Receptor
PDB id Resolution Class Description Source Keywords
4N7J 1.67 Å EC: 3.4.22.59 TAILORING SMALL MOLECULES FOR AN ALLOSTERIC SITE ON PROCASPA HOMO SAPIENS PROCASPSE-6 CASPASE-6 ZYMOGEN ALLOSTERIC STRUCTURE BASED DESIGN CASPASE CYSTEINE PROTEASE HYDROLASE-HYDROLASE INHCOMPLEX
Ref.: TAILORING SMALL MOLECULES FOR AN ALLOSTERIC SITE ON PROCASPASE-6. CHEMMEDCHEM V. 9 73 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 B:403;
B:402;
B:404;
B:405;
A:401;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
2GQ B:401;
Valid;
none;
submit data
214.263 C13 H14 N2 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HVA 2.07 Å EC: 3.4.22.59 MECHANISTIC AND STRUCTURAL UNDERSTANDING OF UNCOMPETITIVE IN OF CASPASE-6 HOMO SAPIENS CASPASE-6 ACTIVE VEID UNCOMPETITIVE INHIBITION TERNARY CCASPASE PROTEASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: MECHANISTIC AND STRUCTURAL UNDERSTANDING OF UNCOMPE INHIBITORS OF CASPASE-6. PLOS ONE V. 7 50864 2012
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N6G - 2GQ C13 H14 N2 O c1ccc2c(c1....
2 4NBL Kd = 0.47 uM 2J6 C16 H13 F N4 O c1cc(c(nc1....
3 3S70 - ACE VAL GLU ILE ASA n/a n/a
4 4N7M Kd = 3.4 uM 2GQ C13 H14 N2 O c1ccc2c(c1....
5 4NBN Kd = 44 uM 2J7 C18 H18 N4 O2 c1ccc(c(c1....
6 4HVA Kd = 1.3 uM 4HV C23 H22 N2 O5 COc1ccc(cc....
7 4N7J - 2GQ C13 H14 N2 O c1ccc2c(c1....
8 4N5D Kd = 607 uM 2FQ C9 H10 N4 O Cc1ncc2c(n....
9 4NBK Kd = 136 uM 2J5 C13 H14 N2 O Cc1cccnc1N....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N6G - 2GQ C13 H14 N2 O c1ccc2c(c1....
2 4NBL Kd = 0.47 uM 2J6 C16 H13 F N4 O c1cc(c(nc1....
3 3S70 - ACE VAL GLU ILE ASA n/a n/a
4 4N7M Kd = 3.4 uM 2GQ C13 H14 N2 O c1ccc2c(c1....
5 4NBN Kd = 44 uM 2J7 C18 H18 N4 O2 c1ccc(c(c1....
6 4HVA Kd = 1.3 uM 4HV C23 H22 N2 O5 COc1ccc(cc....
7 4N7J - 2GQ C13 H14 N2 O c1ccc2c(c1....
8 4N5D Kd = 607 uM 2FQ C9 H10 N4 O Cc1ncc2c(n....
9 4NBK Kd = 136 uM 2J5 C13 H14 N2 O Cc1cccnc1N....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6WI4 - LYS LEU PHE SER PHE GLY GLY n/a n/a
2 5IAR - ACE ASP GLU VAL ASP 0QE DTT n/a n/a
3 4EHF - ACE ASP GLU VAL ASP 0QE n/a n/a
4 4QUL - ACE ASP GLU VAL ASP 0QE n/a n/a
5 5IBR - ACE ASP GLU VAL ASP 0QE n/a n/a
6 4QUB - ACE ASP GLU VAL ASP 0QE n/a n/a
7 4QUA - ACE ASP GLU VAL ASP 0QE n/a n/a
8 4QTX - ACE ASP GLU VAL ASP 0QE n/a n/a
9 5IAS - ACE ASP GLU VAL ASP 0QE n/a n/a
10 4QUJ - ACE ASP GLU VAL ASP 0QE n/a n/a
11 4QU0 - ACE ASP GLU VAL ASP 0QE n/a n/a
12 4EHA - ACE ASP GLU VAL ASP 0QE n/a n/a
13 4QUI - ACE ASP GLU VAL ASP 0QE n/a n/a
14 5IAE - ACE ASP GLU VAL ASP 0QE n/a n/a
15 5I9T - ACE ASP GLU VAL ASP 0QE n/a n/a
16 5IAB - ACE ASP GLU VAL ASP 0QE n/a n/a
17 4QUD - ACE ASP GLU VAL ASP 0QE n/a n/a
18 4QU8 - ACE ASP GLU VAL ASP 0QE n/a n/a
19 4QU5 - ACE ASP GLU VAL ASP 0QE n/a n/a
20 5IAG - ASP ASP ASP MET n/a n/a
21 5IAK - ACE ASP GLU VAL ASP 0QE n/a n/a
22 4EHL - ACE ASP GLU VAL ASP 0QE n/a n/a
23 4QUE - ACE ASP GLU VAL ASP 0QE n/a n/a
24 4EHH - ACE ASP GLU VAL ASP 0QE n/a n/a
25 4EHK - ACE ASP GLU VAL ASP 0QE n/a n/a
26 5I9B - ACE ASP GLU VAL ASP 0QE n/a n/a
27 4EHD - ACE ASP GLU VAL ASP 0QE n/a n/a
28 4EHN - ACE ASP GLU VAL ASP 0QE n/a n/a
29 5IBP - ACE ASP GLU VAL ASP 0QE n/a n/a
30 4QUH - ACE ASP GLU VAL ASP 0QE n/a n/a
31 5IAJ - ACE ASP GLU VAL ASP 0QE n/a n/a
32 4QU9 - ACE ASP GLU VAL ASP 0QE n/a n/a
33 4QUG - ACE ASP GLU VAL ASP 0QE n/a n/a
34 5IBC - ACE ASP GLU VAL ASP 0QE n/a n/a
35 4N6G - 2GQ C13 H14 N2 O c1ccc2c(c1....
36 4NBL Kd = 0.47 uM 2J6 C16 H13 F N4 O c1cc(c(nc1....
37 3S70 - ACE VAL GLU ILE ASA n/a n/a
38 4N7M Kd = 3.4 uM 2GQ C13 H14 N2 O c1ccc2c(c1....
39 4NBN Kd = 44 uM 2J7 C18 H18 N4 O2 c1ccc(c(c1....
40 4HVA Kd = 1.3 uM 4HV C23 H22 N2 O5 COc1ccc(cc....
41 4N7J - 2GQ C13 H14 N2 O c1ccc2c(c1....
42 4N5D Kd = 607 uM 2FQ C9 H10 N4 O Cc1ncc2c(n....
43 4NBK Kd = 136 uM 2J5 C13 H14 N2 O Cc1cccnc1N....
44 3PD1 - ACE ASP GLU VAL ASP 0QE n/a n/a
45 2J33 - ACE ASP GLU VAL ASP 0QE n/a n/a
46 3PD0 - ACE ASP GLU VAL ASP 0QE n/a n/a
47 2J30 - ACE ASP GLU VAL ASP 0QE n/a n/a
48 3ITN - ACE ASP GLU VAL ASP 0QE n/a n/a
49 4QTY - ACE ASP GLU VAL ASP 0QE n/a n/a
50 2J32 - ACE ASP GLU VAL ASP 0QE n/a n/a
51 3PCX - ACE ASP GLU VAL ASP 0QE n/a n/a
52 3DEH ic50 = 149 nM RXA C9 H5 N O3 c1ccc2c(c1....
53 2J31 - ACE ASP GLU VAL ASP 0QE n/a n/a
54 3DEK ic50 = 27 nM RXD C21 H18 F N3 O6 c1cc(cc(c1....
55 5JFT - ACE ASP GLU VAL ASP 0QE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2GQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2GQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2GQ; Similar ligands found: 1006
No: Ligand Similarity coefficient
1 F40 0.9910
2 1V3 0.9706
3 7L4 0.9650
4 DXK 0.9638
5 5NN 0.9618
6 P4L 0.9594
7 LL1 0.9563
8 EV2 0.9550
9 1V4 0.9545
10 A73 0.9538
11 DDC 0.9530
12 PIQ 0.9522
13 YE7 0.9520
14 363 0.9515
15 KF5 0.9509
16 20D 0.9508
17 DFL 0.9495
18 3D8 0.9494
19 2JX 0.9488
20 0UL 0.9484
21 JCZ 0.9479
22 5F8 0.9473
23 5E5 0.9472
24 IOP 0.9468
25 TRP 0.9462
26 WLH 0.9452
27 3GX 0.9446
28 RVE 0.9444
29 NYJ 0.9444
30 25F 0.9438
31 RGK 0.9431
32 C4E 0.9430
33 CX6 0.9422
34 4AU 0.9420
35 NKI 0.9419
36 9CE 0.9415
37 5B2 0.9414
38 VM1 0.9413
39 EWG 0.9407
40 Q0K 0.9404
41 AVA 0.9403
42 5F5 0.9398
43 6DQ 0.9398
44 78Y 0.9395
45 LTN 0.9386
46 M5H 0.9381
47 0OK 0.9380
48 DRG 0.9376
49 IQZ 0.9374
50 9UL 0.9371
51 1V1 0.9370
52 AMR 0.9368
53 BA5 0.9362
54 LEL 0.9361
55 5V7 0.9357
56 5FL 0.9355
57 0FR 0.9350
58 THA 0.9347
59 22L 0.9344
60 0DF 0.9343
61 M3W 0.9343
62 5P3 0.9341
63 II4 0.9335
64 ST2 0.9331
65 C0W 0.9328
66 A6W 0.9328
67 SZ5 0.9325
68 BQ2 0.9312
69 FT6 0.9310
70 3Y7 0.9308
71 3IL 0.9307
72 RKV 0.9301
73 LR2 0.9301
74 0LO 0.9300
75 RSV 0.9299
76 9BF 0.9296
77 W8L 0.9292
78 HA6 0.9291
79 HH6 0.9290
80 D80 0.9288
81 4FF 0.9287
82 DNA 0.9286
83 FCW 0.9285
84 1FE 0.9281
85 QMS 0.9280
86 HBO 0.9279
87 KYA 0.9278
88 N1E 0.9278
89 CDJ 0.9273
90 ZSP 0.9272
91 H2W 0.9270
92 4I8 0.9267
93 344 0.9266
94 CKA 0.9266
95 XCG 0.9263
96 LWS 0.9263
97 3VX 0.9261
98 9JT 0.9261
99 SYE 0.9260
100 3AK 0.9260
101 G6P 0.9258
102 TCR 0.9256
103 BBY 0.9254
104 2FX 0.9249
105 57D 0.9247
106 NIF 0.9246
107 TMG 0.9246
108 GO2 0.9240
109 AGI 0.9240
110 2P3 0.9235
111 KP2 0.9233
112 0SY 0.9229
113 D87 0.9227
114 9F8 0.9226
115 VUP 0.9226
116 2D2 0.9225
117 JTA 0.9224
118 EUH 0.9223
119 X2M 0.9222
120 LP8 0.9221
121 CX4 0.9219
122 CUH 0.9219
123 6FB 0.9217
124 8NX 0.9216
125 3SU 0.9216
126 I59 0.9215
127 54X 0.9214
128 S60 0.9214
129 ZME 0.9210
130 KWB 0.9210
131 3WL 0.9210
132 BIK 0.9209
133 5VU 0.9207
134 GNV 0.9207
135 6QT 0.9206
136 7EH 0.9204
137 A5H 0.9203
138 BGU 0.9202
139 ANF 0.9202
140 JP2 0.9202
141 IOS 0.9202
142 MD6 0.9200
143 78U 0.9199
144 YO5 0.9199
145 CC5 0.9194
146 5TZ 0.9194
147 H5B 0.9193
148 30G 0.9192
149 I2E 0.9191
150 FYR 0.9191
151 PRL 0.9190
152 MXD 0.9189
153 22T 0.9187
154 9FH 0.9187
155 1Q4 0.9185
156 1QP 0.9184
157 2UZ 0.9182
158 7M2 0.9180
159 OTA 0.9177
160 JMG 0.9177
161 NRA 0.9174
162 657 0.9171
163 833 0.9170
164 0JD 0.9170
165 Z21 0.9169
166 L07 0.9168
167 GI1 0.9166
168 49P 0.9166
169 PLP 0.9166
170 AA 0.9165
171 OCZ 0.9164
172 EQA 0.9164
173 52F 0.9164
174 GB4 0.9161
175 2JK 0.9160
176 BZJ 0.9160
177 OPA 0.9159
178 DTR 0.9159
179 B61 0.9158
180 C09 0.9157
181 AVX 0.9157
182 5WN 0.9156
183 39Z 0.9156
184 2K8 0.9154
185 N91 0.9153
186 4Z9 0.9152
187 DFV 0.9151
188 3JC 0.9149
189 2QU 0.9148
190 M78 0.9148
191 PXP 0.9147
192 3F4 0.9146
193 AXX 0.9146
194 NAL 0.9145
195 LDR 0.9143
196 QUB 0.9143
197 CHQ 0.9142
198 U7E 0.9140
199 2UD 0.9137
200 H7S 0.9137
201 TXW 0.9135
202 9AP 0.9135
203 IQ5 0.9135
204 KYN 0.9134
205 4KL 0.9133
206 NIY 0.9133
207 5S9 0.9132
208 Y3L 0.9132
209 8HH 0.9132
210 H4B 0.9131
211 YE6 0.9131
212 E1K 0.9131
213 VT3 0.9128
214 ZHA 0.9128
215 6J5 0.9126
216 LIG 0.9126
217 BP7 0.9125
218 G14 0.9122
219 9OF 0.9120
220 L1T 0.9119
221 96Z 0.9119
222 QIV 0.9119
223 L5D 0.9117
224 7ZL 0.9117
225 HHS 0.9115
226 96R 0.9115
227 3DE 0.9114
228 XI7 0.9114
229 AP6 0.9114
230 MUR 0.9113
231 6C8 0.9113
232 JR2 0.9111
233 NK5 0.9111
234 FER 0.9111
235 08C 0.9111
236 F5C 0.9108
237 5OO 0.9106
238 PMP 0.9105
239 PLP PMP 0.9105
240 E9L 0.9104
241 IDZ 0.9104
242 DX2 0.9104
243 27F 0.9101
244 DK1 0.9100
245 NAG 0.9100
246 B56 0.9100
247 X48 0.9098
248 FCD 0.9097
249 GI3 0.9097
250 5WT 0.9096
251 ZEA 0.9096
252 ZRK 0.9096
253 272 0.9096
254 M3Q 0.9095
255 SKF 0.9095
256 8D6 0.9094
257 X0U 0.9093
258 8G6 0.9090
259 AUV 0.9089
260 ZIQ 0.9088
261 5GT 0.9088
262 47V 0.9088
263 WV7 0.9087
264 COL 0.9087
265 FQX 0.9085
266 ZZA 0.9085
267 BG6 0.9083
268 3WN 0.9082
269 3WO 0.9082
270 ITE 0.9082
271 61M 0.9080
272 1QV 0.9080
273 JBZ 0.9078
274 3VQ 0.9078
275 91F 0.9078
276 ANC 0.9077
277 68A 0.9077
278 PUE 0.9076
279 H75 0.9076
280 1DR 0.9076
281 V2Z 0.9075
282 4R1 0.9075
283 P83 0.9074
284 A7H 0.9074
285 6KT 0.9074
286 9KZ 0.9072
287 SLS 0.9072
288 BHS 0.9070
289 4CN 0.9070
290 Q4G 0.9069
291 8MO 0.9068
292 IQQ 0.9066
293 DHC 0.9066
294 NBG 0.9064
295 NEO 0.9064
296 4AB 0.9061
297 K48 0.9061
298 67Y 0.9059
299 4NR 0.9059
300 6MW 0.9059
301 HBI 0.9057
302 UAY 0.9057
303 K7H 0.9056
304 3VS 0.9056
305 E1T 0.9053
306 BIO 0.9053
307 6QF 0.9052
308 QR2 0.9051
309 3J8 0.9049
310 OAI 0.9048
311 3R4 0.9047
312 1A7 0.9046
313 5TY 0.9045
314 B21 0.9045
315 NAR 0.9045
316 CFA 0.9044
317 H2B 0.9043
318 7O4 0.9043
319 OX2 0.9042
320 1AJ 0.9041
321 A9B 0.9041
322 ZIP 0.9040
323 S0D 0.9040
324 4BY 0.9039
325 6XC 0.9038
326 4G2 0.9037
327 RDV 0.9036
328 878 0.9036
329 FDR 0.9036
330 XFE 0.9035
331 W81 0.9033
332 CR1 0.9032
333 LI7 0.9032
334 Q5M 0.9031
335 9ZE 0.9031
336 4GU 0.9027
337 FF2 0.9027
338 3D1 0.9027
339 PEY 0.9025
340 2HC 0.9025
341 7I2 0.9024
342 4BL 0.9023
343 92P 0.9023
344 6TJ 0.9022
345 1UZ 0.9022
346 CTE 0.9021
347 L2K 0.9021
348 15N 0.9021
349 ZYQ 0.9020
350 VC3 0.9019
351 6BK 0.9019
352 6FG 0.9018
353 MBP 0.9017
354 12T 0.9017
355 5C1 0.9017
356 1HN 0.9015
357 2QV 0.9014
358 CH9 0.9014
359 7M5 0.9012
360 54E 0.9012
361 P9I 0.9011
362 6JO 0.9010
363 9GP 0.9010
364 CBE 0.9010
365 S1D 0.9007
366 6C5 0.9007
367 ZRL 0.9004
368 JSX 0.9002
369 7MX 0.9002
370 4Z1 0.9001
371 JY2 0.9000
372 VBC 0.8999
373 8CC 0.8999
374 BZE 0.8995
375 1HP 0.8995
376 GZV 0.8994
377 CSN 0.8994
378 5TO 0.8994
379 AKD 0.8992
380 LJ3 0.8989
381 KMY 0.8988
382 LZ5 0.8988
383 P0P 0.8986
384 AJG 0.8986
385 DNQ 0.8985
386 5SJ 0.8985
387 C2Y 0.8984
388 BPU 0.8984
389 2WU 0.8984
390 EES 0.8984
391 1X8 0.8982
392 CKU 0.8979
393 A63 0.8979
394 S0E 0.8978
395 LR8 0.8978
396 1VK 0.8977
397 PZ8 0.8977
398 R4E 0.8976
399 GNJ 0.8976
400 X04 0.8974
401 1FL 0.8974
402 3WK 0.8970
403 EVO 0.8970
404 2J1 0.8968
405 HA5 0.8968
406 GJP 0.8966
407 M6Z 0.8965
408 ODK 0.8964
409 V1T 0.8963
410 8NB 0.8963
411 EUE 0.8963
412 4ZF 0.8963
413 M02 0.8962
414 5ER 0.8962
415 CUE 0.8961
416 YZ9 0.8960
417 KTW 0.8960
418 JXT 0.8958
419 NDG 0.8957
420 78P 0.8956
421 IAC 0.8954
422 GLP 0.8951
423 1F1 0.8951
424 8XL 0.8949
425 7FU 0.8949
426 DDU 0.8949
427 HNT 0.8949
428 AJD 0.8947
429 GHM 0.8947
430 5AD 0.8947
431 S98 0.8946
432 27M 0.8944
433 LFQ 0.8944
434 774 0.8944
435 0K7 0.8942
436 KLK 0.8941
437 N2M 0.8941
438 KLV 0.8941
439 8W9 0.8940
440 X0T 0.8940
441 OQC 0.8940
442 IQW 0.8939
443 SU9 0.8939
444 KLE 0.8939
445 8HC 0.8938
446 XG1 0.8938
447 PH2 0.8937
448 M4E 0.8937
449 3ZB 0.8937
450 K25 0.8937
451 P93 0.8937
452 5OF 0.8936
453 NPL 0.8936
454 ALE 0.8936
455 MMJ 0.8935
456 3L1 0.8935
457 5GV 0.8935
458 537 0.8934
459 DX7 0.8933
460 THM 0.8933
461 0FK 0.8933
462 6C4 0.8933
463 M3F 0.8932
464 CU8 0.8931
465 AN3 0.8930
466 ARP 0.8929
467 5OR 0.8927
468 4RU 0.8926
469 4GP 0.8926
470 N0Z 0.8926
471 5E1 0.8925
472 LU2 0.8925
473 M9N 0.8924
474 K3Q 0.8923
475 5WS 0.8923
476 OSB 0.8923
477 EST 0.8922
478 LUM 0.8921
479 5F1 0.8921
480 D1G 0.8919
481 ARJ 0.8917
482 MUX 0.8915
483 MFR 0.8915
484 MAJ 0.8915
485 5XL 0.8915
486 GDL 0.8914
487 DBQ 0.8913
488 6J9 0.8913
489 QME 0.8913
490 MIL 0.8913
491 BPY 0.8913
492 5WM 0.8912
493 JFS 0.8911
494 H35 0.8911
495 BZQ 0.8911
496 4MB 0.8910
497 BK9 0.8910
498 6ZW 0.8909
499 2LY 0.8909
500 HRD 0.8909
501 JRO 0.8908
502 2LW 0.8907
503 SQP 0.8907
504 LFN 0.8906
505 DAH 0.8906
506 NOC 0.8906
507 6DP 0.8904
508 J38 0.8904
509 BJ4 0.8904
510 GC2 0.8903
511 SSY 0.8902
512 8Y7 0.8901
513 96U 0.8901
514 STT 0.8901
515 APS 0.8900
516 PJW 0.8900
517 6C9 0.8900
518 UNJ 0.8899
519 0OY 0.8897
520 1ER 0.8896
521 GJK 0.8896
522 60L 0.8894
523 68B 0.8894
524 QBP 0.8894
525 NLA 0.8893
526 FNT 0.8893
527 WS7 0.8892
528 9TF 0.8890
529 6VD 0.8890
530 2PV 0.8890
531 O9T 0.8889
532 XYP XYP 0.8888
533 DUR 0.8887
534 JAH 0.8887
535 MJW 0.8887
536 AJ1 0.8886
537 HHR 0.8885
538 549 0.8884
539 JF8 0.8883
540 M1Z 0.8883
541 O9Q 0.8883
542 FWD 0.8882
543 92O 0.8882
544 HRM 0.8882
545 1BW 0.8882
546 BY5 0.8880
547 C82 0.8879
548 CK2 0.8879
549 B2E 0.8878
550 FY8 0.8878
551 XDL XYP 0.8877
552 M6P 0.8877
553 5VJ 0.8875
554 U19 0.8874
555 FHV 0.8874
556 A6P 0.8874
557 5I5 0.8873
558 ESI 0.8873
559 SYR 0.8872
560 MEX 0.8872
561 EQW 0.8872
562 B23 0.8871
563 4NP 0.8870
564 3C5 0.8869
565 5WK 0.8869
566 428 0.8869
567 B4L 0.8869
568 KMP 0.8869
569 8M5 0.8869
570 CC6 0.8868
571 SGW 0.8868
572 4L2 0.8867
573 W23 0.8867
574 P7Y 0.8866
575 F2W 0.8866
576 TU0 0.8863
577 RD4 0.8863
578 HJ7 0.8863
579 6JM 0.8863
580 28S 0.8862
581 2O6 0.8862
582 1EL 0.8861
583 EQU 0.8861
584 27B 0.8860
585 D9Z 0.8860
586 2PK 0.8860
587 JWS 0.8859
588 KOM 0.8856
589 D64 0.8856
590 TB8 0.8855
591 GT1 0.8854
592 EY2 0.8852
593 P9E 0.8852
594 SG2 0.8852
595 D1Y 0.8849
596 OA1 0.8849
597 GNM 0.8849
598 TSS 0.8848
599 1XS 0.8847
600 6HP 0.8846
601 GXD 0.8846
602 5E2 0.8845
603 8RK 0.8844
604 JHY 0.8844
605 F18 0.8842
606 N7I 0.8840
607 WUB 0.8840
608 MZM 0.8840
609 CNI 0.8839
610 ALR 0.8839
611 0HN 0.8839
612 GF4 0.8838
613 DNC 0.8838
614 UN3 0.8835
615 1A5 0.8834
616 G1P 0.8834
617 OKM 0.8833
618 FZM 0.8831
619 M4N 0.8830
620 JYT 0.8829
621 GNY 0.8828
622 0NX 0.8828
623 2LT 0.8828
624 JF2 0.8827
625 GZ2 0.8827
626 JB8 0.8826
627 SNJ 0.8826
628 L3L 0.8826
629 PQM 0.8826
630 MFZ 0.8825
631 F6P 0.8823
632 JAW 0.8823
633 O9Z 0.8822
634 SXX 0.8822
635 AC2 0.8820
636 2AN 0.8820
637 3C3 0.8818
638 NQ7 0.8818
639 89J 0.8817
640 EF2 0.8817
641 2LX 0.8816
642 GHQ 0.8816
643 ONR 0.8816
644 TWO 0.8816
645 HC4 0.8816
646 NPA 0.8815
647 TJM 0.8814
648 0ON 0.8814
649 P80 0.8814
650 5ZM 0.8814
651 7G0 0.8814
652 M6D 0.8813
653 14W 0.8813
654 8WZ 0.8812
655 1SF 0.8811
656 ET0 0.8811
657 IPD 0.8811
658 795 0.8810
659 C53 0.8810
660 28A 0.8809
661 SRO 0.8807
662 0H5 0.8807
663 5H6 0.8806
664 JF5 0.8805
665 0W1 0.8804
666 JDN 0.8803
667 MKN 0.8803
668 FTV 0.8802
669 ZYV 0.8802
670 6NT 0.8802
671 S62 0.8802
672 CWE 0.8801
673 NPX 0.8800
674 56N 0.8800
675 XYP XIF 0.8800
676 AY4 0.8800
677 XIF XYP 0.8800
678 CWD 0.8799
679 5VL 0.8799
680 9XZ 0.8797
681 NFZ 0.8797
682 TYR 0.8797
683 M3E 0.8796
684 JG8 0.8796
685 TT4 0.8796
686 RA7 0.8794
687 5DE 0.8794
688 0HO 0.8793
689 S7D 0.8793
690 0F9 0.8793
691 Q8D 0.8793
692 6NI 0.8790
693 SJK 0.8790
694 AQN 0.8790
695 4BX 0.8789
696 SNY 0.8788
697 B86 0.8788
698 E3X 0.8788
699 X0W 0.8787
700 YIP 0.8787
701 3QV 0.8786
702 NPS 0.8785
703 4MP 0.8784
704 GVY 0.8783
705 CIY 0.8783
706 BVS 0.8782
707 ZO9 0.8782
708 8WO 0.8782
709 NGA 0.8780
710 IDD 0.8780
711 KDV 0.8779
712 BGP 0.8779
713 9NB 0.8779
714 UN9 0.8778
715 K44 0.8777
716 K97 0.8776
717 XM5 0.8776
718 2ZM 0.8774
719 Q8G 0.8772
720 A7Q 0.8772
721 3NY 0.8772
722 K82 0.8771
723 GO8 0.8770
724 JF1 0.8769
725 AOY 0.8769
726 5RP 0.8768
727 JXK 0.8768
728 D3G 0.8767
729 GEN 0.8767
730 34L 0.8767
731 GNR 0.8766
732 EN1 0.8766
733 5M2 0.8765
734 XYS XYP 0.8765
735 F1X 0.8764
736 ASE 0.8763
737 0SX 0.8762
738 AH6 0.8762
739 KLS 0.8761
740 MOK 0.8761
741 OLU 0.8761
742 PTS 0.8760
743 CZ0 0.8760
744 DBE 0.8759
745 BWD 0.8757
746 DPT 0.8756
747 J6W 0.8755
748 4TU 0.8754
749 2QC 0.8753
750 J3Z 0.8752
751 4FE 0.8751
752 9FL 0.8751
753 CXH 0.8751
754 JGB 0.8750
755 Q9T 0.8748
756 7N8 0.8748
757 3DT 0.8748
758 EXD 0.8748
759 5WW 0.8748
760 3D3 0.8747
761 RB2 0.8746
762 5DN 0.8745
763 TXQ 0.8743
764 K68 0.8743
765 L03 0.8742
766 PNP 0.8742
767 ESX 0.8742
768 QUE 0.8742
769 7MW 0.8740
770 NQ8 0.8740
771 9R5 0.8740
772 VFM 0.8740
773 WA2 0.8739
774 BRY 0.8739
775 XYP XDN 0.8738
776 SQ4 0.8738
777 4F8 0.8738
778 0XT 0.8738
779 XDN XYP 0.8738
780 NDD 0.8738
781 6Q3 0.8737
782 NBV 0.8736
783 3A9 0.8736
784 A1Y 0.8736
785 2FQ 0.8736
786 4V2 0.8736
787 6DE 0.8736
788 761 0.8734
789 JO5 0.8734
790 U13 0.8733
791 VGS 0.8733
792 AX3 0.8732
793 4UM 0.8731
794 CK1 0.8731
795 5NI 0.8731
796 PE2 0.8730
797 ERZ 0.8730
798 FMQ 0.8730
799 NTF 0.8729
800 RUG 0.8729
801 S3C 0.8729
802 5E4 0.8727
803 4ME 0.8726
804 9CA 0.8725
805 2HU 0.8723
806 Z5P 0.8722
807 TIA 0.8722
808 9FE 0.8720
809 FSE 0.8720
810 1IT 0.8719
811 G12 0.8719
812 ABI 0.8718
813 SWX 0.8718
814 3XH 0.8718
815 0DN 0.8717
816 6VW 0.8717
817 DHT 0.8717
818 AH9 0.8717
819 AZY 0.8717
820 EAE 0.8717
821 YEX 0.8715
822 X11 0.8714
823 NFK 0.8714
824 18E 0.8713
825 ADN 0.8713
826 ALH 0.8711
827 AD3 0.8711
828 4NS 0.8709
829 WVV 0.8708
830 LZB 0.8708
831 3VW 0.8706
832 4HB 0.8706
833 ZEC 0.8703
834 DNF 0.8703
835 1YL 0.8702
836 7WR 0.8702
837 IMH 0.8702
838 ZYR 0.8700
839 DCZ 0.8700
840 FT2 0.8700
841 19E 0.8700
842 6P3 0.8700
843 108 0.8699
844 1EB 0.8699
845 S46 0.8698
846 J1K 0.8698
847 AUY 0.8697
848 E7S 0.8696
849 I4D 0.8695
850 XYS XYS 0.8694
851 4Z3 0.8692
852 7G2 0.8692
853 D25 0.8691
854 EV3 0.8690
855 3UG 0.8690
856 L22 0.8690
857 TID 0.8688
858 N2I 0.8687
859 HQJ 0.8686
860 ENO 0.8686
861 AZM 0.8686
862 ESP 0.8685
863 BZ2 0.8685
864 MCY 0.8684
865 STV 0.8684
866 ELH 0.8683
867 RCV 0.8682
868 26C 0.8680
869 0XR 0.8680
870 0J5 0.8679
871 CMG 0.8679
872 6TZ 0.8678
873 3WJ 0.8678
874 HWH 0.8677
875 F4K 0.8676
876 TCC 0.8675
877 LIP 0.8674
878 492 0.8673
879 JVD 0.8672
880 YTX 0.8672
881 P81 0.8672
882 8V8 0.8670
883 28N 0.8670
884 LRW 0.8670
885 1OT 0.8669
886 5TT 0.8669
887 7VF 0.8668
888 R20 0.8668
889 TES 0.8667
890 EI1 0.8666
891 8ZE 0.8664
892 ROI 0.8663
893 6ME 0.8663
894 MPK 0.8661
895 0GA 0.8661
896 3XR 0.8660
897 6PB 0.8660
898 6L6 0.8660
899 97T 0.8658
900 49O 0.8657
901 8SK 0.8656
902 OW7 0.8655
903 E9S 0.8655
904 5FD 0.8654
905 397 0.8653
906 JY4 0.8652
907 HLD 0.8652
908 B52 0.8652
909 JA5 0.8651
910 ZEZ 0.8651
911 PRZ 0.8651
912 MS0 0.8650
913 6SD 0.8649
914 JTF 0.8648
915 36Z 0.8648
916 EVF 0.8647
917 GJG 0.8647
918 NU3 0.8647
919 PD2 0.8646
920 ID2 0.8645
921 51Y 0.8644
922 SQ7 0.8641
923 VFG 0.8641
924 GNG 0.8641
925 0F3 0.8639
926 SNO 0.8637
927 CPZ 0.8636
928 IS2 0.8635
929 AJY 0.8635
930 7ME 0.8633
931 EZL 0.8632
932 A5E 0.8632
933 HMD 0.8632
934 44W 0.8632
935 KU1 0.8630
936 ICB 0.8630
937 ENG 0.8630
938 WS6 0.8630
939 RNO 0.8630
940 MR6 0.8629
941 2F6 0.8628
942 HWB 0.8627
943 P7V 0.8626
944 UQ1 0.8625
945 582 0.8623
946 CL9 0.8622
947 GVI 0.8622
948 DQU 0.8619
949 6NZ 0.8618
950 6GP 0.8618
951 PZX 0.8617
952 4MU 0.8616
953 5SD 0.8616
954 LO1 0.8615
955 A5Q 0.8614
956 VXX 0.8613
957 44V 0.8612
958 K37 0.8611
959 MS9 0.8610
960 6BL 0.8609
961 J9Q 0.8608
962 TQU 0.8607
963 MSR 0.8606
964 4HG 0.8597
965 IBP 0.8594
966 L5V 0.8592
967 A05 0.8592
968 27K 0.8592
969 UXH 0.8590
970 YZM 0.8590
971 I3E 0.8590
972 3AD 0.8590
973 ESZ 0.8588
974 15E 0.8587
975 6H2 0.8586
976 PPY 0.8586
977 A2G 0.8585
978 EMO 0.8585
979 R18 0.8585
980 5CD 0.8582
981 AJ4 0.8581
982 2D3 0.8581
983 57U 0.8579
984 BIE 0.8579
985 6FZ 0.8577
986 R9Y 0.8577
987 IK1 0.8573
988 PDC 0.8573
989 DX3 0.8570
990 5ID 0.8569
991 4E3 0.8568
992 17M 0.8566
993 MUK 0.8564
994 4E2 0.8564
995 IRG 0.8563
996 DQH 0.8562
997 GDE 0.8559
998 RYV 0.8556
999 GI4 0.8551
1000 LQ2 0.8547
1001 SAK 0.8542
1002 IA2 0.8538
1003 XHP 0.8524
1004 52C 0.8521
1005 LZ2 0.8517
1006 5NS 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HVA; Ligand: 4HV; 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: 4hva.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4HVA; Ligand: 4HV; 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: 4hva.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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