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 WIT 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
1106.22 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 289 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 214 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 181 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 (2D)
Ligand no: 1; Ligand: GLY GLN VAL PRO PHE SER LYS GLU GLU CYS; Similar ligands found: 138
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 1 1
2 LEU PRO PHE GLU LYS SER THR VAL MET 0.62 0.910448
3 ACE GLN GLU ARG GLU VAL PRO CYS 0.616541 0.794118
4 ALA THR PRO PHE GLN GLU 0.604478 0.857143
5 ILE THR ASP GLN VAL PRO PHE SER VAL 0.601351 0.907692
6 ILE MET ASP GLN VAL PRO PHE SER VAL 0.596026 0.895522
7 1IP CYS PHE SER LYS PRO ARG 0.555556 0.869565
8 ACE GLY LYS SER PHE SER LYS PRO ARG 0.534247 0.952381
9 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.530864 0.75
10 LEU PRO PHE ASP LYS SER THR ILE MET 0.527607 0.897059
11 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.525641 0.84375
12 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.525316 0.842857
13 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.52381 0.811594
14 GLY SER ASP PRO PHE LYS 0.521739 0.919355
15 LEU PRO SER PHE GLU THR ALA LEU 0.52 0.921875
16 GLY GLY CYS PHE SER LYS PRO LYS MYR 0.512346 0.923077
17 GLU GLN TYR LYS PHE TYR SER VAL 0.507042 0.705882
18 THR THR ALA PRO PHE LEU SER GLY LYS 0.506329 0.953125
19 GLY ASP CYS PHE SER LYS PRO ARG 0.503145 0.852941
20 LEU PRO PHE ASP LYS THR THR ILE MET 0.493827 0.882353
21 SER SER GLY LYS VAL PRO LEU SER 0.492958 0.920635
22 SER SER GLY LYS VAL PRO LEU 0.492857 0.904762
23 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.490909 0.826087
24 LEU SER SER PRO VAL THR LYS SER PHE 0.490323 0.90625
25 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.487952 0.816901
26 SER PRO ILE VAL PRO SER PHE ASP MET 0.484277 0.897059
27 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.480519 0.921875
28 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.477707 0.828571
29 ACE GLY LYS SER PHE SER LYS PRO ARG MYR 0.47619 0.923077
30 THR LYS ASN TYR LYS GLN PHE SER VAL 0.475862 0.695652
31 LEU PRO PHE GLU ARG ALA THR VAL MET 0.473684 0.808219
32 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.473054 0.785714
33 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.46875 0.654762
34 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.467456 0.826087
35 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.467066 0.855072
36 LYS THR PHE PRO PRO THR GLU PRO LYS 0.465409 0.90625
37 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.463576 0.893939
38 LYS PRO PHE PTR VAL ASN VAL NH2 0.459627 0.736842
39 PHE PRO THR LYS ASP VAL ALA LEU 0.459627 0.921875
40 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.459119 0.810811
41 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.45679 0.757143
42 PRO GLN PTR GLU GLU ILE PRO ILE 0.45625 0.72
43 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.452229 0.895522
44 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.451807 0.785714
45 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.450331 0.90625
46 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.450331 0.875
47 GLU LYS PRO SER SER SER 0.448529 0.887097
48 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.447761 0.83871
49 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.446541 0.893939
50 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.445783 0.852941
51 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.445714 0.739726
52 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.445161 0.909091
53 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.445122 0.842857
54 VAL GLN GLN GLU SER SER PHE VAL MET 0.444444 0.712121
55 LEU PRO PHE GLU ARG ALA THR ILE MET 0.443182 0.797297
56 ACE GLY ASN CYS PHE SER LYS PRO ARG 0.442308 0.90625
57 SER GLU CYS THR THR PRO CYS 0.440559 0.904762
58 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.440476 0.826087
59 ALA CYS SEP PRO GLN PHE GLY 0.43949 0.811594
60 ACE TYR PRO ILE GLN GLU THR 0.43871 0.794118
61 PHE ASN PHE PRO GLN ILE THR 0.43871 0.823529
62 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.438596 0.678571
63 PHE SER HIS PRO GLN ASN THR 0.438272 0.852941
64 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.437126 0.867647
65 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.436709 0.815385
66 GLU ASN GLN LYS GLU TYR PHE PHE 0.43662 0.623188
67 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.436047 0.857143
68 PRO GLN PTR GLU PTR ILE PRO ALA 0.435583 0.701299
69 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.435294 0.871429
70 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.435028 0.842857
71 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.434783 0.774648
72 SER ILE ILE ASN PHE GLU LYS LEU 0.434211 0.738462
73 ACE GLU VAL ASN ALA PRO VAL LPD 0.433566 0.859375
74 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.432749 0.819444
75 ALA ILE PHE GLN SER SER MET THR LYS 0.432258 0.720588
76 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.431694 0.77027
77 ACE GLU VAL ASN PRO ALA VAL LPD 0.431507 0.859375
78 ALA PHE ARG ILE PRO LEU THR ARG 0.430303 0.816901
79 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.430233 0.8
80 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.429448 0.794118
81 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.429348 0.789474
82 GLU ILE ILE ASN PHE GLU LYS LEU 0.427632 0.692308
83 GLU LEU PRO LEU VAL LYS ILE 0.427632 0.8125
84 ACE PHE ASP GLU MET GLU GLU CYS 0.426471 0.636364
85 ACE VAL LYS GLU SER LEU VAL 0.425373 0.698413
86 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.424581 0.766234
87 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.423313 0.820895
88 SER ILE ILE GLY PHE GLU LYS LEU 0.422078 0.75
89 LYS PRO HIS SER ASP 0.42 0.848485
90 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.42 0.859375
91 ARG PRO MET THR PHE LYS GLY ALA LEU 0.41989 0.821918
92 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.41954 0.714286
93 GLU PHE SER PRO 0.419118 0.870968
94 SER PRO LYS ARG ILE ALA 0.418919 0.782609
95 TRP ASP ILE PRO PHE 0.417266 0.8125
96 ACE PRO VAL GLN GLU THR NH2 0.417266 0.859375
97 5JP PRO LYS ARG ILE ALA 0.417219 0.760563
98 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.416667 0.846154
99 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.416667 0.787879
100 LYS PRO SEP GLN GLU LEU 0.416667 0.785714
101 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.416216 0.696203
102 TYR PRO LYS ARG ILE ALA 0.416149 0.716216
103 ACE MET GLN SER SEP PRO LEU NH2 0.415584 0.794521
104 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.414634 0.820895
105 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.414201 0.785714
106 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.414201 0.808219
107 TRP GLU TYR ILE PRO ASN VAL 0.413793 0.767123
108 CYS THR PHE LYS THR LYS THR ASN 0.412587 0.75
109 PRO GLU SEP LEU GLU SER CYS PHE 0.412162 0.671429
110 LEU PRO PHE ASP ARG THR THR ILE MET 0.411429 0.810811
111 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.411111 0.783784
112 ACE GLU VAL ASN PRO 0.410448 0.84127
113 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.410405 0.805556
114 GLU VAL PTR GLU SER PRO 0.409091 0.794521
115 THR ASN GLU TYR LYS VAL 0.408451 0.671642
116 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.408046 0.816901
117 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.407895 0.69697
118 TYR GLN SER LYS LEU 0.407143 0.701493
119 THR PHE LYS LYS THR ASN 0.407143 0.734375
120 THR PRO TYR ASP ILE ASN GLN MET LEU 0.406977 0.805556
121 DPN PRO DAR CYS NH2 0.406897 0.720588
122 ACE GLU VAL ASN PRO PRO VAL LPD 0.406667 0.859375
123 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.406452 0.823529
124 PRO GLN PTR ILE PTR VAL PRO ALA 0.406061 0.714286
125 ACE GLN PM3 GLU GLU ILE PRO 0.405229 0.757143
126 PRO ALA PRO PHE ALA SER ALA 0.405229 0.904762
127 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.405128 0.730769
128 SER THR SEP PRO THR PHE ASN LYS 0.404624 0.816901
129 ACE MET GLU GLU VAL PHE 0.404412 0.606061
130 GLY PHE GLU PRO 0.404412 0.806452
131 ACE GLU VAL ALA PRO PRO VAL LPD 0.40411 0.84127
132 PHE CYS HIS PRO GLN ASN THR NH2 0.403614 0.838235
133 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.403409 0.8
134 TYR PRO PHE PHE NH2 0.402878 0.705882
135 MAA LYS PRO PHE 0.402778 0.793651
136 THR PRO PRO SER PRO PHE 0.401408 0.875
137 ACE CYS HIS PRO GLN ASN THR NH2 0.401274 0.865672
138 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.401235 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY GLN VAL PRO PHE SER LYS GLU GLU CYS; 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 : 1QSC; Ligand: ACE TYR PRO ILE GLN GLU THR; 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: 1qsc.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QSC; Ligand: ACE TYR PRO ILE GLN GLU THR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1qsc.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QSC; Ligand: ACE TYR PRO ILE GLN GLU THR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1qsc.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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