Receptor
PDB id Resolution Class Description Source Keywords
6DTG 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE OPPA COMPLEX WIT YLGANGRGGGS HAEMOPHILUS INFLUENZAE (STRAIN 86-028NORGANISM_TAXID: 281310 SUBSTRATE-BINDING PROTEIN ABC TRANSPORTER PEPTIDE BINDING
Ref.: OLIGOPEPTIDE-BINDING PROTEIN FROM NONTYPEABLEHAEMOP INFLUENZAEHAS LIGAND-SPECIFIC SITES TO ACCOMMODATE AND HEME IN THE BINDING POCKET. J. BIOL. CHEM. 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR LEU GLY ALA ASN GLY B:1;
Valid;
Atoms found LESS than expected: % Diff = 0.024;
submit data
578.647 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DQU 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE OPPA COMPLEX WIT HAEMOPHILUS INFLUENZAE (STRAIN 86-028NORGANISM_TAXID: 281310 SUBSTRATE-BINDING PROTEIN ABC TRANSPORTER PEPTIDE BINDING
Ref.: OLIGOPEPTIDE-BINDING PROTEIN FROM NONTYPEABLEHAEMOP INFLUENZAEHAS LIGAND-SPECIFIC SITES TO ACCOMMODATE AND HEME IN THE BINDING POCKET. J. BIOL. CHEM. 2018
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 6DQT - LEU GLY GLY n/a n/a
2 6DTG - TYR LEU GLY ALA ASN GLY n/a n/a
3 6DQR - MET GLY GLY n/a n/a
4 6DTH - ARG PRO PRO GLY PHE n/a n/a
5 6DQQ - ALA ALA ALA ALA n/a n/a
6 6DQU - GLY ILE ILE ASN THR LEU n/a n/a
7 6DTF - LYS LYS 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: TYR LEU GLY ALA ASN GLY; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR LEU GLY ALA ASN GLY 1 1
2 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.511364 0.795918
3 SER LYS TYR GLY LEU GLN ASP 0.48913 0.918367
4 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.471698 0.857143
5 SER PHE ALA ASN GLY 0.470588 0.788462
6 TYR VAL ASP GLY ALA 0.466019 0.92
7 ARG GLN ALA ASN PHE LEU GLY LYS 0.455357 0.88
8 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.452381 0.737705
9 PHE GLU ALA ASN GLY ASN LEU ILE 0.435484 0.830189
10 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.42963 0.737705
11 TYR GLY GLY PHE LEU 0.427273 0.849057
12 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.424 0.923077
13 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.421488 0.865385
14 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.417391 0.857143
15 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.417391 0.826923
16 PHE LEU ALA TYR LYS 0.413793 0.781818
17 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.410853 0.90566
18 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.405594 0.7
19 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.403226 0.79661
20 SER LEU TYR ASN THR VAL ALA THR LEU 0.403226 0.849057
21 ASP ASP LEU TYR GLY 0.401869 0.901961
22 SER LEU TYR ASN VAL VAL ALA THR LEU 0.4 0.849057
23 SER LEU TYR ASN THR ILE ALA THR LEU 0.4 0.851852
24 PHE ARG TYR LEU GLY 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6DQU; Ligand: GLY ILE ILE ASN THR LEU; 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: 6dqu.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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