Receptor
PDB id Resolution Class Description Source Keywords
3DRG 2.5 Å NON-ENZYME: BINDING LACTOCOCCAL OPPA COMPLEXED WITH BRADYKININ IN THE CLOSED CON LACTOCOCCUS LACTIS OLIGO-PEPTIDE BINDING VOLUMINOUS BINDING CAVITY VENUS FLY-PEPTIDE BINDING PROTEIN
Ref.: THE STRUCTURAL BASIS FOR PEPTIDE SELECTION BY THE T RECEPTOR OPPA EMBO J. V. 28 1332 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG PRO PRO GLY PHE SER PRO PHE ALA B:1;
Valid;
none;
Kd = 0.1 uM
961.135 n/a O=C(N...
CL A:579;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DRG 2.5 Å NON-ENZYME: BINDING LACTOCOCCAL OPPA COMPLEXED WITH BRADYKININ IN THE CLOSED CON LACTOCOCCUS LACTIS OLIGO-PEPTIDE BINDING VOLUMINOUS BINDING CAVITY VENUS FLY-PEPTIDE BINDING PROTEIN
Ref.: THE STRUCTURAL BASIS FOR PEPTIDE SELECTION BY THE T RECEPTOR OPPA EMBO J. V. 28 1332 2009
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3DRJ - ALA HIS ALA LYS ALA n/a n/a
2 3DRF - ALA SER ASN SER ILE ALA SER GLY n/a n/a
3 3DRG Kd = 0.1 uM ARG PRO PRO GLY PHE SER PRO PHE ALA n/a n/a
4 3DRK - SER PHE ALA ASN GLY n/a n/a
5 3RYB Kd = 4.2 uM SER LEU SER GLN SER LEU SER GLN SER n/a n/a
6 3DRI - ALA ALA SER ALA SER ALA n/a n/a
7 3DRH - ALA ALA ALA ALA ALA ALA n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3DRJ - ALA HIS ALA LYS ALA n/a n/a
2 3DRF - ALA SER ASN SER ILE ALA SER GLY n/a n/a
3 3DRG Kd = 0.1 uM ARG PRO PRO GLY PHE SER PRO PHE ALA n/a n/a
4 3DRK - SER PHE ALA ASN GLY n/a n/a
5 3RYB Kd = 4.2 uM SER LEU SER GLN SER LEU SER GLN SER n/a n/a
6 3DRI - ALA ALA SER ALA SER ALA n/a n/a
7 3DRH - ALA ALA ALA ALA ALA ALA n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3DRJ - ALA HIS ALA LYS ALA n/a n/a
2 3DRF - ALA SER ASN SER ILE ALA SER GLY n/a n/a
3 3DRG Kd = 0.1 uM ARG PRO PRO GLY PHE SER PRO PHE ALA n/a n/a
4 3DRK - SER PHE ALA ASN GLY n/a n/a
5 3RYB Kd = 4.2 uM SER LEU SER GLN SER LEU SER GLN SER n/a n/a
6 3DRI - ALA ALA SER ALA SER ALA n/a n/a
7 3DRH - ALA ALA ALA ALA ALA ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG PRO PRO GLY PHE SER PRO PHE ALA; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG PRO PRO GLY PHE SER PRO PHE ALA 1 1
2 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.631579 0.863636
3 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.56875 0.9
4 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.509317 0.955882
5 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.503268 0.753425
6 ARG SEP PRO VAL PHE SER 0.503226 0.821918
7 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.497006 0.873239
8 ARG PRO PRO LYS PRO ARG PRO ARG 0.492857 0.815385
9 THR PRO PRO SER PRO PHE 0.492647 0.820895
10 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.491124 0.887324
11 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.475 0.859155
12 DPN PRO DAR DTH NH2 0.47482 0.878788
13 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.474684 0.816901
14 DPN PRO DAR CYS NH2 0.474453 0.80303
15 ARG PRO MET THR PHE LYS GLY ALA LEU 0.473684 0.789474
16 DPN PRO ARG 0.465649 0.80303
17 DPN PRO DAR ILE NH2 0.464286 0.794118
18 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.463855 0.833333
19 GLY PHE ARG PRO 0.459259 0.833333
20 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.45614 0.797468
21 PHE PRO ARG 0.454545 0.8
22 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.45283 0.819444
23 PHE ASN ARG PRO VAL 0.452055 0.814286
24 GLY SER ASP PRO PHE LYS 0.451389 0.80597
25 ARG PHE PRO LEU THR PHE GLY TRP 0.448864 0.863014
26 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.447674 0.847222
27 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.447368 0.853333
28 ARG PRO PRO GLY PHE THR PRO PHE ARG 0.447154 0.815385
29 PRO ALA PRO PHE ALA SER ALA 0.446667 0.794118
30 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.446541 0.814286
31 SER SER TYR ARG ARG PRO VAL GLY ILE 0.445783 0.863014
32 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.442529 0.888889
33 ARG TYR PRO LEU THR PHE GLY TRP 0.441989 0.84
34 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.441718 0.776316
35 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.440994 0.888889
36 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.44086 0.864865
37 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.440476 0.898551
38 GLU PRO GLY GLY SER ARG 0.4375 0.865672
39 GLU PHE SER PRO 0.43609 0.787879
40 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.434555 0.842105
41 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.432749 0.861111
42 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.432584 0.876712
43 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.432584 0.876712
44 VAL MET ALA PRO ARG THR LEU PHE LEU 0.431953 0.776316
45 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.431694 0.842105
46 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.430939 0.847222
47 THR PRO ARG ARG SER MLZ SER ALA 0.42953 0.808219
48 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.428571 0.780822
49 ARG PRO LYS PRO LEU VAL ASP PRO 0.427586 0.808824
50 TYR PRO PHE PHE NH2 0.427536 0.735294
51 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.426966 0.849315
52 ARG PRO MET THR TYR LYS GLY ALA LEU 0.426966 0.782051
53 LEU PRO PHE GLU ARG ALA THR VAL MET 0.426136 0.8
54 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.425287 0.791667
55 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.424419 0.753425
56 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.42246 0.84
57 LEU PHE GLY TYR PRO VAL TYR VAL 0.42236 0.736111
58 LEU PRO PHE ASP ARG THR THR ILE MET 0.421965 0.802632
59 PRO ALA PRO PHE ALA ALA ALA 0.418919 0.716418
60 SER ASP ILE LEU PHE PRO ALA ASP SER 0.417722 0.760563
61 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.417647 0.816901
62 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.416667 0.84058
63 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.411765 0.7125
64 ARG LEU TYR HIS SEP LEU PRO ALA 0.411429 0.797468
65 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.411111 0.901408
66 LEU PRO PHE GLU ARG ALA THR ILE MET 0.411111 0.789474
67 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.411043 0.760563
68 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.410714 0.76
69 ARG ARG ARG GLU ARG SER PRO THR ARG 0.410256 0.882353
70 HIS HIS ALA SER PRO ARG LYS 0.409639 0.910448
71 LYS THR PHE PRO PRO THR GLU PRO LYS 0.409639 0.782609
72 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.405882 0.871429
73 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.404762 0.736111
74 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.404762 0.736111
75 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.40411 0.835821
76 ARG PRO LYS ARG ILE ALA 0.403974 0.797101
77 ALA CYS SEP PRO GLN PHE GLY 0.403727 0.753425
78 ALA ARG SER HIS SEP TYR PRO ALA 0.403409 0.807692
79 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.402367 0.835616
80 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.402367 0.777778
81 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.402174 0.869565
82 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.402116 0.824324
83 01B PRO PRO ALA NH2 0.40146 0.735294
84 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.401163 0.726027
85 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.40113 0.717949
86 LEU ASN PHE PRO ILE SER PRO 0.4 0.791667
87 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.4 0.802632
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DRG; Ligand: ARG PRO PRO GLY PHE SER PRO PHE ALA; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 3drg.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MSD AMP 0.03323 0.40498 1.69492
2 3L8H FX1 0.03688 0.42995 2.7933
3 2RC8 DSN 0.003967 0.47501 3.06122
4 5E6O TRP GLU GLU LEU 0.03773 0.41554 8.47458
5 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.005488 0.40315 39.4231
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