Receptor
PDB id Resolution Class Description Source Keywords
2D0N 1.57 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE C-TERMINAL SH3 DOMAIN OF THE ADAPTOR PROTEIN GADS IN COMPLEX WITH SLP-76 MOTIF PEPTIDE R EVEALS A UNIQUE SH3-SH3 INTERACTION MUS MUSCULUS SH3 DOMAIN/COMPLEX MONA/GADS SH3C DOMAIN SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE C-TERMINAL SH3 DOMAIN OF THE ADAPTOR PROTEIN GADS IN COMPLEX WITH SLP-76 MOTIF PEPTIDE REVEALS A UNIQUE SH3-SH3 INTERACTION INT.J.BIOCHEM.CELL BIOL. V. 39 109 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO SER ILE ASP ARG SER THR LYS PRO B:233;
D:233;
 Valid;
Valid;
 none;
none;
 submit data
1001.13 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D0N 1.57 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE C-TERMINAL SH3 DOMAIN OF THE ADAPTOR PROTEIN GADS IN COMPLEX WITH SLP-76 MOTIF PEPTIDE R EVEALS A UNIQUE SH3-SH3 INTERACTION MUS MUSCULUS SH3 DOMAIN/COMPLEX MONA/GADS SH3C DOMAIN SIGNALING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE C-TERMINAL SH3 DOMAIN OF THE ADAPTOR PROTEIN GADS IN COMPLEX WITH SLP-76 MOTIF PEPTIDE REVEALS A UNIQUE SH3-SH3 INTERACTION INT.J.BIOCHEM.CELL BIOL. V. 39 109 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 40 families.
1 6A9C - LYS VAL ALA PRO PRO ILE PRO HIS ARG n/a n/a
2 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
3 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
4 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
5 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
6 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
7 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
9 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
10 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
11 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
12 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
13 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
14 4HXJ Kd ~ 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO SER ILE ASP ARG SER THR LYS PRO; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO SER ILE ASP ARG SER THR LYS PRO 1 1
2 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.621429 0.955882
3 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.564103 0.942857
4 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.531034 0.882353
5 PRO PRO LYS ARG ILE ALA 0.527397 0.880597
6 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.523179 0.805556
7 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.522876 0.942029
8 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.518519 0.928571
9 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.50625 0.916667
10 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.505882 0.901408
11 ARG PRO LYS ARG ILE ALA 0.503448 0.880597
12 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.5 0.794118
13 LEU PRO PHE ASP LYS SER THR ILE MET 0.494048 0.810811
14 TYR PRO LYS ARG ILE ALA 0.493506 0.859155
15 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.493333 0.941176
16 SER ALA PRO ASP THR ARG PRO ALA 0.493333 0.955882
17 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.489796 0.882353
18 PRO SER ARG VAL 0.484375 0.794118
19 LEU PRO PHE ASP ARG THR THR ILE MET 0.482143 0.878378
20 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.480519 0.970149
21 LYS PRO VAL LEU ARG THR ALA 0.480263 0.911765
22 SER ARG LYS ILE ASP ASN LEU ASP 0.466667 0.782609
23 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.466667 0.902778
24 ASN ARG PRO ILE LEU SER LEU 0.463576 0.927536
25 GLY ASP CYS PHE SER LYS PRO ARG 0.460606 0.871429
26 ALA ARG LYS ILE ASP ASN LEU ASP 0.459459 0.73913
27 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.458564 0.805195
28 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.457516 0.941176
29 ASP ILE ASN TYR TYR THR SER GLU PRO 0.45625 0.810811
30 ALA PRO ASP THR ARG PRO ALA PRO NGA 0.455056 0.866667
31 SER PRO LYS ARG ILE ALA 0.452055 0.910448
32 SER ARG ASP HIS SER ARG THR PRO MET 0.450867 0.891892
33 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.449102 0.955882
34 3BY PRO LYS ARG ILE ALA 0.448052 0.84507
35 ASP LEU THR ARG PRO 0.444444 0.926471
36 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.444444 0.927536
37 LEU PRO PHE ASP LYS THR THR ILE MET 0.443787 0.797297
38 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.441176 0.75
39 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.440476 0.819444
40 5JP PRO LYS ARG ILE ALA 0.44 0.884058
41 ALA PRO ASP THR ARG PRO ALA PRO 0.44 0.941176
42 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.437909 0.666667
43 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.437838 0.893333
44 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.437838 0.88
45 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.437126 0.782609
46 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.436242 0.753623
47 GLU ARG THR ILE PRO ILE THR ARG GLU 0.434211 0.940298
48 PRO PRO LYS LYS LYS ARG LYS VAL 0.432432 0.808824
49 LEU PRO PRO GLU GLU ARG LEU ILE 0.432258 0.882353
50 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.43125 0.890411
51 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.43125 0.911765
52 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.431138 0.914286
53 ALA ARG MLZ SER ALA PRO ALA THR 0.43038 0.901408
54 1IP CYS PHE SER LYS PRO ARG 0.428571 0.861111
55 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.428571 0.888889
56 PRO THR SER SER GLU GLN ILE 0.422535 0.791045
57 DTY ILE ARG LEU LPD 0.422078 0.819444
58 SER HIS PRO ARG PRO ILE ARG VAL 0.421687 0.915493
59 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.421053 0.87013
60 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.417526 0.858974
61 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.416107 0.838235
62 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.415663 0.942857
63 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.415385 0.866667
64 ARG ARG ARG GLU ARG SER PRO THR ARG 0.415094 0.940298
65 LEU PRO PHE GLU ARG ALA THR ILE MET 0.414365 0.864865
66 ILE THR ASP GLN VAL PRO PHE SER VAL 0.414201 0.842857
67 ILE GLN GLN SER ILE GLU ARG ILE 0.413793 0.761194
68 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.41358 0.794521
69 GLU LYS PRO SER SER SER 0.411348 0.820895
70 THR PRO ARG ARG SER MLZ SER ALA 0.410596 0.887324
71 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.409639 0.810811
72 SER SER TYR ARG ARG PRO VAL GLY ILE 0.409357 0.916667
73 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.409091 0.891892
74 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.408805 0.898551
75 ARG GLU ARG SER PRO THR ARG 0.408451 0.895522
76 ALA PHE ARG ILE PRO LEU THR ARG 0.408284 0.914286
77 VAL THR THR ASP ILE GLN VAL LYS VAL 0.408163 0.676471
78 ILE SER PRO ARG THR LEU ASP ALA TRP 0.407407 0.917808
79 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.406593 0.929577
80 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.40404 0.858974
81 SER GLU LEU GLU ILE LYS ARG TYR 0.403727 0.763889
82 LYS ARG ARG ARG HIS PRO SER GLY 0.402439 0.871429
83 PHE PRO THR LYS ASP VAL ALA LEU 0.402367 0.828571
84 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.402367 0.857143
85 MET CYS PRO ARG MET THR ALA VAL MET 0.402367 0.875
86 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.402116 0.855263
87 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.4 0.794118
88 ASP ILE ASN TYS TYS THR SER GLU PRO 0.4 0.693182
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO SER ILE ASP ARG SER THR LYS PRO; 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 : 2D0N; Ligand: PRO SER ILE ASP ARG SER THR LYS PRO; 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: 2d0n.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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