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Receptor
PDB id Resolution Class Description Source Keywords
5YGF 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER PAPI EXTENDED T DOMAIN (D287A) IN COMPLEX WITH PIWI N-TERMINAL R10-UNME PEP DROSOPHILA MELANOGASTER PIRNA COMPLEX EXTENDED TUDOR DOMAIN PROTEIN BINDING
Ref.: STRUCTURAL INSIGHTS INTO THE SEQUENCE-SPECIFIC RECO OF PIWI BYDROSOPHILAPAPI PROC. NATL. ACAD. SCI. V. 115 3374 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP GLN GLY ARG GLY ARG ARG ARG PRO D:4;
Valid;
Atoms found LESS than expected: % Diff = 0.013;
Kd = 0.57 uM
1085.24 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YGF 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER PAPI EXTENDED T DOMAIN (D287A) IN COMPLEX WITH PIWI N-TERMINAL R10-UNME PEP DROSOPHILA MELANOGASTER PIRNA COMPLEX EXTENDED TUDOR DOMAIN PROTEIN BINDING
Ref.: STRUCTURAL INSIGHTS INTO THE SEQUENCE-SPECIFIC RECO OF PIWI BYDROSOPHILAPAPI PROC. NATL. ACAD. SCI. V. 115 3374 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5YGF Kd = 0.57 uM ASP GLN GLY ARG GLY ARG ARG ARG PRO 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 5YGF Kd = 0.57 uM ASP GLN GLY ARG GLY ARG ARG ARG PRO n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5YGF Kd = 0.57 uM ASP GLN GLY ARG GLY ARG ARG ARG PRO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP GLN GLY ARG GLY ARG ARG ARG PRO; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP GLN GLY ARG GLY ARG ARG ARG PRO 1 1
2 ASP LEU THR ARG PRO 0.568965 0.861538
3 ARG GLU ARG SER PRO THR ARG 0.553571 0.918033
4 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.496183 0.84375
5 ALA PRO ASP THR ARG PRO ALA PRO 0.492188 0.876923
6 GLY HIS ARG PRO NH2 0.491667 0.868852
7 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.480519 0.8
8 VAL MET LEU PRO GLY ARG GLY VAL PRO 0.479167 0.818182
9 ALA PRO ASP THR ARG PRO 0.472441 0.876923
10 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.471545 0.75
11 GLY PRO ARG PRO 0.455357 0.913793
12 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.44 0.863636
13 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.435897 0.826087
14 SER ASP TYR GLN ARG LEU 0.425197 0.632353
15 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.419118 0.84375
16 ARG ARG ALA SEP ALA PRO LEU PRO 0.416667 0.774648
17 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.414013 0.814286
18 GLY ARG GLY ASP SER PRO 0.410256 0.716667
19 GLU ARG GLY SER GLY ARG 0.408333 0.737705
20 GLU ARG GLY MET THR 0.406504 0.626866
21 ALA PRO ASP SER ARG PRO A2G 0.405229 0.780822
22 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.40458 0.866667
23 GLY MET PRO ARG GLY ALA 0.402985 0.846154
24 ALA PRO ASP CYS ARG PRO A2G 0.402597 0.76
25 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.401361 0.848485
26 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.4 0.890625
27 ARG ARG GLY ILE NH2 0.4 0.672131
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5YGF; Ligand: ASP GLN GLY ARG GLY ARG ARG ARG PRO; Similar sites found with APoc: 38
This union binding pocket(no: 1) in the query (biounit: 5ygf.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z0N BCD None
2 2BOS GLA GAL GLC None
3 6BJO DUY None
4 2BOS GLA GAL None
5 6GNO XDI None
6 1RZX ACE VAL LYS GLU SER LEU VAL None
7 2BOS GLA GAL GLC NBU None
8 1SW1 PBE 1.34529
9 6ACS CIT 2.24215
10 3KL3 GCU 2.69058
11 3E7S AT2 3.13901
12 4M1U A2G MBG 3.13901
13 3ZJX BOG 3.13901
14 1QHO MAL 3.13901
15 1PVC ILE SER GLU VAL 3.58744
16 6D50 GCB 3.58744
17 5KJW 53C 3.58744
18 5L2R MLA 4.03587
19 2ILZ GTP 4.03587
20 6DW2 HD4 4.03587
21 5XLS URA 4.4843
22 1RJW ETF 5.38117
23 3VCA PRO 5.38117
24 4IJ6 SEP 5.6872
25 1F9V ADP 5.8296
26 3I7V B4P 5.97015
27 5FWJ MMK 6.27803
28 4YEE 4CQ 6.66667
29 2WD7 VGD 6.72646
30 4MPO AMP 7.18954
31 1MJT ITU 8.07175
32 2Z3U CRR 8.52018
33 3PPQ CHT 8.68167
34 3NZ1 3NY 10.3139
35 3HQP OXL 12.1076
36 1TE2 PGA 12.1076
37 1NX0 ALA LYS ALA ILE ALA 21.3873
38 3KP6 SAL 23.8411
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