Receptor
PDB id Resolution Class Description Source Keywords
1CA9 2.3 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WITH A PEPTIDE FROM TNF-R2 HOMO SAPIENS TNF SIGNALING TRAF ADAPTER PROTEIN CELL SURVIVAL
Ref.: STRUCTURAL BASIS FOR SELF-ASSOCIATION AND RECEPTOR RECOGNITION OF HUMAN TRAF2. NATURE V. 398 533 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY GLN VAL PRO PHE SER LYS GLU GLU CYS G:422;
H:419;
Valid;
Valid;
none;
none;
submit data
837.929 n/a SCC(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QSC 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE TRAF DOMAIN OF TRAF2 IN A COMPLEX WITH A PEPTIDE FROM THE CD40 RECEPTOR HOMO SAPIENS TNF SIGNALING TRAF CD40 RECEPTOR ADAPTER PROTEIN CELL SURVIVAL COILED COIL SIGNALING PROTEIN
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF CD40 RECOGNITION AND SIGNALING BY HUMAN TRAF2. PROC.NATL.ACAD.SCI.USA V. 96 8408 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1QSC Kd = 210 uM ACE TYR PRO ILE GLN GLU THR n/a n/a
2 1CA9 - GLY GLN VAL PRO PHE SER LYS GLU GLU CYS n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1QSC Kd = 210 uM ACE TYR PRO ILE GLN GLU THR n/a n/a
2 1CA9 - GLY GLN VAL PRO PHE SER LYS GLU GLU CYS n/a n/a
3 1CZY - ACE PRO GLN GLN ALA THR ASP ASP n/a n/a
4 1D01 - ACE MET LEU SER VAL GLU GLU GLU GLY n/a n/a
5 1D00 - ACE PRO VAL GLN GLU THR NH2 n/a n/a
6 1D0J - ACE GLY ALA ALA GLN GLU GLU n/a n/a
7 1D0A - ACE PRO ILE GLN GLU GLU n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1QSC Kd = 210 uM ACE TYR PRO ILE GLN GLU THR n/a n/a
2 1CA9 - GLY GLN VAL PRO PHE SER LYS GLU GLU CYS n/a n/a
3 1CZY - ACE PRO GLN GLN ALA THR ASP ASP n/a n/a
4 1D01 - ACE MET LEU SER VAL GLU GLU GLU GLY n/a n/a
5 1D00 - ACE PRO VAL GLN GLU THR NH2 n/a n/a
6 1D0J - ACE GLY ALA ALA GLN GLU GLU n/a n/a
7 1D0A - ACE PRO ILE GLN GLU GLU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY GLN VAL PRO PHE SER LYS GLU GLU CYS; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 1 1
2 PRO SER M3L PHE NLW 0.571429 0.738462
3 PRO LEU SER LYS 0.534653 0.836364
4 THR PRO ASP TYR PHE LEU 0.495652 0.721311
5 PRO LEU GLU PSA ARG LEU 0.492424 0.761905
6 LEU PRO PHE GLU LYS SER THR VAL MET 0.48951 0.784615
7 THR TYR LYS PHE PHE GLU GLN 0.487179 0.711864
8 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.487179 0.711864
9 GLU GLN TYR LYS PHE TYR SER VAL 0.483607 0.721311
10 PRO GLN PHE SER LEU TRP LYS ARG 0.477941 0.786885
11 PRO GLU SEP LEU GLU SER CYS PHE 0.471545 0.666667
12 GLU ASN GLN LYS GLU TYR PHE PHE 0.470588 0.677966
13 PHE LEU GLU LYS 0.46789 0.672727
14 SER ILE ILE ASN PHE GLU LYS LEU 0.464567 0.758621
15 PRO ALA TRP LEU PHE GLU ALA 0.463768 0.716667
16 PRO THR SER SER GLU GLN ILE 0.461538 0.824561
17 SER ILE ILE GLY PHE GLU LYS LEU 0.457364 0.785714
18 ALA LYS GLU LYS SER ASP 0.456311 0.823529
19 PHE LEU SER TYR LYS 0.445378 0.688525
20 THR LYS ASN TYR LYS GLN PHE SER VAL 0.444444 0.709677
21 VAL GLN GLN GLU SER SER PHE VAL MET 0.443548 0.728814
22 PRO THR GLU PUK ARG GLU 0.442857 0.774194
23 THR LYS CYS VAL PHE MET 0.439024 0.728814
24 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.431818 0.736842
25 GLU ILE ILE ASN PHE GLU LYS LEU 0.430769 0.689655
26 DHI PRO PHE HIS PUK VAL TYR 0.42963 0.666667
27 THR PHE LYS LYS THR ASN 0.42735 0.767857
28 CYS THR PHE LYS THR LYS THR ASN 0.425 0.803571
29 PRO ALA PRO PHE ALA SER ALA 0.424242 0.770492
30 ALA ILE PHE GLN SER SER MET THR LYS 0.422222 0.766667
31 CYS THR GLU LEU LYS LEU SER ASP TYR 0.422222 0.762712
32 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.421875 0.745763
33 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.421053 0.793103
34 GLY ASN PHE LEU GLN SER ARG 0.419847 0.698413
35 GLY SER ASP PRO PHE LYS 0.417323 0.877193
36 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.417266 0.617647
37 ASP PHE GLU GLU ILE 0.415929 0.636364
38 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.415094 0.753846
39 PRO HIS LEU SER PHE MET ALA HIS 0.414966 0.777778
40 ALA GLN PHE SER ALA SER ALA SER ARG 0.414634 0.716667
41 LEU SER SER PRO VAL THR LYS SER PHE 0.414286 0.790323
42 PRO THR VAL GLU GLU VAL ASP 0.413793 0.818182
43 TYR GLN SER LYS LEU 0.411765 0.716667
44 LYS ALC LYS 0.411765 0.72549
45 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.411765 0.704918
46 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.410448 0.8
47 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.410072 0.688525
48 SER SER ILE GLU PHE ALA ARG LEU 0.405797 0.68254
49 LEU PRO PHE ASP LYS SER THR ILE MET 0.403846 0.772727
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QSC; Ligand: ACE TYR PRO ILE GLN GLU THR; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 1qsc.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ED4 FAD 0.006973 0.42024 1.34228
2 1U7T NAD 0.01848 0.40036 2.09424
3 1NFQ NAI 0.02276 0.40089 2.6178
4 1PR9 NAP 0.02252 0.40221 3.14136
5 1R2Q GNP 0.01379 0.41244 3.52941
6 2Q2V NAD 0.02087 0.4038 3.66492
7 3SUD SUE 0.009528 0.40805 5.75916
8 3P8N L4T 0.01263 0.4024 5.91398
9 1H8P PC 0.009899 0.42671 6.42202
10 3LJU IP9 0.03852 0.4038 7.32984
11 2GDZ NAD 0.019 0.40229 7.8534
12 1J78 OLA 0.01912 0.40923 11.5183
13 3IVV ASP GLU VAL THR SER THR THR SER SER SER 0.000378 0.48847 20
14 3KEE 30B 0.005389 0.41423 34.7826
Pocket No.: 2; Query (leader) PDB : 1QSC; Ligand: ACE TYR PRO ILE GLN GLU THR; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 1qsc.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YQS BSA 0.02402 0.40412 1.04712
2 1KUV CA5 0.02053 0.40521 2.6178
3 2DTX BMA 0.03683 0.40078 2.6178
4 3D3W NAP 0.02476 0.40347 3.14136
5 1EDO NAP 0.02462 0.40249 3.66492
6 4CQM NAP 0.01742 0.40748 4.18848
7 4KQR VPP 0.01028 0.40335 6.28272
8 3AFN NAP 0.02846 0.40049 6.80628
9 5G5G MCN 0.01941 0.41185 8.90052
10 3OID NDP 0.02582 0.40258 9.94764
Pocket No.: 3; Query (leader) PDB : 1QSC; Ligand: ACE TYR PRO ILE GLN GLU THR; Similar sites found: 1
This union binding pocket(no: 3) in the query (biounit: 1qsc.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P7G MAN 0.02043 0.4028 10.9589
Feedback