Receptor
PDB id Resolution Class Description Source Keywords
3U3L 1.57 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE SELENOMETHIONINE DERIVATIVE OF TABL TABANUS YAO CAP DOMAIN ALPHAVBETA3 INTEGRIN SALIVARY GLAND PROTEIN BI
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:235;
C:236;
 Invalid;
Invalid;
 none;
none;
 submit data
192.124 C6 H8 O7 C(C(=...
PLM C:233;
 Valid;
 none;
 submit data
256.424 C16 H32 O2 CCCCC...
PR C:234;
 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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: PLM; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 PLM 1 1
2 STE 1 1
3 MYR 1 1
4 TDA 1 1
5 F23 1 1
6 DAO 1 1
7 X90 1 1
8 DCR 1 1
9 KNA 1 1
10 11A 1 1
11 EW8 1 1
12 F15 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 NER 0.71875 0.954545
21 OLA 0.71875 0.954545
22 PAM 0.666667 0.954545
23 VCA 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EOD 0.538462 0.7
35 EIC 0.538462 0.913043
36 BMJ 0.5 0.954545
37 BNV 0.5 0.954545
38 D0G 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 56S 0.459459 0.653846
43 HXD 0.459459 0.807692
44 T4T 0.459459 0.8
45 ODT 0.452381 0.782609
46 3X1 0.444444 0.818182
47 LNL 0.44186 0.826087
48 9J6 0.441176 0.666667
49 OOA 0.441176 0.76
50 CUY 0.435897 0.68
51 CNS 0.435897 0.68
52 6UL 0.435897 0.68
53 5UF 0.432432 0.807692
54 243 0.428571 0.807692
55 EKG 0.418605 0.606061
56 GYM 0.418605 0.606061
57 1QW 0.418605 0.606061
58 OC9 0.413793 0.75
59 PL3 0.413793 0.75
60 F09 0.413793 0.75
61 DE1 0.413793 0.75
62 1DO 0.413793 0.75
63 O8N 0.413793 0.75
64 T25 0.403846 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: PLM; Similar ligands found: 6
No: Ligand Similarity coefficient
1 16A 0.9171
2 O4B 0.9104
3 SP5 0.8963
4 EPA 0.8948
5 SSV 0.8891
6 ACA ACA 0.8666
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3U3U; Ligand: EAH; 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: 3u3u.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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