-->
Receptor
PDB id Resolution Class Description Source Keywords
1N1G 2.5 Å EC: 1.1.1.8 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHAT DEHYDROGENASE WITH INHIBITOR BCP LEISHMANIA MEXICANA NAD BINDING DOMAIN OXIDOREDUCTASE
Ref.: ANOMALOUS DIFFERENCES OF LIGHT ELEMENTS IN DETERMIN PRECISE BINDING MODES OF LIGANDS TO GLYCEROL-3-PHOS DEHYDROGENASE. CHEM.BIOL. V. 9 1189 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCP A:401;
A:402;
A:403;
Valid;
Valid;
Valid;
none;
none;
none;
ic50 = 5 mM
233.453 C5 H2 Br Cl N4 c1[nH...
PLM A:901;
Invalid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N1G 2.5 Å EC: 1.1.1.8 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHAT DEHYDROGENASE WITH INHIBITOR BCP LEISHMANIA MEXICANA NAD BINDING DOMAIN OXIDOREDUCTASE
Ref.: ANOMALOUS DIFFERENCES OF LIGHT ELEMENTS IN DETERMIN PRECISE BINDING MODES OF LIGANDS TO GLYCEROL-3-PHOS DEHYDROGENASE. CHEM.BIOL. V. 9 1189 2002
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BCP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BCP 1 1
2 BOA 0.5 0.697674
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N1G; Ligand: BCP; Similar sites found with APoc: 523
This union binding pocket(no: 1) in the query (biounit: 1n1g.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1X7D NAD 1.14286
2 1X7D ORN 1.14286
3 1LDN NAD 1.26582
4 5H81 NAP 1.36612
5 1F8G NAD 1.36612
6 1GR0 NAD 1.36612
7 2WET FAD 1.36612
8 1UP7 NAD 1.36612
9 2IZ1 ATR 1.63934
10 1F8F NAD 1.63934
11 1U8X NAD 1.63934
12 5U8U FAD 1.63934
13 1YQD NAP 1.63934
14 4CP8 MLI 1.64271
15 1NVT NAP 1.74216
16 5YU3 NAD 1.74419
17 5YU3 PRO 1.74419
18 5W3K 9TY 1.76471
19 5W3K NDP 1.76471
20 5GZ6 NDP 1.84049
21 5GZ6 7C3 1.84049
22 2J5V PCA 1.91257
23 1YKJ FAD 1.91257
24 1YKJ PHB 1.91257
25 1E5Q NDP 1.91257
26 1Q9I TEO 1.91257
27 1Q9I FAD 1.91257
28 4M52 FAD 1.91257
29 4M52 M52 1.91257
30 2A8X FAD 1.91257
31 4JBI NDP 1.91257
32 4U8P FDA 1.91257
33 4KBF AMP 1.91781
34 3HAD NAD 1.94805
35 1HKU NAD 1.95531
36 3WBF API 1.96721
37 3WBF NAP 1.96721
38 5A1T NAI 2.05279
39 5A1T OXM 2.05279
40 5A04 BGC 2.0649
41 5A04 NDP 2.0649
42 4B7X NAP 2.08333
43 6CEP OXM 2.09581
44 6CEP NAD 2.09581
45 3BAZ NAP 2.1021
46 1J49 NAD 2.1021
47 1V6A TRE 2.10843
48 5DBX ANP 2.13415
49 1D1T NAD 2.18579
50 1GQ2 NAP 2.18579
51 2Y6Q FAD 2.18579
52 5BUK FAD 2.18579
53 5MZI FAD 2.18579
54 5MZI FYK 2.18579
55 1MO9 FAD 2.18579
56 2BRY FAD 2.18579
57 1MO9 KPC 2.18579
58 5Y77 FAD 2.18579
59 2Y6Q I7T 2.18579
60 4OPC PGT 2.18579
61 5UAO FAD 2.18579
62 4OPC FDA 2.18579
63 1LTH NAD 2.19436
64 1WVG APR 2.22841
65 1UGY GLA GLC 2.25564
66 1UGW GAL 2.25564
67 1WS4 AMG 2.25564
68 1KUJ MMA 2.25564
69 1WS5 MMA 2.25564
70 1M26 GAL A2G 2.25564
71 1WS4 GYP 2.25564
72 1UGY GLA BGC 2.25564
73 1JAC AMG 2.25564
74 1TOQ AMG 2.25564
75 3VYW SAM 2.27273
76 5O9F 9ON 2.27273
77 5O9F NAD 2.27273
78 5G6U TRP 2.29885
79 2AHR NAP 2.3166
80 5TWB FAD 2.32558
81 3B20 NAD 2.35988
82 3B1J NAD 2.35988
83 4L9Z OXL 2.35988
84 2O4C NAD 2.36842
85 5U5G NAP 2.37288
86 3KB6 NAD 2.39521
87 1LJ8 NAD 2.43408
88 1M2W NAD 2.43408
89 3FPZ AHZ 2.45399
90 3EF0 ALF 2.45902
91 2NPX NAD 2.45902
92 1OBB NAD 2.45902
93 2GMH FAD 2.45902
94 5G3U FDA 2.45902
95 5G3U ITW 2.45902
96 2IID FAD 2.45902
97 2IID PHE 2.45902
98 1KOL NAD 2.45902
99 2Q7V FAD 2.46154
100 1T26 GBD 2.48447
101 1T26 NAI 2.48447
102 5VKT NAP 2.48619
103 3C1O NAP 2.49221
104 3CIF NAD 2.50696
105 3CIF G3H 2.50696
106 4YRY NAD 2.53623
107 4YRY FAD 2.53623
108 5UR0 NAD 2.5788
109 3TWO NDP 2.58621
110 4XZ3 COA 2.6087
111 1O6Z NAD 2.64026
112 6AA8 NAD 2.64901
113 1W6U NAP 2.64901
114 1W73 NAP 2.64901
115 1W8D NAP 2.64901
116 3L4S 3PG 2.67857
117 5Y8L HUI 2.71186
118 5Y8L NAD 2.71186
119 4PLT NAI 2.71903
120 4PLT OXM 2.71903
121 3L9W AMP 2.73224
122 1PJS NAD 2.73224
123 3ULK NDP 2.73224
124 2ZBL BMA 2.73224
125 4TXI FAD 2.73224
126 3T31 DCQ 2.73224
127 3T31 FAD 2.73224
128 4R5M NAP 2.73224
129 2GV8 NDP 2.73224
130 1EBF NAD 2.73224
131 5KVS NAP 2.73224
132 1VQW FAD 2.73224
133 2XVF FAD 2.73224
134 2GVC FAD 2.73224
135 4TM3 FAD 2.73224
136 5KVS 6XR 2.73224
137 5VN0 NAI 2.73224
138 5TS5 FAD 2.73224
139 1PGP 6PG 2.73224
140 1QO8 FAD 2.73224
141 5DN9 NAD 2.74725
142 2A92 NAI 2.80374
143 1PL6 NAD 2.80899
144 1PL6 572 2.80899
145 1F06 NDP 2.8125
146 5J60 FAD 2.8125
147 3CTY FAD 2.82132
148 1EZ4 NAD 2.83019
149 2DT5 NAD 2.8436
150 4JJF FE9 2.90698
151 4JJF N2I 2.90698
152 2UVO NAG 2.92398
153 1Q0H NDP 2.95567
154 1Q0H FOM 2.95567
155 2F6U CIT 2.99145
156 6C4T NA7 3.00546
157 3OND ADN 3.00546
158 3OND NAD 3.00546
159 1SC6 NAD 3.00546
160 2WPF WPF 3.00546
161 2WPF FAD 3.00546
162 3UOY FAD 3.00546
163 3UOY NAP 3.00546
164 1XHC FAD 3.00546
165 5TUK FAD 3.00546
166 1HDG NAD 3.01205
167 4NPT 017 3.0303
168 3AYI FAD 3.05132
169 3AYI HCI 3.05132
170 5Z21 NAI 3.07263
171 5UAV NDP 3.10559
172 5UAV TFB 3.10559
173 1GZ6 NAI 3.1348
174 4TSK NDP 3.14286
175 4L80 OXL 3.16092
176 5TC4 NAD 3.16456
177 3H9E NAD 3.17919
178 1NVM NAD 3.18841
179 1HYE NAP 3.19489
180 5KKA 6V0 3.20513
181 2BGM NAJ 3.23741
182 3L6C MLI 3.24484
183 4MP8 MLI 3.24484
184 4MP8 NAD 3.24484
185 4Y24 TD2 3.24675
186 1GZ4 ATP 3.26679
187 4GKV NAD 3.27381
188 4ZGS NAD 3.27869
189 1KJ8 GAR 3.27869
190 1V59 NAD 3.27869
191 4RQU NAD 3.27869
192 2NVK NAP 3.27869
193 5FI3 NAP 3.27869
194 1E3I CXF 3.27869
195 3SQP FAD 3.27869
196 4EIP FAD 3.27869
197 1V59 FAD 3.27869
198 5AO7 NAG 3.27869
199 2QA1 FAD 3.27869
200 3M89 GSP 3.27869
201 5X9D 80F 3.28947
202 4PLG NAI 3.29341
203 4PLG OXM 3.29341
204 1P77 ATR 3.30882
205 5JE8 NAD 3.31126
206 1H2B NAJ 3.34262
207 5GUD NDP 3.39703
208 4YCA NDP 3.40136
209 3B1F NAD 3.44828
210 3OJO NAD 3.55191
211 3A06 NDP 3.55191
212 5EVY FAD 3.55191
213 6A3J NAI 3.55191
214 2VHW NAI 3.55191
215 3BWN PMP 3.55191
216 1CDO NAD 3.55191
217 4MIG G3F 3.55191
218 5KOX FAD 3.55191
219 5KOX RFP 3.55191
220 2E5V FAD 3.55191
221 5AOV NAP 3.57143
222 4KOA NDP 3.6036
223 2GLX NDP 3.61446
224 1GAD NAD 3.63636
225 1VI2 NAD 3.66667
226 1C3V NDP 3.67347
227 1OC2 NAD 3.73563
228 1OC2 TDX 3.73563
229 5Z20 NAI 3.76812
230 5Z2F NAP 3.77358
231 1A99 PUT 3.77907
232 3O03 NAP 3.78007
233 2YYY NAP 3.79009
234 1Y1P NMN AMP PO4 3.80117
235 2DC1 NAD 3.81356
236 3ICS ADP 3.82514
237 3ICT ADP 3.82514
238 3ABI NAD 3.82514
239 1QMG APX 3.82514
240 2RAB NAD 3.82514
241 6AIN FAD 3.82514
242 5TOW ADN 3.82514
243 5TOW NAI 3.82514
244 4AP3 FAD 3.82514
245 4AP3 NAP 3.82514
246 5EOW FAD 3.82514
247 3FWN ATR 3.82514
248 4MOP 2H5 3.82514
249 2RAB FAD 3.82514
250 5ZZ6 ADP 3.84615
251 5ZZ6 NAD 3.84615
252 3O9Z NAD 3.84615
253 3O9Z AKG 3.84615
254 1RM4 NDP 3.85757
255 3DAG FEG 3.91061
256 6C4N NAP 4.00891
257 2OOR NAD 4.02299
258 1OMO NAD 4.03727
259 5ZI2 NAD 4.05797
260 5ZI2 ADP 4.05797
261 4PTN GXV 4.08163
262 2CDU ADP 4.09836
263 2IXB NAD 4.09836
264 1V8B NAD 4.09836
265 2IXB A2G 4.09836
266 1YQZ FAD 4.09836
267 3WV8 ATP 4.12844
268 2BKA NDP 4.13223
269 1I36 NAP 4.16667
270 4RDH AMP 4.16667
271 4RDI ATP 4.16667
272 4XB2 NDP 4.1791
273 4XB2 HSE 4.1791
274 1RP0 AHZ 4.22535
275 1PZG A3D 4.22961
276 2HJR APR 4.26829
277 4D79 ATP 4.34783
278 2PV7 NAD 4.36242
279 6F3N ADN 4.37158
280 6F3N NAD 4.37158
281 5E4R NAP 4.37158
282 6ER9 FAD 4.37158
283 5GSN NAP 4.37158
284 5GSN FAD 4.37158
285 6ER9 NAP 4.37158
286 6F3M NAD 4.37158
287 4CJX NAP 4.38871
288 3H8V ATP 4.45205
289 4UP3 NDP 4.4586
290 2DBZ NAP 4.49102
291 1LUA NAP 4.52962
292 1HYH NAD 4.53074
293 1KEV NDP 4.5584
294 3NJ4 AFX 4.64481
295 3NJ4 NAD 4.64481
296 3UCL FAD 4.64481
297 3UCL CYH 4.64481
298 3UCL NAP 4.64481
299 4XYM COA 4.64481
300 3IHG FAD 4.64481
301 5BRT CH9 4.64481
302 5BRT FAD 4.64481
303 1P0F NAP 4.64481
304 3E1T FAD 4.64481
305 1A5Z NAD 4.70219
306 3OA2 NAD 4.71698
307 5AHO TLA 4.7619
308 4ZVV GN0 4.81928
309 4ZVV NAD 4.81928
310 3GFB NAD 4.85714
311 5G4L NDP 4.8951
312 5MQ6 NDP 4.91803
313 1X87 NAD 4.91803
314 5YAP 8S0 4.91803
315 5YAP NAI 4.91803
316 5BVA FAD 4.91803
317 3WMX NAD 5.02793
318 4MDH NAD 5.08982
319 5MDH NAD 5.1051
320 5CAE SIN 5.11182
321 5CAE COA 5.11182
322 1GUZ NAD 5.16129
323 1B8U NAD 5.16717
324 6C4M NAP 5.19126
325 1FEC FAD 5.19126
326 2D2I NAP 5.19126
327 1FWV SGA MAG FUC 5.22388
328 3R3V FAH 5.22876
329 2F1K NAP 5.37634
330 5BSH PRO 5.41516
331 2ZJ1 NAD 5.46448
332 2ZJ1 ARJ 5.46448
333 2AQJ FAD 5.46448
334 2AQJ TRP 5.46448
335 3CGD FAD 5.46448
336 3CGD COA 5.46448
337 3CGD NAD 5.46448
338 5NMX NAP 5.46448
339 2B4R AES 5.46448
340 2B4R NAD 5.46448
341 5NMX FAD 5.46448
342 2DFV NAD 5.4755
343 1GV0 NAD 5.48387
344 3SJ7 NDP 5.55556
345 3B8I OXL 5.57491
346 1CF2 NAP 5.63798
347 5NM7 GLY 5.6391
348 1DSS NAD 5.70571
349 5J5Z FAD 5.7377
350 1X14 NAD 5.7377
351 2F5Z FAD 5.7377
352 5KMS NAD 5.7377
353 5TUF FAD 5.7377
354 3S5W FAD 5.7377
355 1REO FAD 5.7377
356 4FWE FAD 5.7377
357 5TUF TDC 5.7377
358 1P31 EPU 5.7377
359 5JCA FAD 5.7377
360 4JK3 NAD 5.79151
361 4J4H NAI 5.79151
362 4J4H 1J1 5.79151
363 5Z75 NAD 5.8104
364 1FK8 NAD 5.83658
365 5OCM NAP 5.84192
366 4YSX FAD 5.85106
367 5T9E NAP 5.90406
368 1BXK NAD 5.91549
369 1WDK NAD 6.01093
370 2FZW NAD 6.01093
371 4K5S FAD 6.01093
372 4AKB GAL 6.01504
373 5A96 GTP 6.0241
374 1J0X NAD 6.0241
375 6GAS FAD 6.0423
376 3QV1 NAD 6.09756
377 2Q0L NAP 6.10932
378 2Q0L FAD 6.10932
379 1VM6 NAD 6.14035
380 3WLE NAD 6.15836
381 4UP4 NDG 6.28415
382 2CDC XYP 6.28415
383 2CDC XYS 6.28415
384 2CDC NAP 6.28415
385 5N6C NAD 6.33333
386 5MIT FAD 6.42202
387 5MIT NAP 6.42202
388 1ZEM NAD 6.48855
389 5XVH NAP 6.53595
390 2HK9 ATR 6.54545
391 2HK9 NAP 6.54545
392 1U3U BNF 6.55738
393 1U3U NAD 6.55738
394 5MBX FAD 6.55738
395 5MBX SP5 6.55738
396 2YVF NAD 6.55738
397 2YVF FAD 6.55738
398 1Y8Q ATP 6.55738
399 4PIV NDP 6.55738
400 4KQW NAP 6.57143
401 1CER NAD 6.64653
402 5D4V SAH 6.71642
403 2B5W NAP 6.72269
404 1JOT GAL A2G 6.76692
405 3LLZ GAL NGA 6.76692
406 4D3F NAP 6.77419
407 1LT3 GAL BGC 6.79612
408 4JDR FAD 6.8306
409 1UZN NAP 6.88259
410 3I6I NDP 6.93642
411 4DPL NAP 6.96379
412 4J56 FAD 7.01754
413 1O94 ADP 7.10383
414 1DJN ADP 7.10383
415 2Z3Y F2N 7.10383
416 2Q46 NAP 7.11462
417 5AYV KPL 7.11974
418 5AYV NAP 7.11974
419 1UXG FUM 7.11974
420 1UXG NAD 7.11974
421 4Z0H NAD 7.18563
422 5NUF NAD 7.22892
423 5NUE NAD 7.22892
424 3GGO ENO 7.32484
425 3GGO NAI 7.32484
426 2XVE FAD 7.37705
427 4BJZ P3A 7.37705
428 4BJZ FAD 7.37705
429 3VPH NAD 7.41935
430 3VPH OXM 7.41935
431 4E5N NAD 7.57576
432 5ODQ FAD 7.6087
433 1BZL GCG 7.65027
434 1BZL FAD 7.65027
435 1RM0 NAI 7.65027
436 1KYQ NAD 7.66423
437 1LLU NAD 7.89474
438 1LDM NAD 7.90274
439 1YY5 FAD 7.9235
440 1RSG FAD 7.9235
441 2EV9 SKM 7.98479
442 2EV9 NAP 7.98479
443 1NYT NAP 8.11808
444 2G5C NAD 8.18505
445 5M67 3D1 8.19672
446 5M67 ADE 8.19672
447 5M67 NAD 8.19672
448 2CVZ NDP 8.3045
449 5OJL TXP 8.38926
450 6BII NAP 8.40841
451 1LVL NAD 8.46994
452 4YT4 FE9 8.46994
453 1JNR FAD 8.46994
454 4ZCC FAD 8.63095
455 1NPD NAD 8.68056
456 2JHF NAD 8.74317
457 2VYN NAD 8.98204
458 1BW9 NAD 8.98876
459 1BXG NAD 8.98876
460 1C1X NAD 9.01408
461 4XFR CIT 9.01639
462 4IN9 SER TRP PHE PRO 9.03614
463 1DRV A3D 9.15751
464 5LD5 NAD 9.21788
465 1O5I NAD 9.23695
466 1O0S NAI 9.28962
467 4J36 1HR 9.56284
468 4J36 FAD 9.56284
469 4XDY NAI 9.83607
470 2AG8 NAP 9.88593
471 5T9F NAP 9.9631
472 5T9F TYR 9.9631
473 5YEC ATP 10.084
474 4EMI NAD 10.1093
475 5N2I NAP 10.3448
476 4CQM NAP 10.3448
477 1WP4 NDP 10.3806
478 1MUU NAD 10.3825
479 1MV8 NAD 10.3825
480 4OOE FOM 10.3825
481 4OOE NDP 10.3825
482 3LAD FAD 10.3825
483 3V1Y NAD 10.3858
484 2NU8 COA 10.4167
485 4EDF UPG 10.6557
486 1YS4 NAP 10.7345
487 1YKF NAP 10.7955
488 1DLJ UGA 10.9453
489 1DLJ NAI 10.9453
490 4BVA NDP 11.0448
491 1YJQ NAP 11.5512
492 1SOW NAD 11.5854
493 5OVK NDP 11.7188
494 5X68 FAD 11.7486
495 2HMT NAI 11.8056
496 2YVJ NAI 11.9266
497 2GCG NDP 12.4242
498 5U5N NAD 12.5448
499 3GMB FAD 12.8415
500 5TTJ FAD 12.8571
501 4L8V NAP 13.0564
502 4XDZ NDP 13.4111
503 4N9I PCG 13.8095
504 1J5P NAD 14.2292
505 5ZYN FAD 14.4809
506 9LDT NAD 14.759
507 9LDB NAD 14.759
508 5EIN NAP 14.8148
509 2PK3 A2R 15.2648
510 4GUS FAD 16.129
511 4GUT FAD 16.129
512 4HSU FAD 16.129
513 5EES NAP 16.1943
514 5L95 AMP 16.25
515 5X20 NAD 16.9872
516 1LSS NAD 18.5714
517 4OM8 NAD 20.712
518 4E13 NAD 21.2014
519 3Q3C NAD 22.7425
520 5ZCO PGV 23.4043
521 1JAY NAP 25.9434
522 2VT3 ATP 26.5116
523 3RNM FAD 34.4828
Pocket No.: 2; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1N1G; Ligand: BCP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1n1g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1N1G; Ligand: BCP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1n1g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1N1G; Ligand: BCP; Similar sites found with APoc: 199
This union binding pocket(no: 5) in the query (biounit: 1n1g.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 5Y02 HBX None
3 1HBK MYR None
4 1UO5 PIH None
5 1XZ3 ICF None
6 3KPE TM3 None
7 4WG0 CHD None
8 5Y02 MXN None
9 1UO4 PIH None
10 5TVI MYR None
11 1TV5 N8E 1.63934
12 4MRP GSH 1.63934
13 2VL8 UDP 1.63934
14 5IM3 DTP 1.63934
15 4Q0A 4OA 1.65563
16 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 1.65563
17 2QES ADE 1.91571
18 5N1P 8GK 1.94175
19 4RW3 TDA 1.98676
20 1ZED PNP 2.18579
21 3GQT UFO 2.18579
22 3LE7 ADE 2.29885
23 1M2Z BOG 2.33463
24 3KU0 ADE 2.39044
25 3R9V DXC 2.44755
26 3HP9 CF1 2.45902
27 5EE7 5MV 2.45902
28 2EFJ 37T 2.45902
29 3VPD CIT 2.4911
30 2OHV NHL 2.65152
31 3AI3 SOE 2.6616
32 1EB9 HBA 2.67176
33 5CX6 CDP 2.73224
34 3NB0 G6P 2.73224
35 1J78 OLA 2.73224
36 2WZF UDP 2.73224
37 1XQP 8HG 2.73438
38 5URY PAM 2.73973
39 5W7B MYR 2.83688
40 1NF8 BOG 2.89855
41 2HPL ASP ASP LEU TYR GLY 3
42 1Q3A NGH 3.0303
43 4DE3 DN8 3.04183
44 4DE2 DN3 3.04183
45 3HW5 AMP 3.06513
46 1TO9 HMH 3.07692
47 6CAM BGC 3.10734
48 6FBA D48 3.15186
49 5NCB JZ3 3.27869
50 2HFK E4H 3.27869
51 4EIL FOL 3.27869
52 6BR9 PGV 3.34262
53 1YYE 196 3.35821
54 1MRH FMC 3.42205
55 2BHW NEX 3.44828
56 3KYQ DPV 3.51759
57 6CGN DA 3.55191
58 4LHM AZZ 3.55191
59 5AZC PGT 3.66667
60 5FQK 6NT 3.71747
61 4URX FK1 3.78378
62 1J1R ADE 3.83142
63 2HZL PYR 3.83562
64 3TDC 0EU 3.93701
65 1NU4 MLA 4.12371
66 2UW1 GVM 4.14201
67 6A0S NDP 4.21687
68 1JGS SAL 4.34783
69 1XVB 3BR 4.37158
70 5CQG 55C 4.37158
71 1GJW GLC 4.37158
72 3G58 988 4.37158
73 3I51 45C 4.44444
74 3AQT RCO 4.4898
75 3CYI ATP 4.54545
76 3X01 AMP 4.64481
77 6BMS POV 4.69208
78 6BR8 6OU 4.7619
79 6BR8 PGV 4.7619
80 5W99 A1V 4.7619
81 5M36 9SZ 4.80349
82 1KZL CRM 4.80769
83 4F06 PHB 4.91803
84 5ZZB LAB 4.91803
85 4B1X LAB 4.91803
86 1ZPD CIT 4.91803
87 5YEE LAB 4.91803
88 5WP4 PC 4.91803
89 6BTN E8M 4.9505
90 5X80 SAL 5
91 1SBR VIB 5
92 3TL1 JRO 5.03145
93 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
94 2GBB CIT 5.12821
95 3GXO MQA 5.14905
96 4IA6 EIC 5.19126
97 1ID0 ANP 5.26316
98 5NC9 8SZ 5.26316
99 1MT1 AG2 5.30973
100 1QCI ADE 5.34351
101 1YP1 LYS ASN LEU 5.44554
102 6G5Q EMZ 5.46448
103 3F8C HT1 5.55556
104 5M37 9SZ 5.65217
105 3NJQ NJQ 5.69948
106 4UYG 73B 5.73248
107 5OLK DTP 5.7377
108 3IX9 MTX 5.78947
109 5N17 8FK 5.7971
110 4V3I ASP LEU THR ARG PRO 5.83658
111 4YSX E23 5.85106
112 4LH7 NMN 5.88235
113 4AIG FLX 5.97015
114 3B9Z CO2 6.01093
115 3W5N RAM 6.01093
116 5CC2 CKA 6.03774
117 3DFR MTX 6.17284
118 4A7W GTP 6.25
119 3O01 DXC 6.49351
120 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.52174
121 5XVH TLA 6.53595
122 3ZH4 FLC 6.55738
123 5CHR 4NC 6.56934
124 5UGW GSH 6.85714
125 5W8X UDP 7.06806
126 5C9J DAO 7.07071
127 2OZ5 7XY 7.09459
128 1M2T ADE 7.22433
129 3KP6 SAL 7.28477
130 3W54 RNB 7.29483
131 1RL4 BL5 7.44681
132 4MGA 27L 7.45098
133 5Z3I ADE 7.54717
134 4TV1 36M 7.56972
135 3UUA 0CZ 7.56972
136 5OSW DIU 7.65027
137 2WPW ACO 7.66962
138 2WPX ACO 7.66962
139 4CCW VKC 7.69231
140 1MID LAP 7.69231
141 2Z9I GLY ALA THR VAL 7.71605
142 4NSQ COA 7.89474
143 1T0S BML 8.13953
144 6CB2 OLC 8.19113
145 4WGF HX2 8.29268
146 1VMK GUN 8.30325
147 5J32 IPM 8.46994
148 3GUZ PAF 8.52273
149 3N7S 3N7 8.69565
150 1DTL BEP 8.69565
151 5N8V KZZ 8.69565
152 5JP0 BGC 8.74317
153 2O1V ADP 8.74317
154 5LX9 OLB 8.80282
155 1BW9 PPY 8.98876
156 2WOR 2AN 9
157 1C1X HFA 9.01408
158 3HYW DCQ 9.01639
159 4URS C2E 9.04255
160 5ZZA LAB 9.09091
161 4I90 CHT 9.24092
162 5X3R 7Y3 9.26829
163 3B6C SDN 9.40171
164 2BCG GER 9.56284
165 6GMN F4E 9.61539
166 3KO0 TFP 9.90099
167 4URG C2E 10.1796
168 3ZQE DXC 10.4918
169 4F4S EFO 10.5263
170 2HHP FLC 10.6557
171 1R6N 434 10.9005
172 3ETG GWD 10.929
173 3RLF MAL 11.4754
174 5C1M OLC 12.8
175 5C1M CLR 12.8
176 5C1M 4VO 12.8
177 4RJD TFP 13.6364
178 4LWU 20U 14.1176
179 3HY2 ATP 14.5455
180 2CFC KPC 14.8
181 1LNX URI 14.8148
182 4V1F BQ1 15.1163
183 2VWA PTY 15.8416
184 1ZEI CRS 16.9811
185 2YVE MBT 17.8378
186 2CB8 MYA 18.3908
187 4RLT FSE 20.2532
188 4OGQ 7PH 20.5882
189 4OGQ UMQ 20.5882
190 5V4R MGT 20.9877
191 4IBF 1D5 21.7054
192 5LWY OLB 23.3645
193 5Z84 CHD 23.4043
194 5W97 CHD 23.4043
195 5ZCO CHD 23.4043
196 5MWE TCE 25.7143
197 2Y69 CHD 27.027
198 4ZGM 32M 29.0323
199 4B1W LAB 43.75
Pocket No.: 6; Query (leader) PDB : 1N1G; Ligand: BCP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1n1g.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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