Receptor
PDB id Resolution Class Description Source Keywords
5IXG 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA BCNB BURKHOLDERIA CENOCEPACIA PC184 BETA BARREL LIPOCALIN UNKNOWN FUNCTION
Ref.: ANTIBIOTIC CAPTURE BY BACTERIAL LIPOCALINS UNCOVERS EXTRACELLULAR MECHANISM OF INTRINSIC ANTIBIOTIC RES MBIO V. 8 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG B:202;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
OTP C:201;
A:201;
D:201;
B:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IXG 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA BCNB BURKHOLDERIA CENOCEPACIA PC184 BETA BARREL LIPOCALIN UNKNOWN FUNCTION
Ref.: ANTIBIOTIC CAPTURE BY BACTERIAL LIPOCALINS UNCOVERS EXTRACELLULAR MECHANISM OF INTRINSIC ANTIBIOTIC RES MBIO V. 8 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5IXG - OTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5IXG - OTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5IXG - OTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OTP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 OTP 1 1
2 GRG 1 0.975
3 ZTP 1 1
4 FPP 1 0.975
5 VTP 1 1
6 GPP 0.911111 0.95
7 DSL 0.744681 0.925
8 FJP 0.744681 0.9
9 0K3 0.744681 0.925
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 FGG 0.590164 0.906977
13 2CF 0.57377 0.906977
14 FPF 0.57377 0.906977
15 10D 0.568627 0.767442
16 10E 0.568627 0.6875
17 MGM 0.5625 0.75
18 DMA 0.5625 0.825
19 A4S 0.558824 0.685185
20 3E9 0.555556 0.928571
21 FPS 0.551724 0.860465
22 GGS 0.551724 0.860465
23 H6P 0.54902 0.767442
24 FPQ 0.539683 0.808511
25 10G 0.538462 0.75
26 FII 0.507937 0.655172
27 GST 0.482759 0.837209
28 PS7 0.48 0.886364
29 FHP 0.473684 0.744186
30 1NH 0.457831 0.755102
31 0FV 0.442623 0.883721
32 LA6 0.442623 0.883721
33 749 0.428571 0.875
34 SZH 0.428571 0.644068
35 9GB 0.415094 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IXG; Ligand: OTP; 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: 5ixg.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5IXG; Ligand: OTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5ixg.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5IXG; Ligand: OTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5ixg.bio2) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5IXG; Ligand: OTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5ixg.bio2) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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