Receptor
PDB id Resolution Class Description Source Keywords
6MS1 1.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HUMAN SCRIBBLE PDZ1 DOMAIN BOUND TO BINDING MOTIF OF APC HOMO SAPIENS SCRIBBLE APC PDZ DOMAIN CELL POLARITY STRUCTURAL PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE HUMAN SCRIBBLE PDZ1 DOMAIN THE PDZ-BINDING MOTIF OF APC. FEBS LETT. V. 593 533 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:1001;
A:903;
A:904;
A:902;
A:901;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
GLY SER TYR LEU VAL THR SER VAL D:145;
C:192;
 Valid;
Valid;
 none;
none;
 Kd = 5970 nM
824.93 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6MS1 1.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HUMAN SCRIBBLE PDZ1 DOMAIN BOUND TO BINDING MOTIF OF APC HOMO SAPIENS SCRIBBLE APC PDZ DOMAIN CELL POLARITY STRUCTURAL PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE HUMAN SCRIBBLE PDZ1 DOMAIN THE PDZ-BINDING MOTIF OF APC. FEBS LETT. V. 593 533 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6MS1 Kd = 5970 nM GLY SER TYR LEU VAL THR SER VAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6MS1 Kd = 5970 nM GLY SER TYR LEU VAL THR SER VAL n/a n/a
2 6MTU Kd = 6083 nM PRO HIS THR ASN GLU THR SEP LEU n/a n/a
3 5VWK - PRO ALA TRP ASP GLU THR ASN LEU 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 (2D)
Ligand no: 1; Ligand: GLY SER TYR LEU VAL THR SER VAL; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY SER TYR LEU VAL THR SER VAL 1 1
2 SER LEU TYR LEU THR VAL ALA THR LEU 0.59434 0.94
3 SER LEU TYR ASN VAL VAL ALA THR LEU 0.547826 0.941176
4 SER LEU TYR ASN THR VAL ALA THR LEU 0.525862 0.941176
5 THR LYS ASN TYR LYS GLN THR SER VAL 0.520661 0.857143
6 GLY LEU MET TRP LEU SER TYR PHE VAL 0.515385 0.765625
7 ALA ARG THR GLU LEU TYR ARG SER LEU 0.5 0.816667
8 GLY ASN TYR SER PHE TYR ALA LEU 0.495575 0.943396
9 TYR LEU VAL VAL VAL GLY ALA VAL GLY VAL 0.490909 0.846154
10 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.483607 0.87037
11 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.482143 0.882353
12 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.475 0.8
13 GLY LEU TYR ALA SER LYS LEU ALA 0.473684 0.888889
14 GLN SER TYR TPO VAL 0.473214 0.783333
15 SER LEU TYR ASN THR ILE ALA THR LEU 0.471074 0.90566
16 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.466667 0.865385
17 ACE GLN LEU VAL THR SER LEU 0.466019 0.792453
18 PHE LEU SER TYR LYS 0.464912 0.839286
19 HIS SER ILE THR TYR LEU LEU PRO VAL 0.464789 0.7
20 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.461538 0.872727
21 GLU GLN TYR LYS PHE TYR SER VAL 0.459016 0.824561
22 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.456 0.830508
23 CYS THR GLU LEU LYS LEU SER ASP TYR 0.453125 0.890909
24 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.451852 0.766667
25 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.45082 0.872727
26 THR LYS ASN TYR LYS GLN PHE SER VAL 0.447154 0.842105
27 LEU VAL THR LEU VAL PHE VAL 0.445455 0.78
28 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.438462 0.8
29 THR ASN GLU TYR TYR VAL 0.438095 0.763636
30 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.437909 0.765625
31 GLY GLY LYS LYS LYS TYR LYS LEU 0.4375 0.818182
32 ALA GLU THR PHE TYR VAL ASP GLY 0.436975 0.814815
33 SER GLY ILE PHE LEU GLU THR SER 0.435897 0.849057
34 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.435115 0.886792
35 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.434783 0.681818
36 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.434783 0.681818
37 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.434109 0.854545
38 ACE ILE TYR GLU SER LEU 0.433628 0.867925
39 GLY CYS VAL LEU SER 0.43299 0.823529
40 SER SER VAL VAL GLY VAL TRP TYR LEU 0.432836 0.830508
41 GLU THR PHE TYR VAL ASP GLY 0.429752 0.888889
42 LYS GLN THR SER VAL 0.428571 0.788462
43 SER LEU PHE ASN THR VAL ALA THR LEU 0.427419 0.882353
44 GLU VAL TYR GLU SER 0.427273 0.846154
45 THR ASN GLU TYR LYS VAL 0.426087 0.818182
46 SER GLN TYR TYR TYR ASN SER LEU 0.426087 0.872727
47 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.42446 0.738462
48 LEU ALA ILE TYR SER 0.423423 0.846154
49 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.422222 0.892857
50 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.421053 0.886792
51 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.42029 0.737705
52 SER SER VAL ILE GLY VAL TRP TYR LEU 0.414286 0.816667
53 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.412587 0.661765
54 PRO THR SER TYR ALA GLY ASP ASP SER GLY 0.411765 0.813559
55 FME TYR PHE ILE ASN ILE LEU THR LEU 0.410448 0.766667
56 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.408759 0.859649
57 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.408696 0.759259
58 GLY GLY LYS LYS LYS TYR GLN LEU 0.408333 0.818182
59 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.408163 0.716418
60 PRO SER TYR SEP PRO THR SEP PRO SER 0.407407 0.638889
61 GLY ASN PHE LEU GLN SER ARG 0.40625 0.766667
62 CYS VAL ASN GLY SER CYS PHE THR VAL 0.40625 0.867925
63 ASP ILE ALA TYR TYR THR SER GLU PRO 0.406015 0.731343
64 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.405797 0.766667
65 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.404959 0.865385
66 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.404412 0.727273
67 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.404255 0.753846
68 ALA VAL TYR ASN PHE ALA THR MET 0.403101 0.793103
69 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.401515 0.872727
70 LEU PHE GLY TYR PRO VAL TYR VAL 0.40146 0.681818
71 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.4 0.854545
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY SER TYR LEU VAL THR SER VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6MS1; Ligand: GLY SER TYR LEU VAL THR SER VAL; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6ms1.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZX ACE VAL LYS GLU SER LEU VAL 27.6596
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