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:601;
 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 552 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 426 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 322 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 (2D)
Ligand no: 1; Ligand: ARG PRO PRO GLY PHE SER PRO PHE ALA; Similar ligands found: 103
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 0.651163 0.876923
3 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.651163 0.876923
4 ARG THR PHE SER PRO THR TYR GLY LEU 0.566879 0.876712
5 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.560976 0.885714
6 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.54902 0.828571
7 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.527607 0.873239
8 ARG SEP PRO VAL PHE SER 0.522581 0.821918
9 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.50641 0.777778
10 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.49375 0.859155
11 THR PRO PRO SER PRO PHE 0.488889 0.835821
12 DPN PRO DAR CYS NH2 0.482014 0.791045
13 ARG PRO MET THR PHE LYS GLY ALA LEU 0.48 0.789474
14 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.476744 0.797468
15 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.475904 0.833333
16 ARG PRO PRO LYS PRO ARG PRO ARG 0.472222 0.815385
17 DPN PRO DAR DTH NH2 0.471831 0.865672
18 GLY PHE ARG PRO 0.470588 0.833333
19 DPN PRO ARG 0.470149 0.80303
20 GLY ASP CYS PHE SER LYS PRO ARG 0.469512 0.897059
21 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.468354 0.855072
22 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.467949 0.888889
23 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.465517 0.830986
24 1IP CYS PHE SER LYS PRO ARG 0.463415 0.885714
25 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.462963 0.816901
26 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.462428 0.859155
27 DPN PRO DAR ILE NH2 0.461538 0.794118
28 SER SER TYR ARG ARG PRO VAL GLY ILE 0.460606 0.863014
29 GLU PRO GLY GLY SER ARG 0.458333 0.865672
30 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.45614 0.821918
31 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.45614 0.847222
32 GLU PHE SER PRO 0.455224 0.80303
33 ARG PHE PRO LEU THR PHE GLY TRP 0.455056 0.863014
34 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.453947 0.808824
35 ARG TYR PRO LEU THR PHE GLY TRP 0.453552 0.84
36 PHE ASN ARG PRO VAL 0.453333 0.814286
37 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.453125 0.853333
38 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.452941 0.898551
39 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.448864 0.888889
40 PHE PRO ARG 0.448529 0.8
41 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.447917 0.842105
42 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.446809 0.864865
43 PRO ALA PRO PHE ALA SER ALA 0.446667 0.808824
44 ARG GLY PRO GLY CYS ALA PHE VAL THR ILE 0.443182 0.821918
45 ALA PHE ARG ILE PRO LEU THR ARG 0.442424 0.833333
46 GLY SER ASP PRO PHE LYS 0.442177 0.820895
47 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.441718 0.712329
48 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.441341 0.864865
49 LEU PRO PHE ASP ARG THR THR ILE MET 0.439306 0.802632
50 THR PRO ARG ARG SER MLZ SER ALA 0.439189 0.808219
51 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.438202 0.901408
52 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.438202 0.849315
53 TYR PRO PHE PHE NH2 0.437956 0.75
54 ARG PRO MET THR TYR LYS GLY ALA LEU 0.436464 0.782051
55 01B PRO PRO ALA NH2 0.43609 0.779412
56 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.436047 0.861111
57 LEU PRO PHE GLU ARG ALA THR VAL MET 0.435028 0.8
58 GLY MET PRO ARG GLY ALA 0.432432 0.75
59 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.432099 0.780822
60 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.430233 0.847222
61 LEU PHE GLY TYR PRO VAL TYR VAL 0.428571 0.75
62 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.428571 0.791667
63 ARG PRO LYS PRO LEU VAL ASP PRO 0.425676 0.808824
64 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.425287 0.767123
65 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.424731 0.847222
66 ARG LEU TYR HIS SEP LEU PRO ALA 0.423729 0.797468
67 LEU PRO PHE GLU ARG ALA THR ILE MET 0.422222 0.789474
68 VAL MET ALA PRO ARG THR LEU PHE LEU 0.421965 0.776316
69 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.421875 0.842105
70 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.421769 0.835821
71 ACE GLY LYS SER PHE SER LYS PRO ARG 0.421384 0.8
72 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.420118 0.72973
73 THR THR ALA PRO PHE LEU SER GLY LYS 0.420118 0.777778
74 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.419355 0.802632
75 PRO ALA PRO PHE ALA ALA ALA 0.418919 0.746269
76 ALA ARG SER HIS SEP TYR PRO ALA 0.418079 0.807692
77 ALA CYS SEP PRO GLN PHE GLY 0.416149 0.753425
78 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.41573 0.864865
79 ACE SER LEU ARG PRO ALA PRO LPD 0.415584 0.857143
80 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.415385 0.84
81 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.415094 0.84058
82 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.413978 0.869565
83 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.413174 0.75
84 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.413174 0.75
85 LEU SER SER PRO VAL THR LYS SER PHE 0.412121 0.785714
86 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.411765 0.76
87 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.411765 0.835616
88 GLY GLY CYS PHE SER LYS PRO LYS MYR 0.411429 0.777778
89 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.411043 0.850746
90 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.409639 0.760563
91 LEU ASN PHE PRO ILE SER PRO 0.409091 0.791667
92 ALA THR PRO PHE GLN GLU 0.409091 0.764706
93 ARG VAL ALA SER PRO THR SER GLY VAL 0.408805 0.842857
94 HIS HIS ALA SER PRO ARG LYS 0.408284 0.910448
95 LYS THR PHE PRO PRO THR GLU PRO LYS 0.407186 0.811594
96 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.406977 0.871429
97 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.40678 0.730769
98 ARG PRO LYS ARG ILE ALA 0.406452 0.797101
99 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.402367 0.776316
100 LYS PRO PHE PTR VAL ASN VAL NH2 0.402367 0.730769
101 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.402367 0.819444
102 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.401198 0.77027
103 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.4 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG PRO PRO GLY PHE SER PRO PHE ALA; 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 : 3DRG; Ligand: ARG PRO PRO GLY PHE SER PRO PHE ALA; 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: 3drg.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
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