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Receptor
PDB id Resolution Class Description Source Keywords
1D2S 1.55 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE N-TERMINAL LAMININ G-LIKE DOMAIN OF COMPLEX WITH DIHYDROTESTOSTERONE HOMO SAPIENS STEROID TRANSPORT LAMININ G-LIKE DOMAIN JELLYROLL ANDROGEPROTEIN (ABP) SEX STEROID BINDING PROTEIN (SBP) TRANSPORT
Ref.: CRYSTAL STRUCTURE OF HUMAN SEX HORMONE-BINDING GLOB STEROID TRANSPORT BY A LAMININ G-LIKE DOMAIN. EMBO J. V. 19 504 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:401;
A:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
DHT A:301;
Valid;
none;
submit data
290.44 C19 H30 O2 C[C@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KDK 1.7 Å NON-ENZYME: TRANSPORT THE STRUCTURE OF THE N-TERMINAL LG DOMAIN OF SHBG IN CRYSTALS SOAKED WITH EDTA HOMO SAPIENS SHBG DHT TRANSPORT PROTEIN
Ref.: RESOLUTION OF A DISORDERED REGION AT THE ENTRANCE OF THE HUMAN SEX HORMONE-BINDING GLOBULIN STEROID-BINDING SITE. J.MOL.BIOL. V. 318 621 2002
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 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[....
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 : 1KDK; Ligand: DHT; Similar sites found with APoc: 320
This union binding pocket(no: 1) in the query (biounit: 1kdk.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4XMF HSM None
2 3VKX T3 None
3 5K21 6QF None
4 4ZTD ALA GLY ALA GLY ALA None
5 1LNX URI None
6 5CLO NS8 None
7 6FA4 D1W None
8 5B09 4MX None
9 1IS3 LAT None
10 4UP5 94W None
11 3S0E EOL None
12 1I7A PHE None
13 6D6L FY4 None
14 3ZO7 K6H None
15 2GC0 PAN None
16 6BU0 IHP None
17 3RWP ABQ 1.12994
18 2ET1 GLV 1.12994
19 1VHW ADN 1.12994
20 3EM0 CHD 1.44928
21 5TV6 PML 1.69492
22 1OUK 084 1.69492
23 2ZMF CMP 1.69492
24 3SRV S19 1.69492
25 5EO8 TFU 1.69492
26 3PTG 932 1.69492
27 1YC4 43P 1.69492
28 4F4P 0SB 1.69492
29 1VKF CIT 1.69492
30 4XIZ LPP 1.76471
31 3TAY MN0 1.84049
32 5EJL C2E 2.01613
33 3HCH RSM 2.05479
34 5X8G S0N 2.25989
35 2YAK OSV 2.25989
36 3QH2 3NM 2.25989
37 3BU5 ATP 2.25989
38 1G2O IMH 2.25989
39 1ZY5 ANP 2.25989
40 1U5R ATP 2.25989
41 1Q19 SSC 2.25989
42 1VMK GUN 2.25989
43 3EXS 5RP 2.25989
44 3KDU NKS 2.25989
45 3GUZ PAF 2.27273
46 1P0Z FLC 2.29008
47 5OCG 9R5 2.6455
48 5DYO FLU 2.82486
49 1ZNY GDP 2.82486
50 5OF1 SAL 2.82486
51 4Z3E GAL NGA GLA BGC GAL 2.82486
52 3OQJ 3CX 2.82486
53 2YAB AMP 2.82486
54 1K0E TRP 2.82486
55 5BVE 4VG 2.82486
56 1ITU CIL 2.82486
57 4MZU TDR 2.82486
58 1FDJ 13P 2.82486
59 3V8S 0HD 2.82486
60 3I27 SID 2.82486
61 5TZO 7V7 2.82486
62 2WSA MYA 2.82486
63 2WSA 646 2.82486
64 6GZD LCI 2.82486
65 5EPA AKG 2.82486
66 2AC7 ADN 2.82486
67 2AGC MYR 3.08642
68 4TW7 37K 3.125
69 5N87 N66 3.19489
70 3U40 ADN 3.38983
71 3MVH WFE 3.38983
72 6F4W FMC 3.38983
73 5L6G XYP 3.38983
74 2P4S DIH 3.38983
75 2WLG SOP 3.38983
76 4WHZ 3NL 3.38983
77 4ZH7 FUC GAL NAG GAL FUC 3.38983
78 4D52 GIV 3.38983
79 5MRH Q9Z 3.38983
80 5WL1 D3D 3.38983
81 5WL1 CUY 3.38983
82 3MHA Z69 3.38983
83 4BG4 ADP 3.38983
84 4D52 GXL 3.38983
85 5IH9 6BF 3.38983
86 1NC2 DOE 3.38983
87 3E2M E2M 3.38983
88 1NC4 DOF 3.38983
89 4BFM ANP 3.38983
90 2G7C GLA GAL NAG 3.38983
91 4CIB 7UZ 3.38983
92 5U9J GER 3.5503
93 1X8D RNS 3.84615
94 2GQS C2R 3.9548
95 1RYD GLC 3.9548
96 2I4O ATP 3.9548
97 6FYL 3NG 3.9548
98 4YRI 4JH 3.9548
99 4LIT AKG 3.9548
100 2FCU AKG 3.9548
101 6CGZ HL6 3.9548
102 4L77 CNL 3.9548
103 5J75 6GQ 3.9548
104 3A7R LAQ 3.9548
105 4B1V LAB 3.9548
106 2Z3U CRR 3.9548
107 4I54 1C1 3.9548
108 2J5S KTA 3.9548
109 2Z5Y HRM 3.9548
110 5GNX BGC 3.9548
111 3PLS ANP 3.9548
112 4AG8 AXI 3.9548
113 5X8I SQZ 4.04624
114 1DZK PRZ 4.4586
115 2J5B TYE 4.51977
116 2YKL NLD 4.51977
117 5EXK MET 4.51977
118 2CYB TYR 4.51977
119 1Q11 TYE 4.51977
120 5OMY 9YE 4.51977
121 2PYW ADP 4.51977
122 1JE1 GMP 4.51977
123 4DC2 ADE 4.51977
124 1OI6 TMP 4.51977
125 1LVW TYD 4.51977
126 5EW9 5VC 4.51977
127 2ZRU FMN 4.51977
128 2QGI UDP 4.51977
129 3CBC DBS 4.54545
130 1TW4 CHD 4.8
131 3KJQ B94 4.87805
132 2AG4 LP3 4.87805
133 2AG4 OLA 4.87805
134 2VDF OCT 5.08475
135 3A16 PXO 5.08475
136 4MOB ADP 5.08475
137 5UPK ANP 5.08475
138 3ZJX BOG 5.08475
139 3KYG 5GP 5GP 5.08475
140 4B2Z P5S 5.08475
141 5XVG 8FX 5.08475
142 5D9G GLU ASN LEU TYR PHE GLN 5.08475
143 3JU6 ANP 5.08475
144 1U6R ADP 5.08475
145 3NEM ATP 5.08475
146 5UIU 8CG 5.08475
147 4L4V 1VY 5.08475
148 4FFG LBS 5.08475
149 2E0N SAH 5.08475
150 3MF2 AMP 5.08475
151 2D24 XYS XYS 5.08475
152 5Z54 0HZ 5.08475
153 3ZGJ RMN 5.08475
154 4A4X JUP 5.08475
155 5A6N U7E 5.08475
156 4IEN GDP 5.52147
157 2PNC CLU 5.64972
158 2QHV OC9 5.64972
159 4B1M FRU FRU 5.64972
160 3B6R ADP 5.64972
161 3PPQ CHT 5.64972
162 5JZJ AN2 5.64972
163 4L3L 5FI 5.64972
164 3C0G 3AM 5.64972
165 3FP0 FP0 5.64972
166 1RQH PYR 5.64972
167 5FSY AR6 5.64972
168 4P5Z Q7M 5.64972
169 3QRC SCR 5.73248
170 1MFI FHC 6.14035
171 5Y4R C2E 6.2069
172 5KJW 53C 6.21469
173 5YJS SAL 6.21469
174 3JQ3 ADP 6.21469
175 5T8U LPA 6.21469
176 6EWZ APC 6.21469
177 5ETJ IM5 6.21469
178 1Q23 FUA 6.21469
179 5WO4 B7V 6.21469
180 2RDE C2E 6.77291
181 3G1Z AMP 6.77966
182 6GW4 CHO 6.77966
183 4WVO 3UZ 6.77966
184 4IAW LIZ 6.77966
185 5FPE 3TR 6.77966
186 1O4T OXL 6.77966
187 3PNQ 2HA 6.77966
188 3RI1 3RH 6.77966
189 3HUJ AGH 6.77966
190 6CI9 F3V 6.77966
191 4WA2 SIA GAL NAG 6.77966
192 3LXN MI1 6.77966
193 6CC0 EWM 6.77966
194 4RYV ZEA 7.09677
195 3QXV MTX 7.14286
196 2FTB OLA 7.2
197 4CS4 ANP 7.34463
198 2VL1 GLY GLY 7.34463
199 1Y7P RIP 7.34463
200 2RCU BUJ 7.34463
201 3TKI S25 7.34463
202 1SDW IYT 7.34463
203 2XK9 XK9 7.34463
204 4CS4 AXZ 7.34463
205 4FE2 AIR 7.34463
206 4F9C 0SX 7.63889
207 4R38 RBF 7.85714
208 1F9V ADP 7.9096
209 5TUF TDC 7.9096
210 4WO4 JLS 7.9096
211 1VRP ADP 7.9096
212 2RIO ADP 7.9096
213 5TUF FAD 7.9096
214 1AUA BOG 7.9096
215 3C8F MT2 7.9096
216 5W10 CMP 7.9096
217 4OJP MAL 7.9096
218 4DFU QUE 7.9096
219 3HKW IX6 7.9096
220 1CEB AMH 7.95455
221 5ZZB LAB 8.08823
222 2P7Q GG6 8.27068
223 2J9D ADP 8.40336
224 5HWV MBN 8.46154
225 2HKA C3S 8.46154
226 4RF7 ARG 8.47458
227 1LSH PLD 8.47458
228 2Y6Q I7T 8.47458
229 4L9I 8PR 8.47458
230 4RKX 3S9 8.47458
231 5MW4 5JU 8.47458
232 5LY1 PPI 8.47458
233 3EUF BAU 8.47458
234 4P8K FAD 8.47458
235 5F6U 5VK 8.9172
236 4WOE ADP 9.03955
237 4NOS H2B 9.03955
238 5OKT 9XK 9.03955
239 4RM0 FUC NAG GAL 9.03955
240 4XCB AKG 9.03955
241 4TWP AXI 9.03955
242 5W4W 9WG 9.03955
243 4KBA 1QM 9.03955
244 4NOS H4B 9.03955
245 3LVW GSH 9.03955
246 4YLZ LAT NAG GAL 9.15033
247 3L9R L9Q 9.18367
248 4Q5H ANP 9.21053
249 5IXH OTP 9.31677
250 4S1D 41M 9.54545
251 4YJK URA 9.60452
252 2JLD AG1 9.60452
253 3E9I XAH 9.60452
254 6GVZ CHO 9.60452
255 2ART LPA AMP 9.60452
256 5UKL SIX 9.60452
257 6GWR FEW 9.60452
258 2HJ4 PNZ 9.60452
259 5A89 FMN 9.61539
260 4NG2 OHN 9.73451
261 3DLS ADP 10.1695
262 3KV4 OGA 10.1695
263 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 10.5263
264 5IDB BMA 10.5634
265 5G48 1FL 10.7345
266 5L2R MLA 10.7345
267 5EWK P34 10.7345
268 3G5D 1N1 10.7345
269 3RF4 FUN 11.2069
270 1QKQ MAN 11.2676
271 4QPW XYP XYP XYP 11.2676
272 4N70 2HX 11.2994
273 5H9Y BGC BGC BGC BGC 11.2994
274 5H2U 1N1 11.2994
275 2YNE NHW 11.2994
276 2YNE YNE 11.2994
277 5NIU 8YZ 11.7188
278 5D48 L96 11.8421
279 3KYF 5GP 5GP 11.8644
280 5KWY C3S 11.8644
281 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 11.8644
282 2JDR L20 11.8644
283 3W9R A8S 11.8644
284 5U98 1KX 11.8644
285 5XLY C2E 12.0301
286 1OFL NGK GCD 12.4294
287 6A1G 9OL 12.4294
288 3GD9 GLC BGC BGC BGC 12.9944
289 4WNK 453 12.9944
290 4X6F 3XU 12.9944
291 4I53 1C1 12.9944
292 4RT1 C2E 13.3929
293 4YVN EBS 13.5593
294 3RGA LSB 14.1243
295 3QSB 743 14.6893
296 2OYH GLY HIS ARG PRO 14.6893
297 1NKI PPF 14.8148
298 3SAO DBH 15
299 1RE8 BD2 15.2542
300 3H0L ADP 15.2542
301 1SQ5 PAU 15.2542
302 3O0W MAN MAN MAN GLC 15.2542
303 5T96 79J 15.8192
304 3PVW QRX 16.2162
305 1ODJ GMP 16.3842
306 4K55 H6P 16.9355
307 3DAK ANP 17.5141
308 1H8S AIC 18.6441
309 4ZSI GLP 18.7134
310 1GT4 UNA 20.1258
311 5L8L ADP 20.904
312 3T4L ZEA 22.5989
313 5DBX ANP 23.7288
314 4F7E 0SH 25.4237
315 5LVP ATP 26.6667
316 2G30 ALA ALA PHE 27.1186
317 3G08 FEE 28.2486
318 3RUG DB6 28.2486
319 4QYN RTL 31.5789
320 4LOO SB4 34.4828
Pocket No.: 2; Query (leader) PDB : 1KDK; 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: 1kdk.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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