Receptor
PDB id Resolution Class Description Source Keywords
4RXH 1.76 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF IMPORTIN-ALPHA FROM NEUROSPORA CRASSA C WITH SV40NLS NEUROSPORA CRASSA ARM REPEAT NLS NUCLEAR IMPORT IMPORTIN-ALPHA TRANSPORT P
Ref.: STRUCTURE OF IMPORTIN-ALPHA FROM A FILAMENTOUS FUNG COMPLEX WITH A CLASSICAL NUCLEAR LOCALIZATION SIGNA PLOS ONE V. 10 28687 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO LYS LYS LYS ARG LYS VAL C:125;
A:128;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.014;
Atoms found LESS than expected: % Diff = 0.348;
 Kd = 1.23 uM
970.32 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RXH 1.76 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF IMPORTIN-ALPHA FROM NEUROSPORA CRASSA C WITH SV40NLS NEUROSPORA CRASSA ARM REPEAT NLS NUCLEAR IMPORT IMPORTIN-ALPHA TRANSPORT P
Ref.: STRUCTURE OF IMPORTIN-ALPHA FROM A FILAMENTOUS FUNG COMPLEX WITH A CLASSICAL NUCLEAR LOCALIZATION SIGNA PLOS ONE V. 10 28687 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4RXH Kd = 1.23 uM PRO PRO LYS LYS LYS ARG LYS VAL 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 6 families.
1 4RXH Kd = 1.23 uM PRO PRO LYS LYS LYS ARG LYS VAL 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 PRO LYS LYS LYS ARG LYS VAL; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO LYS LYS LYS ARG LYS VAL 1 1
2 PRO PRO LYS ARG ILE ALA 0.725664 0.916667
3 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.605263 0.965517
4 LEU PRO PRO GLU GLU ARG LEU ILE 0.590164 0.918033
5 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.586207 0.982456
6 SER PRO LYS ARG ILE ALA 0.559322 0.857143
7 5JP PRO LYS ARG ILE ALA 0.540984 0.830769
8 ARG PRO LYS PRO LEU VAL ASP PRO 0.537815 0.965517
9 3BY PRO LYS ARG ILE ALA 0.535433 0.846154
10 PRO PRO LEU ALA SER LYS 0.512397 0.78125
11 ARG PRO LYS ARG ILE ALA 0.507937 0.885246
12 PRO PRO GLY PRO ARG GLY PRO PRO GLY 0.496063 0.883333
13 PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG 0.488372 0.862069
14 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.470149 0.790323
15 THR PRO ARG ARG SER MLZ SER ALA 0.468254 0.782609
16 TYR PRO LYS ARG ILE ALA 0.463768 0.833333
17 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.462069 0.785714
18 LYS PRO VAL LEU ARG THR ALA 0.459259 0.859375
19 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.456 0.913793
20 LYS LYS ARG LEU SER VAL GLU 0.452991 0.68254
21 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.447154 0.820895
22 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.443038 0.823529
23 ARG PRO PRO LYS PRO ARG PRO ARG 0.4375 0.912281
24 ALA MET ARG VAL 0.435185 0.672131
25 PRO SER ARG VAL 0.433628 0.761905
26 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.432624 0.888889
27 PRO SER ILE ASP ARG SER THR LYS PRO 0.432432 0.808824
28 THR LYS PRO ARG 0.429825 0.87931
29 LYS ARG ARG ARG HIS PRO SER 0.42446 0.828125
30 LYS ARG ARG ARG HIS PRO SER GLY 0.422535 0.791045
31 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.414414 0.844828
32 PRO PRO PRO MET ALA GLY GLY 0.407692 0.742424
33 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.405594 0.763889
34 GLY ARG LEU LEU PRO 0.404959 0.931035
35 GLY MET PRO ARG GLY ALA 0.40458 0.857143
36 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.404255 0.918033
37 DPN PRO DAR CYS NH2 0.401575 0.85
38 SER SER TYR ARG ARG PRO VAL GLY ILE 0.401316 0.788732
39 HIS HIS ALA SER PRO ARG LYS 0.4 0.830769
40 ACE GLN GLU ARG GLU VAL PRO CYS 0.4 0.901639
41 GLY PRO ARG PRO 0.4 0.896552
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO PRO LYS LYS LYS ARG LYS VAL; 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 : 4RXH; Ligand: PRO PRO LYS LYS LYS ARG LYS VAL; 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: 4rxh.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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