Receptor
PDB id Resolution Class Description Source Keywords
1GT4 2.1 Å NON-ENZYME: SIGNAL_HORMONE COMPLEX OF BOVINE ODORANT BINDING PROTEIN WITH UNDECANAL BOS TAURUS LIPOCALIN ODORANT-BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF BOVINE ODORANT-BINDING PROTEI COMPLEX WITH ODORANT MOLECULES. EUR.J.BIOCHEM. V. 271 3832 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UNA A:1160;
B:1158;
Valid;
Valid;
none;
none;
Kd = 0.3 uM
170.292 C11 H22 O CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GT4 2.1 Å NON-ENZYME: SIGNAL_HORMONE COMPLEX OF BOVINE ODORANT BINDING PROTEIN WITH UNDECANAL BOS TAURUS LIPOCALIN ODORANT-BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF BOVINE ODORANT-BINDING PROTEI COMPLEX WITH ODORANT MOLECULES. EUR.J.BIOCHEM. V. 271 3832 2004
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1PBO - SES C10 H18 N2 Se CCCCc1c([s....
2 1G85 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
3 1GT4 Kd = 0.3 uM UNA C11 H22 O CCCCCCCCCC....
4 1GT1 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
5 2HLV - LIK C12 H20 O2 CCCCC(=C)C....
6 1GT3 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
7 1GT5 Kd = 0.8 uM BZQ C13 H10 O c1ccc(cc1)....
8 1HN2 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1PBO - SES C10 H18 N2 Se CCCCc1c([s....
2 1G85 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
3 1GT4 Kd = 0.3 uM UNA C11 H22 O CCCCCCCCCC....
4 1GT1 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
5 2HLV - LIK C12 H20 O2 CCCCC(=C)C....
6 1GT3 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
7 1GT5 Kd = 0.8 uM BZQ C13 H10 O c1ccc(cc1)....
8 1HN2 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1PBO - SES C10 H18 N2 Se CCCCc1c([s....
2 1G85 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
3 1GT4 Kd = 0.3 uM UNA C11 H22 O CCCCCCCCCC....
4 1GT1 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
5 1GT3 Kd = 1.2 uM 3OM C8 H16 O CCCCC[C@@H....
6 1GT5 Kd = 0.8 uM BZQ C13 H10 O c1ccc(cc1)....
7 1HN2 Kd = 3.3 uM 3OL C8 H16 O CCCCC[C@H]....
8 1HQP - PRZ C9 H14 N2 O CC(C)Cc1c(....
9 1DZP ic50 = 3.6 uM BZQ C13 H10 O c1ccc(cc1)....
10 1E00 ic50 = 0.8 uM DHM C10 H20 O C[C@H](CCC....
11 1E06 ic50 = 2.5 uM IPB C10 H14 O Cc1ccc(c(c....
12 1DZJ ic50 = 1.3 uM SES C10 H18 N2 Se CCCCc1c([s....
13 1DZM ic50 = 3.9 uM BZM C14 H12 O2 c1ccc(cc1)....
14 1E02 ic50 = 0.7 uM UNA C11 H22 O CCCCCCCCCC....
15 1DZK Kd = 0.8 uM PRZ C9 H14 N2 O CC(C)Cc1c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UNA; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 UNA 1 1
2 OCD 1 1
3 8YP 1 1
4 OYA 0.954545 1
5 B7M 0.575758 0.75
6 PTL 0.541667 0.714286
7 1EY 0.529412 0.6875
8 TRD 0.5 0.733333
9 UND 0.5 0.733333
10 TWT 0.5 0.733333
11 MYS 0.5 0.733333
12 R16 0.5 0.733333
13 8K6 0.5 0.733333
14 D10 0.5 0.733333
15 LFA 0.5 0.733333
16 C14 0.5 0.733333
17 DD9 0.5 0.733333
18 D12 0.5 0.733333
19 3X1 0.457143 0.65
20 OCT 0.454545 0.733333
21 OLA 0.421053 0.636364
22 NER 0.421053 0.636364
23 ELA 0.421053 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GT4; Ligand: UNA; Similar sites found: 235
This union binding pocket(no: 1) in the query (biounit: 1gt4.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MNS 2AX 0.004816 0.44759 None
2 2XVD AS6 0.002772 0.439 None
3 4CS4 AXZ 0.009094 0.43128 None
4 4K55 H6P 0.00001009 0.42176 None
5 4DSU BZI 0.0001218 0.41549 None
6 4IPH 1FJ 0.008108 0.41284 None
7 4WUJ FMN 0.006582 0.40843 None
8 4GGZ BTN 0.01062 0.4067 None
9 3IS2 FAD 0.01364 0.40656 None
10 5XDT ZI7 0.0129 0.40635 None
11 4CS4 ANP 0.02672 0.40271 None
12 1WUB OTP 0.009371 0.4288 1.25786
13 5HWV MBN 0.0003134 0.42977 1.53846
14 5A5W GUO 0.005433 0.43842 1.88679
15 5HES 032 0.007672 0.40906 1.88679
16 2HZQ STR 0.01694 0.40661 1.88679
17 4J25 OGA 0.01409 0.41164 2.18341
18 1IA9 ANP 0.0004327 0.44204 2.51572
19 2QHV OC9 0.01247 0.4076 2.51572
20 2WEI VGG 0.005841 0.40134 2.51572
21 5D48 L96 0.001212 0.45261 2.63158
22 5SVV FMN 0.007847 0.40684 2.91971
23 2YMZ LAT 0.006017 0.43792 3.07692
24 2GC0 PAN 0.0007213 0.43864 3.14465
25 2X32 OTP 0.008852 0.43274 3.14465
26 2GU8 796 0.02042 0.42015 3.14465
27 1ZB6 GST 0.008717 0.41704 3.14465
28 1ZB6 DIN 0.009678 0.41357 3.14465
29 4WB6 ATP 0.008808 0.41266 3.14465
30 1RE8 BD2 0.02314 0.41121 3.14465
31 4BQY FNT 0.00234 0.40488 3.14465
32 5IH9 6BF 0.02272 0.4031 3.14465
33 1N9L FMN 0.001008 0.42462 3.66972
34 1U0A BGC BGC BGC BGC 0.0003373 0.46158 3.77358
35 3DLG GWE 0.006256 0.45113 3.77358
36 3TAY MN0 0.001242 0.45045 3.77358
37 2YAK OSV 0.002238 0.4448 3.77358
38 4YLL 4E3 0.001875 0.43873 3.77358
39 2GQS C2R 0.002749 0.41673 3.77358
40 5N87 N66 0.01783 0.40819 3.77358
41 2VFT SOR 0.009936 0.40808 3.77358
42 1JL0 PUT 0.01766 0.40298 3.77358
43 3R1V AZB 0.01248 0.40415 3.93701
44 1QKQ MAN 0.00001437 0.52755 4.22535
45 4OCT AKG 0.001051 0.4546 4.40252
46 1T27 PCW 0.003571 0.44933 4.40252
47 3IES M24 0.004323 0.43774 4.40252
48 1GQG DCD 0.002879 0.43022 4.40252
49 4ZS4 ATP 0.001572 0.41868 4.40252
50 3Q8G PEE 0.02839 0.4129 4.40252
51 4USF 6UI 0.01128 0.40466 4.40252
52 5JZJ AN2 0.007348 0.40433 4.40252
53 2I6A 5I5 0.008548 0.40332 4.40252
54 3PDT ADP 0.009222 0.40158 4.40252
55 4XBT FLC 0.007613 0.40364 4.51613
56 4XBT 3ZQ 0.007957 0.40278 4.51613
57 1Y9Q MED 0.005966 0.42729 4.6875
58 5FU3 BGC BGC BGC 0.006921 0.42769 4.71698
59 4R38 RBF 0.0008388 0.41918 5
60 1ERB ETR 0.0006392 0.46716 5.03145
61 2OVW CBI 0.001032 0.46059 5.03145
62 3B6R ADP 0.0003858 0.459 5.03145
63 3G08 FEE 0.003619 0.45796 5.03145
64 1U6R ADP 0.0004619 0.45795 5.03145
65 5C5T AKG 0.001382 0.45439 5.03145
66 5LIA 6XN 0.006098 0.45435 5.03145
67 2X4Z X4Z 0.002346 0.4492 5.03145
68 4CQE CQE 0.003196 0.44635 5.03145
69 2Y6Q I7T 0.0136 0.42518 5.03145
70 4XV1 904 0.007309 0.42445 5.03145
71 4N1T 2GD 0.007476 0.42398 5.03145
72 2QCS ANP 0.005376 0.42262 5.03145
73 4OTH DRN 0.004288 0.42056 5.03145
74 1OLM VTQ 0.006593 0.41997 5.03145
75 5IXG OTP 0.02272 0.41244 5.03145
76 2WQN ADP 0.008981 0.40602 5.03145
77 1JJE BYS 0.008201 0.40597 5.03145
78 4ZU4 4TG 0.001968 0.42766 5.40541
79 5EW9 5VC 0.02055 0.44053 5.66038
80 2A1L PCW 0.01484 0.41989 5.66038
81 2Y88 2ER 0.01805 0.40899 5.66038
82 4H6B 10Y 0.0109 0.40615 5.66038
83 5X8G S0N 0.03661 0.40514 5.66038
84 4ZXA H8N 0.01669 0.40137 5.66038
85 5A89 FMN 0.005913 0.43861 5.76923
86 5A89 ADP 0.005913 0.43861 5.76923
87 1C1L GAL BGC 0.00359 0.44263 5.83942
88 3BU1 HSM 0.02504 0.40111 6.08108
89 3T4L ZEA 0.0003053 0.45437 6.28931
90 4P5Z Q7M 0.002739 0.44958 6.28931
91 2VDF OCT 0.0002063 0.43938 6.28931
92 5DQ8 FLF 0.003592 0.43652 6.28931
93 5DBX ANP 0.0006837 0.43584 6.28931
94 4QTB 38Z 0.005915 0.42359 6.28931
95 4WCX MET 0.007455 0.41814 6.28931
96 5IXH OTP 0.01561 0.41791 6.28931
97 3JU6 ANP 0.0007504 0.41216 6.28931
98 4ITH RCM 0.00117 0.408 6.28931
99 4PSB GA3 0.02399 0.40089 6.45161
100 4X6F 3XU 0.0147 0.41636 6.66667
101 2ZHL NAG GAL GAL NAG 0.002081 0.43558 6.75676
102 5L9B AKG 0.001928 0.44732 6.91824
103 4KBA 1QM 0.002171 0.4448 6.91824
104 5W4W 9WG 0.003192 0.43894 6.91824
105 1EPB REA 0.001102 0.43882 6.91824
106 2WSA 646 0.01789 0.43738 6.91824
107 2WSA MYA 0.01789 0.43738 6.91824
108 4F4P 0SB 0.02296 0.41965 6.91824
109 3LVW GSH 0.01244 0.41681 6.91824
110 1Y0G 8PP 0.0168 0.41634 6.91824
111 3HQR OGA 0.002771 0.41192 6.91824
112 5TA6 79D 0.01537 0.40279 6.91824
113 1SN0 T44 0.006444 0.41274 6.92308
114 5U98 1KX 0.03082 0.41378 7.07071
115 2E27 AB0 0.007299 0.41022 7.14286
116 5AIG VPR 0.01362 0.40572 7.2
117 1ULE GLA GAL NAG 0.004126 0.44063 7.33333
118 4IAW LIZ 0.001157 0.45262 7.54717
119 1K97 ASP 0.009498 0.42458 7.54717
120 1K97 CIR 0.009498 0.42458 7.54717
121 2OVD DAO 0.007935 0.42285 7.54717
122 2AGC DAO 0.008488 0.41581 7.54717
123 1IIU RTL 0.0009169 0.4123 7.54717
124 5LUN ARG 0.009035 0.41215 7.54717
125 3E7O 35F 0.01251 0.41214 7.54717
126 4O9S 2RY 0.0004727 0.41088 7.54717
127 5A3T MMK 0.01398 0.40862 7.54717
128 5VC5 96M 0.01163 0.40845 7.54717
129 5LUN OGA 0.002324 0.40642 7.54717
130 1BHX ASP PHE GLU GLU ILE 0.01104 0.40588 7.61905
131 5L2J 6UL 0.004999 0.45746 7.66667
132 5L2J 70E 0.04204 0.41103 7.66667
133 1VJY 460 0.00217 0.44821 8.1761
134 2XIQ MLC 0.004863 0.42897 8.1761
135 1CLU DBG 0.01802 0.41393 8.1761
136 1VRP ADP 0.003953 0.40893 8.1761
137 1OJK GLC BGC 0.002224 0.40492 8.1761
138 1OJJ GLC GAL 0.002329 0.40428 8.1761
139 1GZW GAL BGC 0.009417 0.42114 8.20895
140 1ZM1 BGC BGC BGC 0.0003085 0.4633 8.80503
141 3SXF BK5 0.001509 0.45833 8.80503
142 4BG4 ADP 0.0003242 0.45279 8.80503
143 4BVA T3 0.00331 0.44783 8.80503
144 5MW4 5JU 0.01093 0.42459 8.80503
145 3WG3 A2G GAL NAG FUC 0.000232 0.41895 8.80503
146 1WNG SAH 0.00449 0.41782 8.80503
147 3MF2 AMP 0.006476 0.41412 8.80503
148 4H2V AMP 0.006126 0.41351 8.80503
149 2YNE NHW 0.04073 0.41341 8.80503
150 2YNE YNE 0.04073 0.41341 8.80503
151 1I7M PUT 0.01383 0.41301 8.80503
152 4ANW O92 0.01684 0.40598 8.80503
153 1W6P NDG GAL 0.008957 0.42412 8.95522
154 2YKL NLD 0.00009811 0.49718 9.43396
155 5UIU 8CG 0.003368 0.43647 9.43396
156 3RI1 3RH 0.003056 0.434 9.43396
157 4NFN 2KC 0.002203 0.42549 9.43396
158 4P7X AKG 0.005261 0.41081 9.43396
159 4P7X YCP 0.005261 0.41081 9.43396
160 5H9Y BGC BGC BGC BGC 0.003669 0.41008 9.43396
161 4FE2 AIR 0.01014 0.40765 9.43396
162 3GLC R5P 0.01022 0.4034 9.43396
163 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.004119 0.40208 9.73451
164 2WA4 069 0.0004337 0.46721 10.0629
165 5HCY 60D 0.003244 0.45137 10.0629
166 3JRS A8S 0.00203 0.43531 10.0629
167 4OYA 1VE 0.01492 0.4325 10.0629
168 3G5D 1N1 0.02176 0.41875 10.0629
169 1H2K OGA 0.01797 0.4053 10.0629
170 2A4W BLM 0.01847 0.40037 10.1449
171 3MTX PGT 0.002333 0.44672 10.596
172 3B00 16A 0.0009261 0.45723 10.6918
173 1GP6 QUE 0.003576 0.43084 10.6918
174 1GP6 DH2 0.00383 0.42789 10.6918
175 1GP6 SIN 0.00383 0.42789 10.6918
176 1I1E DM2 0.008493 0.42056 10.6918
177 2XMY CDK 0.03123 0.41599 10.6918
178 5MRH Q9Z 0.01003 0.41225 10.6918
179 3FW4 CAQ 0.01395 0.40192 11.236
180 5F3I 5UJ 0.0329 0.40964 11.3208
181 4I54 1C1 0.01669 0.40497 11.3208
182 2YG2 S1P 0.003625 0.40027 11.3208
183 1OGX EQU 0.001098 0.43302 11.4504
184 1KGI T4A 0.0003441 0.47428 11.811
185 5DYO FLU 0.00007393 0.42839 11.9497
186 5VNF VAL THR SER VAL VAL 0.0008252 0.41861 11.9497
187 3ACL 3F1 0.004405 0.41214 11.9497
188 1HXD BTN 0.006961 0.4092 11.9497
189 3OPT AKG 0.02193 0.40194 11.9497
190 3QCQ 3Q0 0.01831 0.43734 12.5786
191 2XG5 EC2 0.006213 0.4295 12.5786
192 2XG5 EC5 0.006213 0.4295 12.5786
193 3AVR OGA 0.009195 0.42195 12.5786
194 5HA0 LTD 0.008719 0.41287 12.8205
195 4XIZ LPP 0.00154 0.45661 12.8571
196 5BVE 4VG 0.0009135 0.49208 13.2075
197 4WOE ADP 0.0007708 0.46 13.2075
198 5DEY 59T 0.00345 0.45736 13.2075
199 2RCU BUJ 0.03822 0.40632 13.2075
200 2WKQ FMN 0.003239 0.40548 13.2075
201 1OUK 084 0.004019 0.47843 13.8365
202 1M15 ARG 0.001009 0.46667 13.8365
203 1M15 ADP 0.001009 0.46667 13.8365
204 4LOO SB4 0.001104 0.44107 13.8365
205 2V0U FMN 0.004277 0.40053 14.3836
206 2DYR TGL 0.02328 0.40041 14.8936
207 2G30 ALA ALA PHE 0.000003435 0.61465 15.0943
208 4QMN DB8 0.005201 0.43389 15.7233
209 1OFL NGK GCD 0.01259 0.41112 15.7233
210 4NG2 OHN 0.01066 0.4042 15.9292
211 4UWJ 7L5 0.03127 0.41656 16.9811
212 4UWJ MYA 0.03127 0.41656 16.9811
213 2ET1 GLV 0.01697 0.40705 17.6101
214 5FLJ QUE 0.00432 0.42216 18.239
215 2XK9 XK9 0.01469 0.41224 18.239
216 4YBN FAD 0.01326 0.40845 18.239
217 3E9I XAH 0.01889 0.40118 18.239
218 4TW7 37K 0.01262 0.40539 18.75
219 3JQ3 ADP 0.003334 0.43072 18.8679
220 2OFV 242 0.01379 0.41356 18.8679
221 2JBM SRT 0.006413 0.41326 19.4969
222 3LXN MI1 0.002884 0.40179 19.4969
223 3ZJX BOG 0.00616 0.43121 20.1258
224 3RGA LSB 0.0008462 0.4439 20.7547
225 4WHZ 3NL 0.00258 0.46011 22.0126
226 2OO8 RAJ 0.01158 0.40091 22.0126
227 1Z03 OCH 0.01678 0.40563 24.5283
228 2WT2 GAL NAG GAL NAG GAL NAG 0.01299 0.40335 26.4151
229 3H0L ADP 0.01017 0.41196 27.6596
230 5H2U 1N1 0.005105 0.4114 29.5597
231 3SAO DBH 0.000008083 0.42513 33.3333
232 3SAO NKN 0.00128 0.41908 33.3333
233 2GJ5 VD3 0.0001329 0.51284 35.8491
234 3KFF ZBT 0.00000000427 0.61092 49.0566
235 3KFF XBT 0.00000000427 0.61092 49.0566
Pocket No.: 2; Query (leader) PDB : 1GT4; Ligand: UNA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1gt4.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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