Receptor
PDB id Resolution Class Description Source Keywords
1B9J 1.8 Å NON-ENZYME: TRANSPORT OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KLK SALMONELLA TYPHIMURIUM COMPLEX (PEPTIDE TRANSPORT/PEPTIDE) PEPTIDE TRANSPORT PEPTIDE BINDING PROTEIN
Ref.: CRYSTALLOGRAPHIC AND CALORIMETRIC ANALYSIS OF PEPTIDE BINDING TO OPPA PROTEIN. J.MOL.BIOL. V. 291 393 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IUM A:521;
A:522;
A:523;
A:524;
A:525;
A:526;
A:527;
A:528;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
270.028 O2 U [O-][...
LYS LEU LYS B:1;
Valid;
none;
Kd = 1100 nM
389.541 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B7H 2 Å NON-ENZYME: TRANSPORT OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL- NORLEUCYL-LYSINE SALMONELLA TYPHIMURIUM PERIPLASMIC PEPTIDE BINDING PROTEIN
Ref.: RELATING STRUCTURE TO THERMODYNAMICS: THE CRYSTAL STRUCTURES AND BINDING AFFINITY OF EIGHT OPPA-PEPTIDE COMPLEXES. PROTEIN SCI. V. 8 1432 1999
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1B5H Kd = 0.97 uM LYS DPP LYS n/a n/a
2 1B3G Kd = 200 nM LYS ILE LYS n/a n/a
3 1B40 Kd = 53 nM LYS PHE LYS n/a n/a
4 1JET Kd = 56 nM LYS ALA LYS n/a n/a
5 1B5I Kd = 90 nM LYS ASN LYS n/a n/a
6 1B5J Kd = 37 nM LYS GLN LYS n/a n/a
7 2OLB Kd = 2900 nM LYS LYS LYS n/a n/a
8 1B6H Kd = 0.015 uM LYS NVA LYS n/a n/a
9 1B7H Kd = 0.0095 uM LYS NLE LYS n/a n/a
10 1B0H Kd = 0.2 uM LYS ALN LYS n/a n/a
11 1B46 Kd = 5200 nM LYS PRO LYS n/a n/a
12 1B4Z Kd = 5900 nM LYS ASP LYS n/a n/a
13 1B3L Kd = 1300 nM LYS GLY LYS n/a n/a
14 1QKA Kd = 1200 nM LYS ARG LYS n/a n/a
15 1B3F Kd = 130 nM LYS HIS LYS n/a n/a
16 1B52 Kd = 76 nM LYS THR LYS n/a n/a
17 1OLA - VAL LYS PRO GLY n/a n/a
18 1B2H Kd = 29 uM LYS ORN LYS n/a n/a
19 1B4H Kd = 3.44 uM LYS DAB LYS n/a n/a
20 1B9J Kd = 1100 nM LYS LEU LYS n/a n/a
21 1OLC Kd = 2.7 uM LYS LYS LYS ALA n/a n/a
22 1B3H Kd = 0.62 uM LYS ALC LYS n/a n/a
23 1JEU Kd = 150 nM LYS GLU LYS n/a n/a
24 2RKM Ki = 125 uM LYS LYS n/a n/a
25 1B51 Kd = 43 nM LYS SER LYS n/a n/a
26 1B58 Kd = 260 nM LYS TYR LYS n/a n/a
27 1JEV Kd = 130 nM LYS TRP LYS n/a n/a
28 1QKB Kd = 45 nM LYS VAL LYS n/a n/a
29 1B1H Kd = 0.093 uM LYS HPE LYS n/a n/a
30 1B32 Kd = 79 nM LYS MET LYS n/a n/a
31 1B05 Kd = 75 nM LYS CYS LYS n/a n/a
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1B5H Kd = 0.97 uM LYS DPP LYS n/a n/a
2 1B3G Kd = 200 nM LYS ILE LYS n/a n/a
3 1B40 Kd = 53 nM LYS PHE LYS n/a n/a
4 1JET Kd = 56 nM LYS ALA LYS n/a n/a
5 1B5I Kd = 90 nM LYS ASN LYS n/a n/a
6 1B5J Kd = 37 nM LYS GLN LYS n/a n/a
7 2OLB Kd = 2900 nM LYS LYS LYS n/a n/a
8 1B6H Kd = 0.015 uM LYS NVA LYS n/a n/a
9 1B7H Kd = 0.0095 uM LYS NLE LYS n/a n/a
10 1B0H Kd = 0.2 uM LYS ALN LYS n/a n/a
11 1B46 Kd = 5200 nM LYS PRO LYS n/a n/a
12 1B4Z Kd = 5900 nM LYS ASP LYS n/a n/a
13 1B3L Kd = 1300 nM LYS GLY LYS n/a n/a
14 1QKA Kd = 1200 nM LYS ARG LYS n/a n/a
15 1B3F Kd = 130 nM LYS HIS LYS n/a n/a
16 1B52 Kd = 76 nM LYS THR LYS n/a n/a
17 1OLA - VAL LYS PRO GLY n/a n/a
18 1B2H Kd = 29 uM LYS ORN LYS n/a n/a
19 1B4H Kd = 3.44 uM LYS DAB LYS n/a n/a
20 1B9J Kd = 1100 nM LYS LEU LYS n/a n/a
21 1OLC Kd = 2.7 uM LYS LYS LYS ALA n/a n/a
22 1B3H Kd = 0.62 uM LYS ALC LYS n/a n/a
23 1JEU Kd = 150 nM LYS GLU LYS n/a n/a
24 2RKM Ki = 125 uM LYS LYS n/a n/a
25 1B51 Kd = 43 nM LYS SER LYS n/a n/a
26 1B58 Kd = 260 nM LYS TYR LYS n/a n/a
27 1JEV Kd = 130 nM LYS TRP LYS n/a n/a
28 1QKB Kd = 45 nM LYS VAL LYS n/a n/a
29 1B1H Kd = 0.093 uM LYS HPE LYS n/a n/a
30 1B32 Kd = 79 nM LYS MET LYS n/a n/a
31 1B05 Kd = 75 nM LYS CYS LYS n/a n/a
32 6DQT - LEU GLY GLY n/a n/a
33 6DTG - TYR LEU GLY ALA ASN GLY n/a n/a
34 6DQR - MET GLY GLY n/a n/a
35 6DTH - ARG PRO PRO GLY PHE n/a n/a
36 6DQQ - ALA ALA ALA ALA n/a n/a
37 6DQU - GLY ILE ILE ASN THR LEU n/a n/a
38 6DTF - LYS LYS LYS n/a n/a
39 3TCG Kd = 0.00000145 M LYS GLY GLU n/a n/a
40 2Z23 - LYS LYS LYS n/a n/a
50% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3O9P Kd = 0.3 uM MHI C15 H26 N4 O8 C[C@@H](C(....
2 1B5H Kd = 0.97 uM LYS DPP LYS n/a n/a
3 1B3G Kd = 200 nM LYS ILE LYS n/a n/a
4 1B40 Kd = 53 nM LYS PHE LYS n/a n/a
5 1JET Kd = 56 nM LYS ALA LYS n/a n/a
6 1B5I Kd = 90 nM LYS ASN LYS n/a n/a
7 1B5J Kd = 37 nM LYS GLN LYS n/a n/a
8 2OLB Kd = 2900 nM LYS LYS LYS n/a n/a
9 1B6H Kd = 0.015 uM LYS NVA LYS n/a n/a
10 1B7H Kd = 0.0095 uM LYS NLE LYS n/a n/a
11 1B0H Kd = 0.2 uM LYS ALN LYS n/a n/a
12 1B46 Kd = 5200 nM LYS PRO LYS n/a n/a
13 1B4Z Kd = 5900 nM LYS ASP LYS n/a n/a
14 1B3L Kd = 1300 nM LYS GLY LYS n/a n/a
15 1QKA Kd = 1200 nM LYS ARG LYS n/a n/a
16 1B3F Kd = 130 nM LYS HIS LYS n/a n/a
17 1B52 Kd = 76 nM LYS THR LYS n/a n/a
18 1OLA - VAL LYS PRO GLY n/a n/a
19 1B2H Kd = 29 uM LYS ORN LYS n/a n/a
20 1B4H Kd = 3.44 uM LYS DAB LYS n/a n/a
21 1B9J Kd = 1100 nM LYS LEU LYS n/a n/a
22 1OLC Kd = 2.7 uM LYS LYS LYS ALA n/a n/a
23 1B3H Kd = 0.62 uM LYS ALC LYS n/a n/a
24 1JEU Kd = 150 nM LYS GLU LYS n/a n/a
25 2RKM Ki = 125 uM LYS LYS n/a n/a
26 1B51 Kd = 43 nM LYS SER LYS n/a n/a
27 1B58 Kd = 260 nM LYS TYR LYS n/a n/a
28 1JEV Kd = 130 nM LYS TRP LYS n/a n/a
29 1QKB Kd = 45 nM LYS VAL LYS n/a n/a
30 1B1H Kd = 0.093 uM LYS HPE LYS n/a n/a
31 1B32 Kd = 79 nM LYS MET LYS n/a n/a
32 1B05 Kd = 75 nM LYS CYS LYS n/a n/a
33 6DQT - LEU GLY GLY n/a n/a
34 6DTG - TYR LEU GLY ALA ASN GLY n/a n/a
35 6DQR - MET GLY GLY n/a n/a
36 6DTH - ARG PRO PRO GLY PHE n/a n/a
37 6DQQ - ALA ALA ALA ALA n/a n/a
38 6DQU - GLY ILE ILE ASN THR LEU n/a n/a
39 6DTF - LYS LYS LYS n/a n/a
40 3TCG Kd = 0.00000145 M LYS GLY GLU n/a n/a
41 2Z23 - LYS LYS LYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS LEU LYS; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS LEU LYS 1 1
2 LYS LYS LYS 0.735849 0.9
3 LYS LYS 0.72 0.875
4 LYS DPP LYS 0.690909 0.837209
5 LYS NVA LYS 0.684211 0.926829
6 LYS DAB LYS 0.678571 0.857143
7 LYS NLE LYS 0.672414 0.904762
8 LYS CYS LYS 0.666667 0.857143
9 LYS ALA LYS 0.666667 0.925
10 LYS SER LYS 0.666667 0.8
11 LYS ASP LYS 0.655172 0.857143
12 LYS ASN LYS 0.644068 0.818182
13 LYS GLU LYS 0.633333 0.878049
14 LYS MET LYS 0.629032 0.863636
15 LYS GLN LYS 0.622951 0.878049
16 LYS LYS LYS ALA 0.616667 0.925
17 LYS VAL LYS 0.616667 0.975
18 LYS THR LYS LEU LEU 0.614286 0.888889
19 ALA LYS 0.603774 0.875
20 LYS ORN LYS 0.603175 0.857143
21 LYS ASN LEU 0.603175 0.886364
22 LYS THR LYS 0.596774 0.822222
23 LYS ILE LYS 0.587302 0.951219
24 HIS GLU GLU LEU ALA LYS LEU 0.583333 0.951219
25 LYS ARG LYS 0.567164 0.782609
26 GLN LYS 0.559322 0.853659
27 VAL LYS 0.553571 0.925
28 LYS ALC LYS 0.550725 0.837209
29 LYS GLY LYS 0.548387 0.857143
30 LYS HIS LYS 0.541667 0.72
31 LYS HPE LYS 0.535211 0.837209
32 LYS TYR LYS 0.535211 0.75
33 LYS LEU LEU PHE 0.527027 0.860465
34 LEU LEU LEU 0.517241 0.8
35 LEU LYS THR LYS LEU LEU 0.513158 0.888889
36 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.507042 0.866667
37 PHE GLU ALA LYS LYS LEU VAL 0.506849 1
38 SER LEU LEU LYS LYS LEU LEU ASP 0.506667 0.851064
39 PRO LEU SER LYS 0.506494 0.784314
40 LYS LEU VAL GLN LEU LEU THR THR THR 0.5 0.829787
41 ALA PRO ALA LEU ARG VAL VAL LYS 0.493976 0.869565
42 PHE LEU ALA TYR LYS 0.488889 0.78
43 PHE LEU SER TYR LYS 0.488889 0.722222
44 ARG ASP ARG ALA ALA LYS LEU 0.4875 0.869565
45 LYS ALN LYS 0.487179 0.765957
46 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.48 0.866667
47 LYS ALA THR LYS MLY 0.478873 0.769231
48 ALA ARG LYS LEU ASP 0.475 0.833333
49 DAS DLY 0.466667 0.733333
50 LYS TRP LYS 0.463415 0.705882
51 LYS CYS VAL VAL MET 0.448718 0.866667
52 SER LEU LYS LEU MET THR THR VAL 0.448276 0.764706
53 ALA LEU ALA LEU 0.4375 0.8
54 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.434783 0.95
55 ASN LEU LEU GLN LYS LYS 0.433735 0.863636
56 ILE LYS LEU GLU THR LYS LYS THR LYS LEU 0.432099 0.816327
57 LYS VAL LEU PHE LEU ASP GLY 0.416667 0.847826
58 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.416667 0.833333
59 GLU LEU ASP LYS TYR ALA SER 0.415842 0.735849
60 ALA LYS ALA ALA 0.414286 0.875
61 ALA LEU ASP LEU PHE 0.413333 0.711111
62 PRO PRO LYS LYS LYS ARG LYS VAL 0.4125 0.804348
63 GLU ASP LEU 0.411765 0.809524
64 GLN LEU ALA 0.411765 0.780488
65 GLU LEU ARG ARG LYS MET MET TYR MET 0.411215 0.666667
66 ALA LEU 0.410714 0.725
67 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.406593 0.78
68 LYS LEU THR PRO LEU CYS VAL THR LEU 0.40566 0.677966
69 LYS ALA SER VAL GLY 0.405063 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1B7H; Ligand: LYS NLE LYS; 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: 1b7h.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback