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Receptor
PDB id Resolution Class Description Source Keywords
5DUB 2 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU98 IN COMPL DEOXYHYPUSINE ORYCTOLAGUS CUNICULUS DEOXYHYPUSINE ANTIBODY FABHPU98 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
EDO B:302;
A:301;
B:306;
B:305;
H:302;
H:301;
A:304;
A:303;
A:302;
H:304;
B:301;
H:303;
B:303;
B:304;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 H:306;
A:308;
L:302;
H:307;
P:101;
B:308;
A:305;
A:309;
A:306;
H:305;
L:301;
A:307;
B:307;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GLY 5GG GLY ALA P:3;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
389.521 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DUB 2 Å NON-ENZYME: OTHER CONTEXT-INDEPENDENT ANTI-HYPUSINE ANTIBODY FABHPU98 IN COMPL DEOXYHYPUSINE ORYCTOLAGUS CUNICULUS DEOXYHYPUSINE ANTIBODY FABHPU98 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 5DUB - GLY 5GG GLY ALA n/a n/a
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 5DUB - GLY 5GG GLY ALA n/a n/a
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: GLY 5GG GLY ALA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 5GG GLY ALA 1 1
2 GLY 5CT GLY ALA 0.742857 0.863636
3 GLY 5CT GLY SER GLY 0.52381 0.782609
4 GLY LEU GLY ALY GLY GLY ALA ALY ALA 0.428571 0.883721
5 GLY GLY ALY ALA PRO ARG LYS GLN 0.425 0.902439
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DUB; Ligand: GLY 5GG GLY ALA; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 5dub.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3WV6 GAL BGC 2.33645
2 3WV6 GAL GLC 2.33645
3 3NV3 GAL NAG MAN 2.89855
4 1UH4 GLC 3.6036
5 1IS3 LAT 3.7037
6 3M3E GAL A2G NPO 4.34783
7 1WW5 SGA BGC 6.25
8 3WUD GLC GAL 6.61765
9 1A78 TDG 7.46269
10 2YMZ LAT 7.69231
11 1SLT NDG GAL 8.95522
12 5NFB 8VT 11.3636
13 5H9Q TD2 12.2581
14 1W6O LAT 20.1493
15 1W6P NDG GAL 20.1493
16 1GZW GAL BGC 20.1493
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