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Receptor
PDB id Resolution Class Description Source Keywords
1F5F 1.7 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMP ZINC HOMO SAPIENS JELLYROLL SIGNALING PROTEIN
Ref.: STEROID-BINDING SPECIFICITY OF HUMAN SEX HORMONE-BI GLOBULIN IS INFLUENCED BY OCCUPANCY OF A ZINC-BINDI J.BIOL.CHEM. V. 275 25920 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:250;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
DHT A:253;
Valid;
none;
submit data
290.44 C19 H30 O2 C[C@]...
IPA A:254;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
ZN A:251;
A:252;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1F5F 1.7 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMP ZINC HOMO SAPIENS JELLYROLL SIGNALING PROTEIN
Ref.: STEROID-BINDING SPECIFICITY OF HUMAN SEX HORMONE-BI GLOBULIN IS INFLUENCED BY OCCUPANCY OF A ZINC-BINDI J.BIOL.CHEM. V. 275 25920 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1F5F - DHT C19 H30 O2 C[C@]12CCC....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1D2S - DHT C19 H30 O2 C[C@]12CCC....
2 1KDM - DHT C19 H30 O2 C[C@]12CCC....
3 1KDK Kd = 0.9 nM DHT C19 H30 O2 C[C@]12CCC....
4 1LHV - NOG C21 H28 O2 CC[C@]12CC....
5 1LHN - AON C19 H32 O2 C[C@]12CC[....
6 1LHU - EST C18 H24 O2 C[C@]12CC[....
7 1LHW Kd = 6.9 nM ESM C19 H26 O3 C[C@]12CC[....
8 1LHO - AOM C19 H32 O2 C[C@]12CC[....
9 1F5F - DHT C19 H30 O2 C[C@]12CCC....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1D2S - DHT C19 H30 O2 C[C@]12CCC....
2 1KDM - DHT C19 H30 O2 C[C@]12CCC....
3 1KDK Kd = 0.9 nM DHT C19 H30 O2 C[C@]12CCC....
4 1LHV - NOG C21 H28 O2 CC[C@]12CC....
5 1LHN - AON C19 H32 O2 C[C@]12CC[....
6 1LHU - EST C18 H24 O2 C[C@]12CC[....
7 1LHW Kd = 6.9 nM ESM C19 H26 O3 C[C@]12CC[....
8 1LHO - AOM C19 H32 O2 C[C@]12CC[....
9 1F5F - DHT C19 H30 O2 C[C@]12CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DHT; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 BDT 1 1
2 DHT 1 1
3 CI2 0.602941 0.78125
4 3KL 0.551282 0.805556
5 5SD 0.536232 0.78125
6 ANO 0.536232 0.78125
7 AON 0.530303 0.935484
8 AOM 0.530303 0.935484
9 ENM 0.472527 0.659091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1F5F; Ligand: DHT; Similar sites found with APoc: 347
This union binding pocket(no: 1) in the query (biounit: 1f5f.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4XMF HSM None
2 4ZTD ALA GLY ALA GLY ALA None
3 6D6L FY4 None
4 3ZO7 K6H None
5 5B09 4MX None
6 6FA4 D1W None
7 5CLO NS8 None
8 1HBK COA None
9 5K21 6QF None
10 1WEI ADE None
11 2GC0 PAN None
12 3VKX T3 None
13 6BU0 IHP None
14 3RWP ABQ 0.97561
15 1QIN GIP 1.0929
16 3EM0 CHD 1.44928
17 4WHZ 3NL 1.46341
18 5TV6 PML 1.46341
19 4D52 GXL 1.46341
20 2JK0 ASP 1.46341
21 4D52 GIV 1.46341
22 2ZMF CMP 1.5873
23 4XIZ LPP 1.76471
24 5IXG OTP 1.77515
25 2AG4 LP3 1.82927
26 2AG4 OLA 1.82927
27 3TAY MN0 1.84049
28 2YAK OSV 1.95122
29 1ZY5 ANP 1.95122
30 2OVW CBI 1.95122
31 3HCH RSM 2.05479
32 4JH6 FCN 2.17391
33 1P0Z FLC 2.29008
34 1ZNY GDP 2.43902
35 5DYO FLU 2.43902
36 5DRB 5FJ 2.43902
37 4WOE ADP 2.43902
38 5OF1 SAL 2.43902
39 1E1O LYS 2.43902
40 2WSA 646 2.43902
41 2WSA MYA 2.43902
42 4YBN FAD 2.43902
43 4IX4 ADP 2.43902
44 1UNB AKG 2.43902
45 5OM2 DXT 2.43902
46 1X54 4AD 2.43902
47 1K0E TRP 2.43902
48 1W96 S1A 2.43902
49 1FDJ 13P 2.43902
50 5ZW7 FAD 2.43902
51 2TPS TPS 2.43902
52 2OJW ADP 2.43902
53 1ITU CIL 2.43902
54 5N0L ILE 2.51572
55 4Z3E GAL NGA GLA BGC GAL 2.52525
56 5OCG 9R5 2.6455
57 3MVH WFE 2.92683
58 5WL1 CUY 2.92683
59 5WL1 D3D 2.92683
60 2WLG SOP 2.92683
61 5L6G XYP 2.92683
62 5KR7 6X9 2.92683
63 5HCY 60D 2.92683
64 5IH9 6BF 2.92683
65 4BFM ANP 2.92683
66 1NC2 DOE 2.92683
67 4F4P 0SB 2.92683
68 2HIM ASP 2.92683
69 2HJR APR 2.92683
70 3AR5 TM1 2.92683
71 5XDT ZI7 2.92683
72 1M15 ARG 2.92683
73 1M15 ADP 2.92683
74 4BG4 ADP 2.92683
75 4S28 SAH 2.92683
76 4S28 AIR 2.92683
77 2HIM ASN 2.92683
78 4YZC STU 2.92683
79 4TW7 37K 3.125
80 5N87 N66 3.19489
81 3E2M E2M 3.24324
82 2GQS C2R 3.41463
83 4YRI 4JH 3.41463
84 1RYD GLC 3.41463
85 3PP0 03Q 3.41463
86 5DQ8 FLF 3.41463
87 2I4O ATP 3.41463
88 5W4W 9WG 3.41463
89 4KBA 1QM 3.41463
90 5J75 6GQ 3.41463
91 3PE2 E1B 3.41463
92 2Z5Y HRM 3.41463
93 1VJY 460 3.41463
94 4CQE CQE 3.41463
95 4BTV RB3 3.41463
96 1VA6 ADP 3.41463
97 1VA6 P2S 3.41463
98 3LXN MI1 3.41463
99 4I54 1C1 3.41463
100 6FYL 3NG 3.41463
101 2Z77 HE7 3.59712
102 2Z3U CRR 3.76471
103 4MA6 28E 3.82166
104 2J5B TYE 3.90244
105 1Q11 TYE 3.90244
106 2CYB TYR 3.90244
107 5L2R MLA 3.90244
108 5U98 1KX 3.90244
109 5EO8 TFU 3.90244
110 3NEM AMO 3.90244
111 5KO1 6UY 3.90244
112 5ALC TIQ 3.90244
113 5EW9 5VC 3.90244
114 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 3.90244
115 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 3.90244
116 2XK9 XK9 3.90244
117 4H3P ANP 3.90244
118 2YKL NLD 3.90244
119 2QGI UDP 3.90244
120 5LI1 ANP 3.90244
121 1LVW TYD 3.90244
122 2CM4 RCL 4
123 5TZO 7V7 4.25532
124 3KV8 FAH 4.31655
125 2VDF OCT 4.39024
126 4B2Z P5S 4.39024
127 3KYG 5GP 5GP 4.39024
128 3ZJX BOG 4.39024
129 5XVG 8FX 4.39024
130 4ZH7 FUC GAL NAG GAL FUC 4.39024
131 3MF2 AMP 4.39024
132 5UIU 8CG 4.39024
133 4MOB ADP 4.39024
134 5D9G GLU ASN LEU TYR PHE GLN 4.39024
135 2E0N SAH 4.39024
136 6B3V 7DQ 4.39024
137 6B3V ANP 4.39024
138 5EXK MET 4.39024
139 1U6R ADP 4.39024
140 5UPK ANP 4.39024
141 5EZU MYR 4.49438
142 3CBC DBS 4.54545
143 4USI ATP 4.54545
144 3MTX PGT 4.63576
145 1TW4 CHD 4.8
146 4L3L 5FI 4.87805
147 3KJQ B94 4.87805
148 3PPQ CHT 4.87805
149 5WO4 B7V 4.87805
150 2QHV OC9 4.87805
151 12AS AMP 4.87805
152 4ITH RCM 4.87805
153 3VRY B43 4.87805
154 5NDB 8TW 4.87805
155 2CYC TYR 4.87805
156 5FSY AR6 4.87805
157 4DQ2 BTX 4.87805
158 3B6R ADP 4.87805
159 2PNC CLU 4.87805
160 4P5Z Q7M 4.87805
161 3SLS ANP 4.87805
162 4X3R 686 4.87805
163 3EPO MP5 4.87805
164 3NZ1 3NY 4.98084
165 6EWZ APC 5.06329
166 5OKT 9XK 5.09554
167 4Y24 TD2 5.19481
168 2Y2B AH0 5.34759
169 5YJS SAL 5.36585
170 3DLG GWE 5.36585
171 3JU6 ANP 5.36585
172 1H3F TYE 5.36585
173 4BVA T3 5.36585
174 4LIT AKG 5.36585
175 3JQ3 ADP 5.36585
176 2X5W K2B 5.36585
177 4IEN GDP 5.52147
178 3QRC SCR 5.73248
179 4WVO 3UZ 5.85366
180 6GW4 CHO 5.85366
181 6CC0 EWM 5.85366
182 6DW2 HD4 5.85366
183 3G1Z AMP 5.85366
184 5FPE 3TR 5.85366
185 4O9S 2RY 5.85366
186 5LY1 PPI 5.85366
187 3ACL 3F1 5.85366
188 3OYW TDG 5.97015
189 4LAE 1VM 5.98802
190 4LAE NAP 5.98802
191 1MFI FHC 6.14035
192 5Y4R C2E 6.2069
193 1Y7P RIP 6.34146
194 2RCU BUJ 6.34146
195 4FFG LBS 6.34146
196 4FE2 AIR 6.34146
197 4CS4 AXZ 6.34146
198 4CS4 ANP 6.34146
199 6MPT C30 6.34146
200 5KJW 53C 6.34146
201 4FFG 0U8 6.34146
202 1SDW IYT 6.34146
203 5BVE 4VG 6.34146
204 4XTX 590 6.34146
205 5T8U LPA 6.34146
206 4IAW LIZ 6.38298
207 5TPV TYD 6.53595
208 2RDE C2E 6.77291
209 5TUF TDC 6.82927
210 5TUF FAD 6.82927
211 1VRP ADP 6.82927
212 3HKW IX6 6.82927
213 2CSN CKI 6.82927
214 2XVD AS6 6.82927
215 4OJP MAL 6.82927
216 2W9S TOP 6.8323
217 5AYT L6Y 6.91824
218 4RYV ZEA 7.09677
219 3QXV MTX 7.14286
220 5W10 CMP 7.17949
221 2FTB OLA 7.2
222 1WUB OTP 7.30337
223 4RF7 ARG 7.31707
224 2Y6Q I7T 7.31707
225 6C0T EE4 7.31707
226 5MW4 5JU 7.31707
227 1PJ6 FOL 7.31707
228 4L9I 8PR 7.31707
229 5MRH Q9Z 7.31707
230 2DXU BT5 7.31707
231 5VKM GAL SIA 7.31707
232 1WPY BTN 7.31707
233 2ET1 GLV 7.46269
234 3TKI S25 7.80488
235 5VC5 96M 7.80488
236 3LVW GSH 7.80488
237 3GD9 GLC BGC BGC BGC 7.80488
238 3C8F MT2 7.80488
239 6E08 NAP 7.80488
240 4NOS H4B 7.80488
241 5WX3 COA 7.80488
242 6CGD GNP 7.80488
243 6CGD AKN 7.80488
244 4R38 RBF 7.85714
245 2P7Q GG6 8.27068
246 6GWR FEW 8.29268
247 4WO4 JLS 8.29268
248 3E9I XAH 8.29268
249 2JLD AG1 8.29268
250 2ART LPA AMP 8.29268
251 5UKL SIX 8.29268
252 6GVZ CHO 8.29268
253 3HUJ AGH 8.29268
254 2BPM 529 8.29268
255 4YJK URA 8.29268
256 2HJ4 PNZ 8.29268
257 5KY4 GDP 8.29268
258 3FP0 FP0 8.29268
259 5F7Y GLC GAL NAG GAL FUC A2G 8.33333
260 2J9D ADP 8.40336
261 5HWV MBN 8.46154
262 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 8.51064
263 4X6F 3XU 8.78049
264 4GNC ASO 8.78049
265 1HG4 LPP 8.78049
266 4UWJ MYA 8.78049
267 4UWJ 7L5 8.78049
268 5IVE 6E8 8.78049
269 5F6U 5VK 8.9172
270 4NS0 PIO 9.02256
271 3L9R L9Q 9.18367
272 3L9R L9R 9.18367
273 5G48 1FL 9.26829
274 5LXT GTP 9.26829
275 3G5D 1N1 9.26829
276 2OFV 242 9.26829
277 2J3M PRI 9.26829
278 1REQ DCA 9.26829
279 1Y0G 8PP 9.42408
280 5A89 FMN 9.61539
281 5A89 ADP 9.61539
282 4NG2 OHN 9.73451
283 4N70 2HX 9.7561
284 4OTH DRN 9.7561
285 5H9Y BGC BGC BGC BGC 9.7561
286 4RFM 3P6 9.7561
287 5GLT BGC GAL NAG GAL 9.7561
288 2GOO NDG 9.80392
289 4S1D 41M 10
290 2JDR L20 10.2439
291 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 10.2439
292 3KYF 5GP 5GP 10.2439
293 5N2D 8J8 10.4167
294 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 10.5263
295 5IDB BMA 10.5634
296 2DT5 NAD 10.7317
297 6A1G 9OL 10.7317
298 5H2U 1N1 10.7317
299 5IXH OTP 11.1801
300 3A16 PXO 11.2195
301 4WNK 453 11.2195
302 4I53 1C1 11.2195
303 1MFD GLA MMA ABE 11.2195
304 4IQY AR6 11.2195
305 1QKQ MAN 11.2676
306 1MEX RAC 11.6279
307 4YVN EBS 11.7073
308 1LSH PLD 11.7073
309 2YNE NHW 11.7073
310 2YNE YNE 11.7073
311 4ZDM GLY 11.7073
312 5D48 L96 11.8421
313 5XLY C2E 12.0301
314 5N2F 8HW 12.0968
315 1OFL NGK GCD 12.1951
316 1F9V ADP 12.1951
317 3FYS PLM 12.1951
318 5H9Q TD2 12.2581
319 6GBV FMN 12.3288
320 3QSB 743 12.6829
321 3IWD M2T 12.9032
322 1RE8 BD2 13.1707
323 2GU8 796 13.1707
324 3H0L ADP 13.1707
325 4RT1 C2E 13.3929
326 5T96 79J 13.6585
327 1TT8 PHB 14.0244
328 5NIU 8YZ 14.1463
329 4MPO AMP 14.3791
330 3SAO DBH 15
331 6H39 FGY 15.122
332 3PVW QRX 16.2162
333 1H8S AIC 16.5854
334 4K55 H6P 16.9355
335 5NLD LBT 17.2662
336 1WOR RED 18.0488
337 1GT4 UNA 20.1258
338 4F7E 0SH 21.9512
339 4W9N TCL 22.9268
340 2G30 ALA ALA PHE 23.4146
341 3G08 FEE 24.3902
342 3RUG DB6 24.3902
343 5FKP 6UL 24.3902
344 5LVP ATP 26.6667
345 4QYN RTL 31.5789
346 1ULE GLA GAL NAG 33.3333
347 4LOO SB4 34.4828
Pocket No.: 2; Query (leader) PDB : 1F5F; Ligand: DHT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1f5f.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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