Receptor
PDB id Resolution Class Description Source Keywords
5HA0 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE LTBP1 LEUKOTRIENE D4 COMPLEX RHODNIUS PROLIXUS LIPOCALIN LEUKOTRIENE RHODNIUS SALIVARY TRANSPORT PROTEI
Ref.: STRUCTURE AND LIGAND-BINDING MECHANISM OF A CYSTEIN LEUKOTRIENE-BINDING PROTEIN FROM A BLOOD-FEEDING DI VECTOR. ACS CHEM.BIOL. V. 11 1934 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LTD A:201;
Valid;
none;
Kd < 1 nM
496.66 C25 H40 N2 O6 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HA0 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE LTBP1 LEUKOTRIENE D4 COMPLEX RHODNIUS PROLIXUS LIPOCALIN LEUKOTRIENE RHODNIUS SALIVARY TRANSPORT PROTEI
Ref.: STRUCTURE AND LIGAND-BINDING MECHANISM OF A CYSTEIN LEUKOTRIENE-BINDING PROTEIN FROM A BLOOD-FEEDING DI VECTOR. ACS CHEM.BIOL. V. 11 1934 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LTD; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LTD 1 1
2 LTX 0.714286 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HA0; Ligand: LTD; Similar sites found: 93
This union binding pocket(no: 1) in the query (biounit: 5ha0.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WVW SLT 0.0008755 0.47463 None
2 4QPW XYP XYP XYP 0.001222 0.44337 None
3 1OF4 BMA BMA BMA BMA BMA 0.01611 0.42074 None
4 3E2M E2M 0.003193 0.40889 None
5 3GC0 AMP 0.01629 0.40728 None
6 2GJ5 VD3 0.001107 0.43824 1.28205
7 4KYK IMN 0.01598 0.41155 1.28205
8 1KTG AMP 0.03113 0.4039 1.44928
9 1N5S ADL 0.01177 0.40681 1.78571
10 1DZK PRZ 0.0101 0.40989 1.92308
11 5ML3 DL3 0.001596 0.43168 2.01342
12 2YMZ LAT 0.001207 0.43018 2.30769
13 5F2T PLM 0.001812 0.44453 2.5641
14 1G0C CBI 0.01188 0.41389 2.5641
15 1Y0G 8PP 0.006709 0.41097 2.5641
16 3T50 FMN 0.004291 0.41968 3.125
17 4CPH LH4 0.0155 0.40469 3.14961
18 4AZT LY2 0.02088 0.40574 3.20513
19 2AG4 OLA 0.02235 0.40148 3.20513
20 2AG4 LP3 0.02235 0.40148 3.20513
21 4PSB GA3 0.007575 0.40031 3.22581
22 2NNQ T4B 0.002446 0.42515 3.81679
23 3PUR 2HG 0.01388 0.42527 3.84615
24 1AD4 HH2 0.01201 0.40997 3.84615
25 4ZS4 ATP 0.01128 0.401 3.84615
26 2GC0 PAN 0.0139 0.40011 3.84615
27 1WBI BTN 0.01198 0.41003 3.87597
28 5OO5 UUA 0.0007082 0.40172 4.03226
29 2ZHL NAG GAL GAL NAG 0.002929 0.44353 4.05405
30 2Z5Y HRM 0.004888 0.44196 4.48718
31 5AVF TAU 0.01505 0.417 4.48718
32 1TT8 PHB 0.004186 0.40132 4.48718
33 5D48 L96 0.001629 0.41753 4.60526
34 5AIG VPR 0.01007 0.42156 4.8
35 5EW9 5VC 0.02783 0.4127 5.12821
36 5T7I LAT NAG GAL 0.0006111 0.49668 5.16129
37 1LNM DTX 0.002316 0.42786 5.76923
38 4QM9 CYS 0.01524 0.4181 5.76923
39 4W9N TCL 0.02723 0.40938 5.76923
40 4BXF AKG 0.02864 0.40727 5.76923
41 1M15 ARG 0.006846 0.40211 5.76923
42 1M15 ADP 0.006846 0.40211 5.76923
43 4FFG 0U8 0.0006965 0.46237 6.41026
44 4XBT 3ZQ 0.007005 0.41366 6.41026
45 4XBT FLC 0.007697 0.4118 6.41026
46 3B00 16A 0.01717 0.41 6.41026
47 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.003609 0.40675 6.41026
48 4OPC FDA 0.04305 0.40335 6.41026
49 1BHX ASP PHE GLU GLU ILE 0.005478 0.43474 6.66667
50 1DZT ATY 0.02744 0.41131 7.05128
51 1DZT TPE 0.03661 0.40489 7.05128
52 1OJJ GLC GAL 0.03087 0.40095 7.05128
53 3PGU OLA 0.009622 0.42256 7.69231
54 1SQI 869 0.006983 0.41735 7.69231
55 1ZHX HC3 0.003954 0.4023 7.69231
56 1A78 TDG 0.003421 0.45173 8.20895
57 4B1L FRU 0.004073 0.4429 8.33333
58 3I4X DST 0.005007 0.44142 8.33333
59 2VEG PMM 0.01587 0.41582 8.33333
60 2PUZ NIG 0.03726 0.40062 8.33333
61 3OYW TDG 0.002817 0.45956 8.95522
62 1OPB RET 0.01145 0.40736 8.95522
63 5HZ5 65X 0.004397 0.40621 8.95522
64 4H69 10Y 0.008741 0.41653 8.97436
65 3QCQ 3Q0 0.02274 0.41104 8.97436
66 1OGX EQU 0.004238 0.43146 9.16031
67 4D4U FUC NDG GAL FUC 0.02439 0.4092 9.61539
68 1W6O LAT 0.01693 0.41374 10.4478
69 2CDO GAL AAL GAL AAL GAL AAL 0.001394 0.46825 10.8974
70 5DG2 GAL GLC 0.000849 0.44739 11.1111
71 4RW3 IPD 0.02141 0.40914 11.5385
72 3EW2 BTN 0.0157 0.41194 11.8519
73 4X5S AZM 0.03492 0.40219 12.1795
74 1GT4 UNA 0.008719 0.41287 12.8205
75 3AVR OGA 0.002815 0.463 13.4615
76 3SAO NKN 0.0003304 0.40609 13.4615
77 1ZB6 DIN 0.002448 0.41359 16.6667
78 1ZB6 GST 0.004405 0.40479 16.6667
79 3P7N FMN 0.007174 0.40975 17.3077
80 2R5V HHH 0.0003252 0.48981 17.9487
81 1QFT HSM 0.0003637 0.41161 17.9487
82 2YNE YNE 0.004092 0.44514 21.1538
83 2YNE NHW 0.004092 0.44514 21.1538
84 1F52 ADP 0.007682 0.42319 21.1538
85 1P0Z FLC 0.03478 0.40686 22.1374
86 1EPB REA 0.0003952 0.47515 25.641
87 4IMO PWZ 0.01352 0.41784 28.8462
88 4Z28 BTN 0.01922 0.40754 30.597
89 5E89 TD2 0.0105 0.40911 30.9353
90 3FW4 CAQ 0.001467 0.41553 31.4103
91 1ERB ETR 0.003761 0.40467 34.6154
92 1IIU RTL 0.001342 0.40318 40.3846
93 4O9S 2RY 0.0008327 0.42905 41.6667
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