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Receptor
PDB id Resolution Class Description Source Keywords
3GYT 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE NUCLEAR RECEPTOR DAF-12 FROM PARASITIC NEMATODE STRONGYLOIDES STERCORALIS IN COMPLEX WITH ITS PHYSIOLOGICALL IGAND DAFACHRONIC ACID DELTA 4 STRONGYLOIDES STERCORALIS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN DAFACHRONIC ACID SRC1 NEMATODE STRONGYLOIDES STERCORALIS DNA-BINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: IDENTIFICATION OF THE NUCLEAR RECEPTOR DAF-12 AS A THERAPEUTIC TARGET IN PARASITIC NEMATODES. PROC.NATL.ACAD.SCI.USA V. 106 9138 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DL4 A:100;
Valid;
none;
submit data
414.621 C27 H42 O3 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GYT 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE NUCLEAR RECEPTOR DAF-12 FROM PARASITIC NEMATODE STRONGYLOIDES STERCORALIS IN COMPLEX WITH ITS PHYSIOLOGICALL IGAND DAFACHRONIC ACID DELTA 4 STRONGYLOIDES STERCORALIS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN DAFACHRONIC ACID SRC1 NEMATODE STRONGYLOIDES STERCORALIS DNA-BINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER
Ref.: IDENTIFICATION OF THE NUCLEAR RECEPTOR DAF-12 AS A THERAPEUTIC TARGET IN PARASITIC NEMATODES. PROC.NATL.ACAD.SCI.USA V. 106 9138 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3GYU - DL7 C27 H42 O3 C[C@H](CCC....
2 3GYT - DL4 C27 H42 O3 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DL4; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DL4 1 1
2 K2B 0.8 0.775
3 3G6 0.695122 0.923077
4 XCA 0.556701 0.926829
5 1CA 0.544444 0.837209
6 TH2 0.542553 0.926829
7 TES 0.541176 0.85
8 FFA 0.541176 0.85
9 STR 0.54023 0.794872
10 Y01 0.445455 0.904762
11 ASD 0.426966 0.794872
12 CLR 0.407767 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GYT; Ligand: DL4; Similar sites found with APoc: 194
This union binding pocket(no: 1) in the query (biounit: 3gyt.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 5UC4 83S None
3 3CYI ATP None
4 1L0I PSR None
5 4G86 BNT 1.63934
6 4LBP 1WG 2
7 2VDY HCY 2.04918
8 2QCX PF1 2.04918
9 1FX8 BOG 2.45902
10 3DSK T25 2.45902
11 2FDW D3G 2.45902
12 1DMH MCT 2.45902
13 5E9H MLI 2.45902
14 1Y75 NAG 2.54237
15 4XB4 45D 2.63158
16 3G4Q MCH 2.73973
17 3GN8 DEX 2.86885
18 4E2J MOF 2.86885
19 3MN5 LAB 2.86885
20 6BR9 PGV 2.86885
21 4IGH ORO 2.86885
22 4IGH FMN 2.86885
23 4IGH 1EA 2.86885
24 1DTL BEP 3.10559
25 4URN NOV 3.11111
26 3ZO7 K6H 3.19149
27 6DIO CIT 3.27869
28 5HCV 60R 3.27869
29 2Q1H AS4 3.27869
30 3O01 DXC 3.27869
31 2ZI8 SDT 3.27869
32 4HY1 19X 3.33333
33 4DOO DAO 3.41463
34 1S14 NOV 3.60825
35 2F2G HMH 3.61991
36 2Q4X HMH 3.61991
37 5I8F ML1 3.63636
38 2HHP FLC 3.68852
39 6FBA D48 3.68852
40 3U1T MLI 3.68852
41 3DOO SKM 3.68852
42 6D28 NEC 3.68852
43 2BHW NEX 3.87931
44 2YLD CMO 3.93701
45 5LX9 OLB 4.09836
46 4OAR 2S0 4.09836
47 1TV5 N8E 4.09836
48 1SR7 MOF 4.09836
49 2D5X L35 4.09836
50 4YSX E23 4.09836
51 4BAE RWX 4.39024
52 1WEI ADE 4.44444
53 2GBB CIT 4.48718
54 3L0E G58 4.5082
55 3B99 U51 4.5082
56 6CB2 OLC 4.5082
57 4DE3 DN8 4.5082
58 3RY9 1CA 4.5082
59 4DDY DN6 4.5082
60 1ZGA HMK 4.5082
61 4RZB NFQ 4.5082
62 4DK7 0KS 4.5082
63 2PNC CLU 4.5082
64 5UI2 EQ3 4.5082
65 1NF8 BOG 4.83092
66 3HY2 ATP 4.85437
67 4P6X HCY 4.91803
68 3D78 NBB 5.04202
69 4JGP PYR 5.06912
70 4RW3 SHV 5.32787
71 3T3Z 9PL 5.32787
72 5Y02 MXN 5.60748
73 5E70 RCD 5.7377
74 3N75 G4P 5.7377
75 5OKL PAM 5.7377
76 4UBS DIF 6.14754
77 6B9T 2HE 6.14754
78 3WBG 2AN 6.53595
79 3WXL ADP 6.55738
80 4E70 N7I 6.55738
81 5K6A 6QT 6.94444
82 4MRP GSH 6.96721
83 3D9F N6C 6.96721
84 6BR8 PGV 7.37705
85 6BR8 6OU 7.37705
86 5B25 4QJ 7.37705
87 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.82313
88 1XVB 3BR 8.19672
89 4JD3 COA 8.19672
90 4JD3 PLM 8.19672
91 3KAL HGS 8.19672
92 5K52 OCD 8.19672
93 5N18 8HZ 8.25688
94 5BWD FUM 8.33333
95 5LWY OLB 8.40336
96 1LFO OLA 8.59375
97 4OKD GLC GLC GLC 8.60656
98 1YC4 43P 9.01639
99 6BVI EC4 9.42623
100 6BVL EBY 9.42623
101 6BVK EAV 9.42623
102 6BVJ EAS 9.42623
103 6BVM EBV 9.42623
104 4URX FK1 9.42623
105 4URX HXY 9.42623
106 2XCM ADP 9.45946
107 5OCA 9QZ 9.52381
108 4K7O EKZ 9.52381
109 5C1M OLC 9.6
110 3B6C SDN 9.82906
111 4PGK Y69 9.83607
112 3TL1 JRO 10.0629
113 5U98 1KX 10.101
114 3DBX PLM 10.101
115 5C9J DAO 10.101
116 3HUJ AGH 10.101
117 1HBK MYR 10.1124
118 5OLR RAM ADA RAM 10.6557
119 4DM8 REA 11.0656
120 6FX0 E9T 11.0656
121 3SHZ 5CO 11.0656
122 1N46 PFA 11.4754
123 1RV1 IMZ 11.7647
124 2R40 20E 11.7871
125 3NB0 G6P 11.8852
126 3JZB 4HY 12.7049
127 5UC9 MYR 12.8319
128 2BCG GER 14.3443
129 5DXG EST 15.1639
130 5DX3 EST 15.1639
131 3UUD EST 15.1639
132 5WGD EST 15.1639
133 5WGQ EST 15.1639
134 5DXE EST 15.1639
135 4MG9 27K 15.1639
136 4MGA 27L 15.1639
137 4MGD 27N 15.1639
138 3UU7 2OH 15.1639
139 4MG8 27J 15.1639
140 3UUA 0CZ 15.1639
141 4MG7 27H 15.1639
142 4TV1 36M 15.1639
143 4MGB XDH 15.1639
144 4TUZ 36J 15.1639
145 5HYR EST 15.1639
146 1MID LAP 15.3846
147 6F9G PUT 15.9836
148 1RL4 BL5 16.3934
149 3KFC 61X 17.2131
150 3AI3 SOL 17.623
151 1M2Z DEX 18.8525
152 1M2Z BOG 18.8525
153 5G5W R8C 19.2623
154 5KAU RHQ 20
155 1T0S BML 20.9302
156 4HBM 0Y7 21.6667
157 1X8D RNS 22.1154
158 5Z84 CHD 22.3529
159 2I0G I0G 24.1803
160 3KDU NKS 24.1803
161 1U3R 338 24.4813
162 1YYE 196 25
163 4J26 EST 25.4167
164 4J24 EST 25.4167
165 3OLL EST 25.4167
166 2YJD YJD 25.4167
167 5LGA 6VH 26.6393
168 5E7V M7E 26.6393
169 4Q0A 4OA 26.6393
170 3KMR EQN 28.2787
171 3KMZ EQO 28.2787
172 5K13 6Q7 28.2787
173 5A86 D7E 28.6885
174 1M13 HYF 28.6885
175 3BEJ MUF 30.2521
176 2O4J VD4 30.3279
177 3OKI OKI 30.4721
178 2WOR 2AN 31
179 3RUU 37G 31.441
180 3FUR Z12 31.5574
181 3G9E RO7 31.5574
182 4OIV XX9 31.8584
183 3IPQ 965 31.9672
184 3FAL LO2 32.2314
185 3FAL REA 32.2314
186 1RDT L79 32.2314
187 4OGQ 7PH 32.5
188 6A5Y 9R0 32.7731
189 6A5Y 9CR 32.7731
190 3DCT 064 33.3333
191 3H0A 9RA 34.2105
192 3VRV YSD 37.7049
193 5XPL 8C9 37.7049
194 4S15 4D8 46.1538
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