Receptor
PDB id Resolution Class Description Source Keywords
6HIP 1.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF SPF45 UHM BOUND TO HIV-1 REV ULM HOMO SAPIENS SPLICING FACTOR VIRAL PROTEIN SPLICING
Ref.: MODULATION OF HIV-1 GENE EXPRESSION BY BINDING OF A MOTIF IN THE REV PROTEIN TO UHM-CONTAINING SPLICING NUCLEIC ACIDS RES. V. 47 4859 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP B:501;
 Invalid;
 none;
 submit data
204.225 C11 H12 N2 O2 c1ccc...
NA C:101;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
ARG ARG ARG ARG TRP ARG GLU ARG GLN C:41;
 Valid;
 Atoms found MORE than expected: % Diff = 1.061;
 submit data
1331.61 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PEH 2.11 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE UHM DOMAIN OF HUMAN SPF45 IN COMPLE SF3B155-ULM5 HOMO SAPIENS RRM UHM PROTEIN BINDING
Ref.: U2AF-HOMOLOGY MOTIF INTERACTIONS ARE REQUIRED FOR ALTERNATIVE SPLICING REGULATION BY SPF45. NAT.STRUCT.MOL.BIOL. V. 14 620 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 6HIP - ARG ARG ARG ARG TRP ARG GLU ARG GLN n/a n/a
2 2PEH Kd = 1.1 uM LYS ARG LYS SER ARG TRP ASP GLU THR PRO n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 6HIP - ARG ARG ARG ARG TRP ARG GLU ARG GLN n/a n/a
2 2PEH Kd = 1.1 uM LYS ARG LYS SER ARG TRP ASP GLU THR PRO n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 6HIP - ARG ARG ARG ARG TRP ARG GLU ARG GLN n/a n/a
2 2PEH Kd = 1.1 uM LYS ARG LYS SER ARG TRP ASP GLU THR PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG ARG ARG ARG TRP ARG GLU ARG GLN; Similar ligands found: 108
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ARG ARG ARG TRP ARG GLU ARG GLN 1 1
2 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.65 0.9
3 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.639344 0.857143
4 ARG LEU TRP SER 0.622807 0.852459
5 ALA TRP LEU PHE GLU ALA 0.610169 0.728814
6 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.609375 0.885246
7 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.601695 0.870968
8 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.590909 0.870968
9 ALA ALA TRP LEU PHE GLU ALA 0.580645 0.728814
10 ASP ALA GLU PHE ARG HIS ASP 0.563025 0.789474
11 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.557047 0.768116
12 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.541096 0.808824
13 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.538462 0.785714
14 ACE GLU TRP TRP TRP 0.527778 0.754386
15 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.525926 0.859375
16 SER ARG TYR TRP ALA ILE ARG THR ARG 0.520548 0.80597
17 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.517241 0.846154
18 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.517241 0.830769
19 ASP TRP GLU ILE VAL 0.516393 0.716667
20 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.516393 0.737705
21 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.509677 0.797101
22 TRP GLU GLU LEU 0.508929 0.758621
23 GLU LEU GLU LYS TRP ALA SER 0.507576 0.774194
24 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.5 0.691176
25 ACE TRP ARG VAL PRO 0.496183 0.80303
26 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.493421 0.84375
27 PRO ALA TRP LEU PHE GLU ALA 0.492857 0.786885
28 GLU GLN ASP LYS TRP ALA SER 0.492647 0.816667
29 PRO SER ARG TRP 0.492063 0.83871
30 LYS TRP LYS 0.491071 0.821429
31 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.490066 0.794118
32 GLU ALA ASP LYS TRP GLN SER 0.485294 0.816667
33 ALA PRO ALA TRP LEU PHE GLU ALA 0.482993 0.691176
34 GLU LEU ASP NRG TRP ALA SER 0.482759 0.75
35 MET TRP ARG PRO TRP 0.482517 0.73913
36 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.481481 0.797101
37 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.476471 0.782609
38 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.475309 0.830769
39 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.475 0.794118
40 GLU LEU ASP LYS TRP ALA GLY 0.474074 0.770492
41 01W ARG TRP THR DAB MET LEU GLY 0.471338 0.638554
42 TYR TRP ALA ALA ALA ALA 0.471074 0.655738
43 ILE ASP TRP PHE GLU GLY LYS GLU 0.468966 0.774194
44 ASP ALA GLU PHE ARG HIS ASP SER 0.467153 0.929825
45 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.466667 0.833333
46 GLU ASN ASP LYS TRP ALA SER 0.463768 0.774194
47 ARG ASP ALA ALA 0.461538 0.75
48 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.461538 0.8
49 GLU LEU ASP LYS TRP ALA ASN 0.460432 0.774194
50 ILE ASP TRP PHE ASP GLY LYS GLU 0.458904 0.774194
51 ACE ASN TRP GLU THR PHE 0.458647 0.6875
52 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.458333 0.75
53 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.457516 0.705882
54 ALA SER ASN GLU ASN TRP GLU THR MET 0.456522 0.691176
55 GLU LEU ASP ORN TRP ALA SER 0.456522 0.774194
56 SER LEU ARG PHE LEU TYR GLU GLY 0.455882 0.691176
57 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.455128 0.716418
58 TYR GLU TRP 0.453782 0.7
59 ARG GLU ALA ALA 0.453704 0.75
60 GLU LEU ASP LYS TRP ALA SER 0.453237 0.761905
61 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.451613 0.818182
62 ASP TRP ASN 0.451327 0.724138
63 ALA LEU ASP LYS TRP ASP 0.449612 0.8
64 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.448276 0.676923
65 ARG ARG GLU VAL HIS THR TYR TYR 0.445205 0.818182
66 VAL GLY LEU TRP LYS SER 0.434109 0.725806
67 ASP GLU ASP LYS TRP ASP ASP PHE 0.431818 0.810345
68 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.431034 0.733333
69 ASP ASN TRP GLN ASN GLY THR SER 0.429577 0.746032
70 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.426829 0.80597
71 SER SER ARG LYS GLU TYR TYR ALA 0.426357 0.774194
72 ARG ARG ARG VAL ARG 00S 0.425 0.745763
73 ILE ASP TRP PHE ASP GLY LYS ASP 0.424658 0.774194
74 ARG PHE PRO LEU THR PHE GLY TRP 0.424242 0.75
75 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.423611 0.75
76 ARG TYR PRO LEU THR PHE GLY TRP 0.423529 0.72973
77 GLU THR VAL ARG PHE GLN SER ASP 0.422535 0.714286
78 GLU ASP ASN ASP TRP ASN 0.421053 0.724138
79 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.42069 0.753846
80 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.418994 0.733333
81 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.418605 0.698413
82 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.417647 0.808824
83 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.417323 0.66129
84 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.417219 0.765625
85 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.417219 0.691176
86 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.417143 0.753425
87 ARG ARG ALA ALA 0.416667 0.75
88 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.416667 0.72
89 GLU LEU ASP HOX TRP ALA SER 0.416667 0.707692
90 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.415493 0.741935
91 MET ASP TRP ASN MET HIS ALA ALA 0.414966 0.75
92 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.414474 0.727273
93 GLU LEU ASP HIS TRP ALA SER 0.413793 0.761905
94 PHE ARG TYR LEU GLY 0.412214 0.734375
95 FME ASP VAL GLU ALA TRP LEU 0.412162 0.698413
96 GLN GLU GLU TRP SEP THR VAL MET 0.412162 0.626667
97 ALA LEU ASP LYS TRP ALA SER 0.410072 0.761905
98 MET ASN TRP ASN ILE 0.409836 0.704918
99 ALA LEU ASP LYS TRP GLN ASN 0.409091 0.783333
100 PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP 0.408537 0.794118
101 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.407821 0.72973
102 ASP SER TRP LYS ASP GLY CYS TYR 0.405229 0.701493
103 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.402878 0.734375
104 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.402597 0.727273
105 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.401361 0.774194
106 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.401274 0.705882
107 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.401274 0.776119
108 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.4 0.733333
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG ARG ARG ARG TRP ARG GLU ARG GLN; 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 : 2PEH; Ligand: LYS ARG LYS SER ARG TRP ASP GLU THR PRO; 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: 2peh.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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