Receptor
PDB id Resolution Class Description Source Keywords
6A9C 1.98 Å NON-ENZYME: MOBILE CRYSTAL STRUCTURE C-TERMINAL SH3 DOMAIN OF MYOSIN IB FROM EN HISTOLYTICA BOUND TO EHFP10(GEF) PEPTIDE. ENTAMOEBA HISTOLYTICA SH3 MYOSINI ENTAMOEBA HISTOLYTICA EHMYSH3 CONTRACTILE PR
Ref.: EHFP10: A FYVE FAMILY GEF INTERACTS WITH MYOSIN IB REGULATE CYTOSKELETAL DYNAMICS DURING ENDOCYTOSIS I ENTAMOEBA HISTOLYTICA. PLOS PATHOG. V. 15 07573 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:101;
B:102;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
LYS VAL ALA PRO PRO ILE PRO HIS ARG E:33;
 Valid;
 Atoms found LESS than expected: % Diff = 0.014;
 submit data
1001.27 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A9C 1.98 Å NON-ENZYME: MOBILE CRYSTAL STRUCTURE C-TERMINAL SH3 DOMAIN OF MYOSIN IB FROM EN HISTOLYTICA BOUND TO EHFP10(GEF) PEPTIDE. ENTAMOEBA HISTOLYTICA SH3 MYOSINI ENTAMOEBA HISTOLYTICA EHMYSH3 CONTRACTILE PR
Ref.: EHFP10: A FYVE FAMILY GEF INTERACTS WITH MYOSIN IB REGULATE CYTOSKELETAL DYNAMICS DURING ENDOCYTOSIS I ENTAMOEBA HISTOLYTICA. PLOS PATHOG. V. 15 07573 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 68 families.
1 6A9C - LYS VAL ALA PRO PRO ILE PRO HIS ARG 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 59 families.
1 6A9C - LYS VAL ALA PRO PRO ILE PRO HIS ARG n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 40 families.
1 6A9C - LYS VAL ALA PRO PRO ILE PRO HIS ARG n/a n/a
2 2J6O Kd ~ 100 uM LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL n/a n/a
3 1CKB Kd = 5.2 uM PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG n/a n/a
4 1CKA Kd = 1.9 uM PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG n/a n/a
5 1FYN - PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO n/a n/a
6 1ABO - ALA PRO THR MET PRO PRO PRO LEU PRO PRO n/a n/a
7 2W0Z - ALA PRO PRO PRO ARG PRO PRO LYS PRO n/a n/a
8 2D0N - PRO SER ILE ASP ARG SER THR LYS PRO n/a n/a
9 1YWO Kd = 12.5 uM GLN PRO PRO VAL PRO PRO GLN ARG PRO MET n/a n/a
10 2AK5 Kd = 14 uM ARG PRO PRO LYS PRO ARG PRO ARG n/a n/a
11 2SEM - ACE PRO PRO PRO VAL IPG PRO ARG ARG n/a n/a
12 3SEM - PRO PRO PRO VAL NMC PRO ARG ARG ARG n/a n/a
13 1SEM Kd = 43 uM ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG n/a n/a
14 4HXJ Kd ~ 74.3 uM ARG GLY THR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LYS VAL ALA PRO PRO ILE PRO HIS ARG; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS VAL ALA PRO PRO ILE PRO HIS ARG 1 1
2 HIS HIS ALA SER PRO ARG LYS 0.573248 0.826087
3 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.532967 0.815789
4 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.531792 0.850746
5 LYS ARG ARG ARG HIS PRO SER 0.516129 0.850746
6 LYS ARG ARG ARG HIS PRO SER GLY 0.512658 0.814286
7 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.505952 0.939394
8 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.485207 0.938462
9 GLU ARG THR ILE PRO ILE THR ARG GLU 0.48366 0.826087
10 ARG PRO PRO LYS PRO ARG PRO ARG 0.483221 0.84127
11 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.477273 0.777778
12 TYR TYR SER ILE ALA PRO HIS SER ILE 0.47619 0.76
13 ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG 0.475524 0.890625
14 SER HIS PRO ARG PRO ILE ARG VAL 0.467066 0.885714
15 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.460123 0.786667
16 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.458333 0.80597
17 TYR TYR SER ILE ILE PRO HIS SER ILE 0.443787 0.736842
18 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.44086 0.802632
19 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.43787 0.830769
20 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.4375 0.848485
21 LYS PRO HIS SER ASP 0.435897 0.732394
22 ARG LEU TYR HIS SEP LEU PRO ALA 0.434066 0.772152
23 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.432099 0.84127
24 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.431953 0.878788
25 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.431373 0.873016
26 TYR PRO LYS ARG ILE ALA 0.431138 0.828571
27 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.430303 0.852941
28 SER ARG ASP HIS SER ARG THR PRO MET 0.428571 0.789474
29 ARG PRO LYS ARG ILE ALA 0.427673 0.876923
30 ACE PRO PRO PRO VAL IPG PRO ARG ARG 0.422078 0.876923
31 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.421348 0.771429
32 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.420455 0.80597
33 HIS VAL GLY PRO ILE ALA 0.419355 0.848485
34 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.419355 0.882353
35 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.418605 0.859155
36 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.418478 0.733333
37 LYS PRO VAL LEU ARG THR ALA 0.418182 0.8
38 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.417143 0.794118
39 PRO PRO LYS ARG ILE ALA 0.414634 0.876923
40 3BY PRO LYS ARG ILE ALA 0.414634 0.867647
41 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.413793 0.736842
42 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.413793 0.924242
43 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.413793 0.869565
44 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.407643 0.904762
45 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.407216 0.859155
46 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.40678 0.833333
47 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.406452 0.833333
48 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.405714 0.909091
49 ALA ARG SER HIS SEP TYR PRO ALA 0.405405 0.7375
50 ARG VAL ALA SER PRO THR SER GLY VAL 0.403614 0.763889
51 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.403226 0.763889
52 ALA ILE LEU HIS ARG LEU LEU GLN 0.402439 0.828125
53 LEU ASP PRO ARG 0.401316 0.820895
54 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.4 0.80303
55 ARG SEP PRO VAL PHE SER 0.4 0.746667
Similar Ligands (3D)
Ligand no: 1; Ligand: LYS VAL ALA PRO PRO ILE PRO HIS ARG; 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 : 6A9C; Ligand: LYS VAL ALA PRO PRO ILE PRO HIS ARG; 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: 6a9c.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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