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Receptor
PDB id Resolution Class Description Source Keywords
3NHT 1.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE ANST-D7L1-U46619 COMPLEX ANOPHELES STEPHENSI ALL-HELICAL ODORANT-BINDING PROTEIN LIGAND-BINDING PROTEINTRANSPORT PROTEIN
Ref.: THE FUNCTION AND THREE-DIMENSIONAL STRUCTURE OF A THROMBOXANE A(2)/CYSTEINYL LEUKOTRIENE-BINDING PROT THE SALIVA OF A MOSQUITO VECTOR OF THE MALARIA PARA PLOS BIOL. V. 8 00547 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:298;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
U46 A:1;
Valid;
none;
Kd = 98 nM
350.492 C21 H34 O4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NHT 1.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE ANST-D7L1-U46619 COMPLEX ANOPHELES STEPHENSI ALL-HELICAL ODORANT-BINDING PROTEIN LIGAND-BINDING PROTEINTRANSPORT PROTEIN
Ref.: THE FUNCTION AND THREE-DIMENSIONAL STRUCTURE OF A THROMBOXANE A(2)/CYSTEINYL LEUKOTRIENE-BINDING PROT THE SALIVA OF A MOSQUITO VECTOR OF THE MALARIA PARA PLOS BIOL. V. 8 00547 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3NHT Kd = 98 nM U46 C21 H34 O4 CCCCC[C@H]....
2 3NHI - EAH C20 H32 O3 CCCCCC=C/C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3NHT Kd = 98 nM U46 C21 H34 O4 CCCCC[C@H]....
2 3NHI - EAH C20 H32 O3 CCCCCC=C/C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3DYE - LNR C8 H11 N O3 c1cc(c(cc1....
2 3DZT Kd = 60 nM EAH C20 H32 O3 CCCCCC=C/C....
3 3NHT Kd = 98 nM U46 C21 H34 O4 CCCCC[C@H]....
4 3NHI - EAH C20 H32 O3 CCCCCC=C/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U46; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 U46 1 1
2 PWZ 0.698795 1
3 PG2 0.545455 0.714286
4 U51 0.43956 0.64
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NHT; Ligand: U46; Similar sites found with APoc: 91
This union binding pocket(no: 1) in the query (biounit: 3nht.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3KP6 SAL None
2 2B99 RDL None
3 3TL1 JRO None
4 4WG0 CHD None
5 4BNU 9KQ None
6 1XMY ROL 1.01351
7 1XMU ROF 1.01351
8 2YIV YIV 1.68919
9 1PSC EBP 1.68919
10 5F1V 3VN 1.68919
11 6CB2 OLC 1.70648
12 1MFI FHC 1.75439
13 1ZPD CIT 2.02703
14 5M37 9SZ 2.17391
15 5M36 9SZ 2.18341
16 2Y7P SAL 2.29358
17 6B9T 2HE 2.36486
18 1I0B PEL 2.36486
19 5KDX GAL TNR 2.36486
20 6CGN DA 2.7027
21 5KD8 TNR 2.7027
22 4GID 0GH 2.7027
23 6BMS POV 2.7027
24 1XQP 8HG 2.73438
25 2Z77 NCA 2.8777
26 3SHZ 5CO 2.88184
27 4WGF HX2 2.92683
28 4NKW PLO 3.04054
29 1NHZ 486 3.57143
30 1VR0 3SL 3.64372
31 6A0S NDP 3.71622
32 1ZED PNP 3.71622
33 3HP9 CF1 3.71622
34 1M2Z BOG 3.89105
35 4O4Z N2O 3.8961
36 4TV1 36M 3.98406
37 5C1M CLR 4
38 5C1M OLC 4
39 1SW1 PBE 4
40 4ZGM 32M 4.09836
41 2VGD XYP XYP 4.12844
42 3TDC 0EU 4.19948
43 4MGA 27L 4.31373
44 5CHR 4NC 4.37956
45 3BJC WAN 4.39189
46 4YMU ARG 4.54545
47 5UGW GSH 4.57143
48 1DKF OLA 4.68085
49 5W7B MYR 4.72973
50 5OLK DTP 4.72973
51 2OZ5 7XY 4.72973
52 4OB6 S2T 4.72973
53 6GBV FMN 4.79452
54 5AZC PGT 5.06757
55 5IM3 DTP 5.40541
56 2UW1 GVM 5.40541
57 4WH9 3M8 5.46448
58 1SBR VIB 5.5
59 2X2M X2M 5.74324
60 3G58 988 5.74324
61 5INJ TRP 5.74324
62 5LX9 OLB 5.98592
63 2C1P FNZ 5.99078
64 3WQM B29 6.08108
65 2GN2 C5P 7.09459
66 3N7S 3N7 7.29167
67 3ZKI WZV 7.43243
68 5ZWP GSH 7.69231
69 3ZJQ NCA 8.20513
70 3RMK BML 8.43373
71 1NU4 MLA 9.27835
72 1R6N 434 9.47867
73 5HWV MBN 10.7692
74 3DSK T25 10.8108
75 1FM9 9CR 11.3971
76 3FAL REA 12.406
77 5LWY OLB 14.2857
78 1T0S BML 14.527
79 1VKF CIT 15.4255
80 1L0I PSR 16.6667
81 1DTL BEP 16.7702
82 5Z84 CHD 17.4312
83 5W97 CHD 17.4312
84 5ZCO CHD 17.4312
85 6C0B PAM 19.2308
86 4OGQ 1O2 19.3548
87 4OGQ 7PH 19.3548
88 2XKO AKG 20.2247
89 2BCG GER 23.301
90 2Y69 CHD 30.2632
91 5V13 JH3 35.0694
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