Receptor
PDB id Resolution Class Description Source Keywords
1MFL 1.88 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 PHOSPHORYLATION 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 PTR LEU GLY LEU ASP VAL PRO VAL B:1251;
Valid;
none;
Kd ~ 128 uM
540.638 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 (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 301 families.
1 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
2 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
3 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
4 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
5 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
2 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
3 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
4 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
5 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6MS1 Kd = 5970 nM GLY SER TYR LEU VAL THR SER VAL n/a n/a
2 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
3 2AWX - HIS HIS n/a n/a
4 2AWU - ALA HIS HIS n/a n/a
5 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
6 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
7 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
8 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
9 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
10 5WOU Kd = 664 nM LEU PRO SER PHE GLU THR ALA LEU n/a n/a
11 6MTU Kd = 6083 nM PRO HIS THR ASN GLU THR SEP LEU n/a n/a
12 5VWK - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
13 5VWI - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
14 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
15 1N7F - ALA THR VAL ARG THR TYR SER CYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU PTR LEU GLY LEU ASP VAL PRO VAL; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU PTR LEU GLY LEU ASP VAL PRO VAL 1 1
2 SER VAL PRO ILE 0.581395 0.87931
3 ALA VAL PRO ILE 0.571429 0.924528
4 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.55 0.866667
5 ASN LEU VAL PRO THR VAL ALA THR VAL 0.522936 0.896552
6 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.518182 0.896552
7 ALA VAL PRO ALA 0.511905 0.903846
8 ASN LEU VAL PRO SER VAL ALA THR VAL 0.504425 0.866667
9 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 0.5 0.852459
10 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.495652 0.809524
11 ALA VAL PRO ILE ALA GLN LYS 0.494382 0.886792
12 ALA VAL PRO ILE ALA GLN LYS SER GLU 0.494382 0.886792
13 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.486957 0.896552
14 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.486957 0.896552
15 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.483333 0.8125
16 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.483051 0.896552
17 SER SER GLY LYS VAL PRO LEU 0.481818 0.896552
18 ILE THR ASP GLN VAL PRO PHE SER VAL 0.48062 0.83871
19 SER SER GLY LYS VAL PRO LEU SER 0.477876 0.881356
20 LEU ASP PRO ARG 0.471698 0.881356
21 ALA VAL PRO ILE ALA GLN 0.471154 0.962264
22 ILE PRO ILE 0.470588 0.886792
23 LEU ASN PHE PRO ILE SER PRO 0.469565 0.8125
24 ILE MET ASP GLN VAL PRO PHE SER VAL 0.466165 0.8
25 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.466102 0.866667
26 ASN LEU VAL PRO MET VAL ALA THR VAL 0.46281 0.83871
27 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.455357 0.836066
28 SER PRO ILE VAL PRO SER PHE ASP MET 0.450382 0.776119
29 PTR VAL PRO MET LEU 0.449153 0.714286
30 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.447619 0.927273
31 TRP ASP ILE PRO PHE 0.447619 0.927273
32 SER ASP ILE LEU PHE PRO ALA ASP SER 0.447154 0.852459
33 LEU PRO GLU THR GLY 0.446602 0.912281
34 ALA PRO THR 0.445783 0.821429
35 LEU PHE GLY TYR PRO VAL TYR VAL 0.444444 0.822581
36 SER LEU ILE PRO TPO PRO ASP LYS 0.440945 0.753623
37 PHE ASN ARG PRO VAL 0.440678 0.809524
38 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.436975 0.912281
39 ACE GLU VAL ASN ALA PRO VAL LPD 0.432432 0.87931
40 ALA VAL PRO TRP 0.431193 0.830508
41 LEU LEU CYS SER TPO PRO ASN GLY LEU 0.430894 0.75
42 SER GLU CYS THR THR PRO CYS 0.428571 0.833333
43 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.427419 0.772727
44 PRO THR PRO SER ALA PRO VAL PRO LEU 0.427273 0.822581
45 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.426357 0.809524
46 GLU LEU PRO LEU VAL LYS ILE 0.425 0.927273
47 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.424242 0.822581
48 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.424242 0.822581
49 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.421875 0.772727
50 PHE PRO THR LYS ASP VAL ALA LEU 0.421053 0.852459
51 SER ALA PRO ASP THR ARG PRO ALA 0.419355 0.735294
52 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.414062 0.825397
53 THR PRO GLN ASP LEU ASN THR MET LEU 0.412698 0.825397
54 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.408759 0.836066
55 ACE GLN GLU ARG GLU VAL PRO CYS 0.408333 0.806452
56 CYS THR PRO SER ARG 0.403509 0.727273
57 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.403361 0.87931
58 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.402985 0.825397
59 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.401515 0.772727
60 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.40146 0.796875
61 SER MET PRO GLU LEU SER PRO VAL LEU 0.4 0.8125
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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1mfg.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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