Receptor
PDB id Resolution Class Description Source Keywords
1EE4 2.1 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF YEAST KARYOPHERIN (IMPORTIN) ALPHA IN A COMPLEX WITH A C-MYC NLS PEPTIDE SACCHAROMYCES CEREVISIAE ARM REPEAT TRANSPORT PROTEIN
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF THE SPECIFIC YET VERSATILE RECOGNITION OF DISTINCT NUCLEAR LOCALIZATION SIGNALS BY KARYOPHERIN ALPHA. STRUCTURE FOLD.DES. V. 8 329 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO ALA ALA LYS ARG VAL LYS LEU ASP C:320;
D:323;
E:320;
F:323;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
458.608 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EE4 2.1 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF YEAST KARYOPHERIN (IMPORTIN) ALPHA IN A COMPLEX WITH A C-MYC NLS PEPTIDE SACCHAROMYCES CEREVISIAE ARM REPEAT TRANSPORT PROTEIN
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF THE SPECIFIC YET VERSATILE RECOGNITION OF DISTINCT NUCLEAR LOCALIZATION SIGNALS BY KARYOPHERIN ALPHA. STRUCTURE FOLD.DES. V. 8 329 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1EE4 - PRO ALA ALA LYS ARG VAL LYS LEU ASP 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 197 families.
1 1EE4 - PRO ALA ALA LYS ARG VAL LYS LEU ASP n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4RXH Kd = 1.23 uM PRO PRO LYS LYS LYS ARG LYS VAL n/a n/a
2 1EE4 - PRO ALA ALA LYS ARG VAL LYS LEU ASP n/a n/a
3 4U54 Kd = 8.7 mM 3C5 C13 H14 N2 CNCc1cccc(....
4 4U5U Kd = 1.3 mM 3D2 C18 H24 N4 O c1cc(cc(c1....
5 4U5V Kd = 0.9 mM RH2 C16 H22 N4 O S c1cc(cnc1)....
6 4U5N Kd = 3.3 mM 3D4 C33 H45 N7 O5 C[C@H]([C@....
7 4U5O Kd = 3.8 mM 3D5 C18 H24 N4 O c1cc(cnc1)....
8 1Y2A Kd ~ 45.8 nM GLY LYS ILE SER LYS HIS TRP THR GLY ILE n/a n/a
9 4U5S Kd = 3.9 mM 3D0 C30 H45 N7 O6 C[C@@H]([C....
10 6D7M - SIN C4 H6 O4 C(CC(=O)O)....
11 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO ALA ALA LYS ARG VAL LYS LEU ASP; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO ALA ALA LYS ARG VAL LYS LEU ASP 1 1
2 LYS LYS ARG LEU SER VAL GLU 0.586957 0.86
3 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.571429 0.909091
4 ACE LYS ARG ARG LYS SEP VAL 0.53125 0.767857
5 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.530435 0.741379
6 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.508333 0.704918
7 PHE ALN ARG ARG ARG ARG SLL ARG 00S 0.505376 0.816327
8 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.504202 0.728814
9 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.5 0.886364
10 ARG ARG ARG ARG ARG ARG ARG ARG 0.5 0.886364
11 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.5 0.8
12 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.488889 0.836735
13 ALA ARG THR LYS GLN THR ALA ARG 0.484536 0.84
14 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.480392 0.87234
15 ACE ALA ARG THR LYS GLN 0.479167 0.857143
16 ALA ARG THR ALY GLN THR ALA 0.475248 0.792453
17 ACE ARG LYS VAL ARG MET 5XU 0.47191 0.854167
18 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.460784 0.704918
19 LYS ALA ALA ARG M3L SER ALA 0.45283 0.716667
20 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.452632 0.777778
21 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.451923 0.728814
22 THR ALA ARG M3L SER THR 0.450549 0.741379
23 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.449153 0.811321
24 ARG ASP ARG ALA ALA LYS LEU 0.447917 0.934783
25 ARG VAL 0.447368 0.888889
26 ALA ALA LEU THR ARG ALA 0.444444 0.82
27 ARG ILE ALA ALA ALA 0.440476 0.866667
28 ALA ARG 9AT 0.439024 0.816327
29 ALA ARG TPO LYS 0.438776 0.75
30 ALA ARG THR LYS GLN THR ALA ARG LYS 0.431193 0.823529
31 ARG ARG ARG VAL ARG 00S 0.43 0.857143
32 LYS ARG ARG LYS SEP VAL 0.43 0.767857
33 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.428571 0.784314
34 LYS ARG LYS 0.425287 0.888889
35 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.423423 0.826923
36 ALA ILE ARG SER 0.414894 0.816327
37 ARG ASP ALA ALA 0.409091 0.829787
38 ALA LYS ALA ILE ALA 0.408602 0.777778
39 VAL ARG MET 0.406593 0.833333
40 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.4 0.811321
41 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.4 0.741379
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO ALA ALA LYS ARG VAL LYS LEU ASP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EE4; Ligand: PRO ALA ALA LYS ARG VAL LYS LEU ASP; 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: 1ee4.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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