Receptor
PDB id Resolution Class Description Source Keywords
3U3U 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TABLYSIN-15-LEUKOTRIENE E4 COMPLEX TABANUS YAO CAP DOMAIN BINDING PROTEIN INTEGRIN ALPHAVBETA3 AND LEUKOTPROTEIN BINDING
Ref.: STRUCTURE OF PROTEIN HAVING INHIBITORY DISINTEGRIN LEUKOTRIENE SCAVENGING FUNCTIONS CONTAINED IN SINGL J.BIOL.CHEM. V. 287 10967 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT C:234;
C:235;
Invalid;
Invalid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
EAH C:236;
Valid;
none;
Kd = 133.3 nM
320.466 C20 H32 O3 CCCCC...
PR C:233;
Invalid;
none;
submit data
140.908 Pr [Pr+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3U3U 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TABLYSIN-15-LEUKOTRIENE E4 COMPLEX TABANUS YAO CAP DOMAIN BINDING PROTEIN INTEGRIN ALPHAVBETA3 AND LEUKOTPROTEIN BINDING
Ref.: STRUCTURE OF PROTEIN HAVING INHIBITORY DISINTEGRIN LEUKOTRIENE SCAVENGING FUNCTIONS CONTAINED IN SINGL J.BIOL.CHEM. V. 287 10967 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3U3U Kd = 133.3 nM EAH C20 H32 O3 CCCCCC=C/C....
2 3U3L - PLM C16 H32 O2 CCCCCCCCCC....
3 3U3N - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3U3U Kd = 133.3 nM EAH C20 H32 O3 CCCCCC=C/C....
2 3U3L - PLM C16 H32 O2 CCCCCCCCCC....
3 3U3N - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3U3U Kd = 133.3 nM EAH C20 H32 O3 CCCCCC=C/C....
2 3U3L - PLM C16 H32 O2 CCCCCCCCCC....
3 3U3N - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EAH; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 EAH 1 1
2 DJ3 0.506849 0.78125
3 ACD 0.491525 0.884615
4 EIC 0.47541 0.884615
5 RCL 0.434783 0.961538
6 OCR 0.416667 0.925926
7 1AG 0.408451 0.735294
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3U3U; Ligand: EAH; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 3u3u.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AIG VPR 0.01139 0.40913 None
2 1NF8 BOG 0.0004131 0.50296 1.93237
3 3KFC 61X 0.005541 0.42291 2.14592
4 5XDT ZI7 0.003432 0.42552 2.27273
5 1ZOA 140 0.01948 0.40221 2.57511
6 4B7P 9UN 0.01444 0.41575 2.6087
7 4XB4 45D 0.01459 0.40129 2.63158
8 3B9Z CO2 0.02582 0.41683 3.00429
9 1EM6 CP4 0.02021 0.4339 3.43348
10 2HFP NSI 0.002201 0.42926 3.43348
11 4B1V LAB 0.00842 0.41548 3.43348
12 3FUR Z12 0.02007 0.40894 3.43348
13 4ZVV NAD 0.01811 0.42064 3.86266
14 4ZVV GN0 0.01811 0.42064 3.86266
15 5NTW 98N 0.01322 0.40446 4.29185
16 5APJ 76E 0.01198 0.40391 4.29185
17 5G5W R8C 0.006504 0.41311 4.72103
18 3BQD DAY 0.005937 0.40692 4.72103
19 4P6X HCY 0.01672 0.40096 4.72103
20 3IQE F42 0.01639 0.40019 4.72103
21 5DEY 59T 0.008375 0.43119 6.00858
22 1TV5 N8E 0.009845 0.42125 6.00858
23 2EVL GAL SPH EIC 0.03493 0.40191 6.2201
24 1JL0 PUT 0.005904 0.43072 6.43777
25 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.01538 0.41272 7
26 4IGH 1EA 0.02769 0.41399 7.29614
27 4IGH FMN 0.02769 0.41399 7.29614
28 4IGH ORO 0.02769 0.41399 7.29614
29 3ZGE ASP 0.01132 0.426 7.72532
30 1UBY DMA 0.003383 0.40946 14.5923
31 3PMA SCR 0.02994 0.40317 34.4828
32 3VRV YSD 0.02202 0.40863 38.4615
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