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Receptor
PDB id Resolution Class Description Source Keywords
5DRN 1.99 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU24 IN COMPL HYPUSINE ORYCTOLAGUS CUNICULUS HYPUSINE ANTIBODY FABHPU24 EIF5A IMMUNE SYSTEM
Ref.: STRUCTURAL ANALYSIS AND OPTIMIZATION OF CONTEXT-IND ANTI-HYPUSINE ANTIBODIES. J.MOL.BIOL. V. 428 603 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL L:301;
B:302;
H:301;
L:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
5CT L:303;
B:301;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
submit data
233.308 C10 H23 N3 O3 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DRN 1.99 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU24 IN COMPL HYPUSINE ORYCTOLAGUS CUNICULUS HYPUSINE ANTIBODY FABHPU24 EIF5A IMMUNE SYSTEM
Ref.: STRUCTURAL ANALYSIS AND OPTIMIZATION OF CONTEXT-IND ANTI-HYPUSINE ANTIBODIES. J.MOL.BIOL. V. 428 603 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5DRN - 5CT C10 H23 N3 O3 C(CCNC[C@H....
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 5DRN - 5CT C10 H23 N3 O3 C(CCNC[C@H....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3U7Y - FLC C6 H5 O7 C(C(=O)[O-....
2 1NC4 - DOF C23 H33 N5 O10 c1cc(ccc1C....
3 5DS8 - GLY 5CT GLY ALA n/a n/a
4 5DRN - 5CT C10 H23 N3 O3 C(CCNC[C@H....
5 3KDM Kd = 0.1 uM TES C19 H28 O2 C[C@]12CC[....
6 1NC2 - DOE C27 H41 N5 O10 S c1cc(ccc1C....
7 2HVK - TBA C16 H36 N CCCC[N+](C....
8 5DUB - GLY 5GG GLY ALA n/a n/a
9 5MES ic50 = 0.045 uM 7LT C44 H49 Cl2 N5 O4 CN1CCCN[C@....
10 6FS0 Kd = 0.00017 uM E4W C35 H34 Cl N5 O3 S2 Cc1c-2c(nn....
11 5BJZ - MAL C12 H22 O11 C([C@@H]1[....
12 3PGF - GLC GLC n/a n/a
13 1FE8 - NAG C8 H15 N O6 CC(=O)N[C@....
14 3LEV - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1E4X Kd = 25 nM VAL VAL SER HIS PHE ASN ASP n/a n/a
16 4MA7 - P2Z C17 H20 N2 S CN(C)CCCN1....
17 4MA8 - Z80 C17 H19 Cl N2 S CN(C)CCCN1....
18 4DVR - 0LY C17 H24 Br N3 O2 CC1(CC(CC(....
19 4UUJ - XA7 C24 H52 N CCCCCC[N+]....
20 2DWE - TBA C16 H36 N CCCC[N+](C....
21 1MJJ Kd = 1.83 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5CT; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 5CT 1 1
2 DLY 0.52381 0.764706
3 MLZ 0.5 0.717949
4 2YG 0.481481 0.725
5 HRG 0.469388 0.675
6 ALY 0.469388 0.658537
7 0TF 0.462963 0.725
8 DHH 0.444444 0.666667
9 ORN 0.44186 0.735294
10 ONH 0.434783 0.658537
11 CIR 0.416667 0.658537
12 DAB 0.414634 0.714286
13 LYS 0.413043 0.742857
14 SHR 0.410714 0.805556
15 2YJ 0.410714 0.725
16 API 0.404762 0.638889
17 NPI 0.404255 0.666667
18 LBY 0.403509 0.617021
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DRN; Ligand: 5CT; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5drn.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZGS NAD 6.94444
Pocket No.: 2; Query (leader) PDB : 5DRN; Ligand: 5CT; 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: 5drn.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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