASP LEU 0.405063 0.652174
130 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.404762 0.819444
131 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.404255 0.76
132 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.403974 0.887097
133 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.403727 0.861538
134 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.402235 0.794521
135 LEU PRO GLU THR GLY 0.40146 0.885246
136 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.401099 0.80597
137 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.4 0.697368
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MFG; Ligand: GLU TYR LEU GLY LEU ASP VAL PRO VAL; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 1mfg.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BZL FAD 0.02567 0.43772 4.21053
2 2Z9I GLY ALA THR VAL 0.00004071 0.54254 6.79012
3 3R9V DXC 0.01065 0.41804 14.7368
4 3O5N BR0 0.00001213 0.4204 31.5789
5 1L6O SER LEU LYS LEU MET THR THR VAL 0.001719 0.43472 40
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