Receptor
PDB id Resolution Class Description Source Keywords
6IBB 2.12 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE RAT ISOFORM OF THE SUCCINATE RECEPT (GPR91) IN COMPLEX WITH A NANOBODY RATTUS NORVEGICUS SUCNR1 GPR91 GPCR G-PROTEIN COUPLED RECEPTOR NANOBODY SUCCINCOMPLEX MEMBRANE PROTEIN
Ref.: STRUCTURAL BASIS OF SPECIES-SELECTIVE ANTAGONIST BI THE SUCCINATE RECEPTOR. NATURE V. 574 581 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:409;
A:409;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
OLC C:405;
A:404;
A:408;
C:401;
A:401;
C:406;
A:403;
A:402;
C:407;
A:406;
C:408;
C:404;
A:405;
C:402;
A:407;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
CLR C:403;
 Invalid;
 none;
 submit data
386.654 C27 H46 O CC(C)...
H95 A:410;
 Valid;
 none;
 submit data
118.174 C6 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RNK 1.94 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A HUMANIZED (K18E, K269N) RAT SUCCINATE SUCNR1 (GPR91) IN COMPLEX WITH A NANOBODY AND ANTAGONIST NF RATTUS NORVEGICUS SUCNR1 GPR91 GPCR G-PROTEIN COUPLED RECEPTOR NANOBODY ANTAGONIST SUCCINATE COMPLEX MEMBRANE PROTEIN
Ref.: STRUCTURAL BASIS OF SPECIES-SELECTIVE ANTAGONIST BI THE SUCCINATE RECEPTOR. NATURE V. 574 581 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 6IBB - H95 C6 H14 O2 C[C@H](CC[....
2 6Z10 - Q4T C26 H22 Cl F3 N2 O4 c1cc(c(c(c....
3 6RNK - KAZ C27 H29 N3 O3 CN1CCN(CC1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6IBB - H95 C6 H14 O2 C[C@H](CC[....
2 6Z10 - Q4T C26 H22 Cl F3 N2 O4 c1cc(c(c(c....
3 6RNK - KAZ C27 H29 N3 O3 CN1CCN(CC1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6IBB - H95 C6 H14 O2 C[C@H](CC[....
2 6Z10 - Q4T C26 H22 Cl F3 N2 O4 c1cc(c(c(c....
3 6RNK - KAZ C27 H29 N3 O3 CN1CCN(CC1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: H95; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 HX2 1 1
2 DYD 1 1
3 H95 1 1
4 BU4 0.6 0.7
5 BU2 0.6 0.7
6 SBT 0.5 0.625
Similar Ligands (3D)
Ligand no: 1; Ligand: H95; Similar ligands found: 390
No: Ligand Similarity coefficient
1 SIN 1.0000
2 FUM 1.0000
3 MAE 0.9909
4 4MV 0.9906
5 NMG 0.9719
6 SHF 0.9700
7 DQY 0.9691
8 OAA 0.9639
9 PGA 0.9610
10 LMR 0.9596
11 ABU 0.9558
12 IPU 0.9536
13 MLA 0.9518
14 MLI 0.9510
15 LEU 0.9509
16 GLU 0.9507
17 LEA 0.9490
18 KIV 0.9478
19 TEO 0.9474
20 IVA 0.9451
21 ASP 0.9437
22 G3P 0.9435
23 3PP 0.9430
24 OKG 0.9421
25 URP 0.9416
26 ASN 0.9408
27 CMS 0.9407
28 MLT 0.9403
29 UGC 0.9398
30 COI 0.9396
31 OPE 0.9394
32 ITN 0.9388
33 TFB 0.9385
34 HDA 0.9385
35 VKC 0.9384
36 X1S 0.9381
37 SSN 0.9377
38 MLM 0.9365
39 CRN 0.9359
40 IOM 0.9359
41 1GP 0.9353
42 2CO 0.9351
43 0VT 0.9344
44 HCS 0.9339
45 GLN 0.9335
46 2RH 0.9333
47 HTX 0.9332
48 VAL 0.9329
49 S0H 0.9318
50 BUB 0.9316
51 CP 0.9314
52 EHM 0.9311
53 A20 0.9306
54 IZC 0.9305
55 SPA 0.9302
56 9X7 0.9299
57 40E 0.9283
58 GLY GLY 0.9273
59 ALO 0.9272
60 DAV 0.9263
61 ISZ 0.9258
62 3HL 0.9256
63 DMG 0.9255
64 PRO 0.9251
65 CFI 0.9246
66 A8C 0.9242
67 IQ0 0.9242
68 6NA 0.9237
69 DAS 0.9234
70 JYD 0.9233
71 THR 0.9231
72 69O 0.9229
73 BP9 0.9228
74 AKG 0.9215
75 98J 0.9214
76 OK7 0.9213
77 PUT 0.9208
78 13P 0.9206
79 AAE 0.9198
80 TZC 0.9196
81 7VD 0.9196
82 CSS 0.9194
83 2KT 0.9189
84 PCA 0.9186
85 T2C 0.9184
86 ITU 0.9184
87 PE9 0.9176
88 PIS 0.9176
89 MAK 0.9175
90 DSN 0.9172
91 BHO 0.9172
92 PAE 0.9165
93 BEZ 0.9164
94 SRT 0.9159
95 OEG 0.9156
96 FQI 0.9156
97 AML 0.9152
98 PAH 0.9149
99 HYP 0.9149
100 MPD 0.9147
101 HSE 0.9146
102 MUC 0.9146
103 ILE 0.9145
104 BEN 0.9140
105 G3H 0.9135
106 3HR 0.9134
107 PGH 0.9130
108 PBC 0.9125
109 CYS 0.9124
110 SMV 0.9124
111 MRZ 0.9124
112 SER 0.9123
113 PZI 0.9115
114 DBB 0.9108
115 BAM 0.9106
116 6PC 0.9105
117 TLA 0.9102
118 GUA 0.9096
119 JBN 0.9096
120 XRG 0.9095
121 3PY 0.9094
122 TZL 0.9093
123 XYL 0.9085
124 2PC 0.9083
125 DPR 0.9083
126 TB6 0.9081
127 AKB 0.9081
128 14J 0.9080
129 NIZ 0.9079
130 HSO 0.9077
131 XLS 0.9075
132 3SS 0.9074
133 AL0 0.9074
134 49F 0.9073
135 ACH 0.9072
136 HE2 0.9069
137 PG3 0.9068
138 9YL 0.9066
139 DTU 0.9066
140 IP8 0.9064
141 PEP 0.9063
142 MEQ 0.9063
143 P2D 0.9062
144 C2N 0.9062
145 PYC 0.9059
146 NCA 0.9059
147 UNU 0.9058
148 7BC 0.9058
149 C5J 0.9056
150 DAB 0.9053
151 HSM 0.9052
152 SPV 0.9047
153 1DQ 0.9045
154 0V5 0.9042
155 GP9 0.9040
156 MRY 0.9038
157 YCP 0.9037
158 SD4 0.9033
159 1DU 0.9030
160 MET 0.9028
161 KG7 0.9028
162 YIV 0.9025
163 PPR 0.9025
164 BNS 0.9020
165 C21 0.9020
166 PRS 0.9014
167 ORN 0.9013
168 DYA 0.9011
169 LTL 0.9005
170 PCT 0.9005
171 BXO 0.9004
172 NIO 0.9003
173 XBT 0.9000
174 CCE 0.8997
175 FBJ 0.8997
176 7WG 0.8996
177 4HA 0.8996
178 ETX 0.8995
179 2PN 0.8995
180 ISU 0.8994
181 PSE 0.8989
182 HIS 0.8988
183 ABN 0.8988
184 NTN 0.8988
185 1KA 0.8988
186 LLQ 0.8986
187 PAC 0.8986
188 SHO 0.8984
189 UY7 0.8981
190 TAR 0.8980
191 GZ3 0.8979
192 NBZ 0.8979
193 SEP 0.8977
194 A3B 0.8974
195 AG2 0.8973
196 S2G 0.8972
197 HYA 0.8972
198 BUA 0.8970
199 3SL 0.8970
200 AC5 0.8969
201 DE5 0.8969
202 JZ5 0.8966
203 ZBT 0.8966
204 PMB 0.8964
205 HP6 0.8963
206 NPO 0.8962
207 IHG 0.8961
208 PZA 0.8960
209 FB2 0.8957
210 2RA 0.8957
211 9X6 0.8957
212 R67 0.8956
213 NXA 0.8956
214 GG6 0.8955
215 ABA 0.8955
216 PLU 0.8954
217 GLY ALA 0.8954
218 FOA 0.8954
219 03W 0.8952
220 HZP 0.8950
221 HL5 0.8950
222 265 0.8950
223 SAT 0.8949
224 UYA 0.8945
225 THE 0.8942
226 DGL 0.8942
227 HV2 0.8942
228 M58 0.8939
229 TP5 0.8937
230 NVA 0.8935
231 HIO 0.8931
232 1SP 0.8930
233 PPV 0.8929
234 QY9 0.8929
235 NBE 0.8928
236 4LR 0.8921
237 BHH 0.8920
238 AMC 0.8919
239 23W 0.8918
240 3S5 0.8918
241 QSC 0.8916
242 1SH 0.8915
243 273 0.8914
244 SYN 0.8910
245 9ON 0.8907
246 DGY 0.8905
247 NLE 0.8905
248 RSO 0.8905
249 XUL 0.8902
250 ONL 0.8899
251 PHB 0.8897
252 TAU 0.8892
253 1SA 0.8890
254 GGL 0.8890
255 129 0.8889
256 ROR 0.8888
257 PRI 0.8884
258 APY 0.8884
259 N6C 0.8884
260 4SD 0.8882
261 BMD 0.8880
262 SS1 0.8878
263 B24 0.8877
264 AHB 0.8875
265 PYJ 0.8872
266 CYX 0.8868
267 282 0.8866
268 DCY 0.8866
269 LER 0.8866
270 PAB 0.8865
271 16D 0.8862
272 M6W 0.8858
273 ACA 0.8853
274 FSG 0.8852
275 HVQ 0.8852
276 CHT 0.8848
277 HY1 0.8846
278 7A8 0.8846
279 FPI 0.8846
280 GLL 0.8846
281 SGL 0.8845
282 FBM 0.8844
283 SAR 0.8843
284 2HG 0.8841
285 OHG 0.8841
286 RB5 0.8840
287 5XA 0.8838
288 CXF 0.8837
289 DCL 0.8836
290 HIU 0.8834
291 BAL 0.8833
292 IT2 0.8829
293 SMB 0.8829
294 PEQ 0.8829
295 AC0 0.8826
296 1DJ 0.8824
297 KMH 0.8823
298 DGN 0.8818
299 SNE 0.8818
300 2HE 0.8816
301 PBZ 0.8814
302 FLA 0.8813
303 POP 0.8810
304 LNO 0.8808
305 ICF 0.8806
306 5FX 0.8806
307 54D 0.8806
308 FW5 0.8805
309 BAE 0.8801
310 FEH 0.8798
311 JZ7 0.8798
312 FCN 0.8797
313 URO 0.8797
314 MSF 0.8796
315 KMT 0.8794
316 IXW 0.8794
317 MXN 0.8793
318 DE2 0.8790
319 MDN 0.8789
320 VAH 0.8787
321 GAG 0.8787
322 MNN 0.8783
323 ODV 0.8781
324 O8Y 0.8779
325 DXX 0.8778
326 VGL 0.8778
327 XAP 0.8777
328 MED 0.8775
329 PG0 0.8774
330 PEA 0.8772
331 2IT 0.8771
332 ZGL 0.8769
333 DTL 0.8767
334 51F 0.8765
335 TZE 0.8764
336 MZ0 0.8761
337 F9P 0.8759
338 TPA 0.8758
339 2AS 0.8753
340 MZW 0.8753
341 PEL 0.8751
342 OCT 0.8750
343 JAB 0.8742
344 271 0.8742
345 RBL 0.8740
346 BVC 0.8739
347 AT3 0.8735
348 I1E 0.8733
349 I4B 0.8733
350 GPF 0.8722
351 BVG 0.8716
352 SKG 0.8715
353 CCD 0.8709
354 3OL 0.8708
355 XM0 0.8703
356 0OC 0.8701
357 60P 0.8699
358 BNF 0.8699
359 3OM 0.8698
360 FOC 0.8695
361 9J3 0.8687
362 3PG 0.8681
363 G2H 0.8671
364 MTG 0.8670
365 GBD 0.8667
366 GPJ 0.8664
367 MTD 0.8660
368 CHH 0.8657
369 23B 0.8654
370 CEE 0.8653
371 1P3 0.8642
372 SLP 0.8641
373 HY3 0.8636
374 8EW 0.8631
375 RNS 0.8628
376 OXQ 0.8618
377 2EH 0.8613
378 PAF 0.8613
379 DTT 0.8613
380 4CS 0.8609
381 P72 0.8608
382 EGD 0.8593
383 PMF 0.8577
384 7CL 0.8574
385 TIU 0.8574
386 MSE 0.8570
387 I2M 0.8561
388 PRA 0.8557
389 N4B 0.8552
390 HG3 0.8547
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RNK; Ligand: KAZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6rnk.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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