Receptor
PDB id Resolution Class Description Source Keywords
6CH6 1.7 Å EC: 1.11.1.7 DEHALOPEROXIDASE B IN COMPLEX WITH SUBSTRATE 2,4-DIMETHOXYPH AMPHITRITE ORNATA OXIDOREDUCTASE
Ref.: PEROXIDASE VERSUS PEROXYGENASE ACTIVITY: SUBSTRATE SUBSTITUENT EFFECTS AS MODULATORS OF ENZYME FUNCTIO MULTIFUNCTIONAL CATALYTIC GLOBIN DEHALOPEROXIDASE. BIOCHEMISTRY V. 57 4455 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:201;
B:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:203;
A:202;
A:204;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL A:207;
A:206;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
F0J A:205;
Valid;
none;
submit data
154.163 C8 H10 O3 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CHR 1.98 Å EC: 1.11.1.7 DEHALOPEROXIDASE B IN COMPLEX WITH SUBSTRATE P-NITROCATECHOL AMPHITRITE ORNATA SUBSTRATE OXIDOREDUCTASE
Ref.: NONMICROBIAL NITROPHENOL DEGRADATION VIA PEROXYGENA ACTIVITY OF DEHALOPEROXIDASE-HEMOGLOBIN FROM AMPHIT ORNATA. BIOCHEMISTRY V. 55 2465 2016
Members (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6CRE Kd = 1745 uM F9G C7 H7 Br O2 COc1ccc(cc....
2 3LB3 Kd = 1.78 mM 4CH C6 H5 Cl O c1cc(ccc1O....
3 3LB1 Kd = 0.536 mM IOL C6 H5 I O c1cc(ccc1O....
4 4KMV - T6C C6 H3 Cl3 O c1c(cc(c(c....
5 6ONG Kd = 2970 uM MWM C7 H7 F O Cc1cc(ccc1....
6 6OO8 Kd = 79 uM PCI C6 H Cl5 O c1(c(c(c(c....
7 4FH7 Ki = 0.51 mM TBP C6 H3 Br3 O c1c(cc(c(c....
8 4FH6 - TBP C6 H3 Br3 O c1c(cc(c(c....
9 6CKE Kd = 374 uM 3Z7 C7 H7 Br O2 COc1cc(ccc....
10 6OO6 Kd = 2682 uM PCR C7 H8 O Cc1ccc(cc1....
11 6ONR Kd = 309 uM N0D C8 H10 O Cc1ccc(c(c....
12 4KMW - T6C C6 H3 Cl3 O c1c(cc(c(c....
13 3LB2 Kd = 1.15 mM BML C6 H5 Br O c1cc(ccc1O....
14 4HSX - BML C6 H5 Br O c1cc(ccc1O....
15 6CH5 Kd = 1341 uM F0M C7 H7 N O4 COc1cc(ccc....
16 5CHR Kd = 40 uM 4NC C6 H5 N O4 c1cc(c(cc1....
17 6CH6 - F0J C8 H10 O3 COc1ccc(c(....
18 4ILZ - TBP C6 H3 Br3 O c1c(cc(c(c....
19 6ONX Kd = 86 uM MWJ C7 H7 Br O Cc1cc(ccc1....
20 4KN3 - T6C C6 H3 Cl3 O c1c(cc(c(c....
21 6ONK Kd = 130 uM MZG C7 H7 Cl O Cc1cc(ccc1....
22 6I7F - 5JC C6 H4 Cl2 O c1cc(c(cc1....
23 5CHQ Kd = 262 uM NPO C6 H5 N O3 c1cc(ccc1[....
24 6CO5 Kd = 1332 uM F81 C7 H7 Br O2 COc1cccc(c....
25 6I6G - H4N C8 H6 Br N c1cc2c(cc[....
26 6ONZ Kd = 155 uM MYJ C7 H7 N O3 Cc1cc(ccc1....
27 6OO1 Kd = 4594 uM JZ0 C7 H8 O Cc1ccccc1O
28 3LB4 Kd = 3.72 mM FPN C6 H5 F O c1cc(ccc1O....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6CRE Kd = 1745 uM F9G C7 H7 Br O2 COc1ccc(cc....
2 3LB3 Kd = 1.78 mM 4CH C6 H5 Cl O c1cc(ccc1O....
3 3LB1 Kd = 0.536 mM IOL C6 H5 I O c1cc(ccc1O....
4 4KMV - T6C C6 H3 Cl3 O c1c(cc(c(c....
5 6ONG Kd = 2970 uM MWM C7 H7 F O Cc1cc(ccc1....
6 6OO8 Kd = 79 uM PCI C6 H Cl5 O c1(c(c(c(c....
7 4FH7 Ki = 0.51 mM TBP C6 H3 Br3 O c1c(cc(c(c....
8 4FH6 - TBP C6 H3 Br3 O c1c(cc(c(c....
9 6CKE Kd = 374 uM 3Z7 C7 H7 Br O2 COc1cc(ccc....
10 6OO6 Kd = 2682 uM PCR C7 H8 O Cc1ccc(cc1....
11 6ONR Kd = 309 uM N0D C8 H10 O Cc1ccc(c(c....
12 4KMW - T6C C6 H3 Cl3 O c1c(cc(c(c....
13 3LB2 Kd = 1.15 mM BML C6 H5 Br O c1cc(ccc1O....
14 4HSX - BML C6 H5 Br O c1cc(ccc1O....
15 6CH5 Kd = 1341 uM F0M C7 H7 N O4 COc1cc(ccc....
16 5CHR Kd = 40 uM 4NC C6 H5 N O4 c1cc(c(cc1....
17 6CH6 - F0J C8 H10 O3 COc1ccc(c(....
18 4ILZ - TBP C6 H3 Br3 O c1c(cc(c(c....
19 6ONX Kd = 86 uM MWJ C7 H7 Br O Cc1cc(ccc1....
20 4KN3 - T6C C6 H3 Cl3 O c1c(cc(c(c....
21 6ONK Kd = 130 uM MZG C7 H7 Cl O Cc1cc(ccc1....
22 6I7F - 5JC C6 H4 Cl2 O c1cc(c(cc1....
23 5CHQ Kd = 262 uM NPO C6 H5 N O3 c1cc(ccc1[....
24 6CO5 Kd = 1332 uM F81 C7 H7 Br O2 COc1cccc(c....
25 6I6G - H4N C8 H6 Br N c1cc2c(cc[....
26 6ONZ Kd = 155 uM MYJ C7 H7 N O3 Cc1cc(ccc1....
27 6OO1 Kd = 4594 uM JZ0 C7 H8 O Cc1ccccc1O
28 3LB4 Kd = 3.72 mM FPN C6 H5 F O c1cc(ccc1O....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6CRE Kd = 1745 uM F9G C7 H7 Br O2 COc1ccc(cc....
2 3LB3 Kd = 1.78 mM 4CH C6 H5 Cl O c1cc(ccc1O....
3 3LB1 Kd = 0.536 mM IOL C6 H5 I O c1cc(ccc1O....
4 4KMV - T6C C6 H3 Cl3 O c1c(cc(c(c....
5 6ONG Kd = 2970 uM MWM C7 H7 F O Cc1cc(ccc1....
6 6OO8 Kd = 79 uM PCI C6 H Cl5 O c1(c(c(c(c....
7 4FH7 Ki = 0.51 mM TBP C6 H3 Br3 O c1c(cc(c(c....
8 4FH6 - TBP C6 H3 Br3 O c1c(cc(c(c....
9 6CKE Kd = 374 uM 3Z7 C7 H7 Br O2 COc1cc(ccc....
10 6OO6 Kd = 2682 uM PCR C7 H8 O Cc1ccc(cc1....
11 6ONR Kd = 309 uM N0D C8 H10 O Cc1ccc(c(c....
12 4KMW - T6C C6 H3 Cl3 O c1c(cc(c(c....
13 3LB2 Kd = 1.15 mM BML C6 H5 Br O c1cc(ccc1O....
14 4HSX - BML C6 H5 Br O c1cc(ccc1O....
15 6CH5 Kd = 1341 uM F0M C7 H7 N O4 COc1cc(ccc....
16 5CHR Kd = 40 uM 4NC C6 H5 N O4 c1cc(c(cc1....
17 6CH6 - F0J C8 H10 O3 COc1ccc(c(....
18 4ILZ - TBP C6 H3 Br3 O c1c(cc(c(c....
19 6ONX Kd = 86 uM MWJ C7 H7 Br O Cc1cc(ccc1....
20 4KN3 - T6C C6 H3 Cl3 O c1c(cc(c(c....
21 6ONK Kd = 130 uM MZG C7 H7 Cl O Cc1cc(ccc1....
22 6I7F - 5JC C6 H4 Cl2 O c1cc(c(cc1....
23 5CHQ Kd = 262 uM NPO C6 H5 N O3 c1cc(ccc1[....
24 6CO5 Kd = 1332 uM F81 C7 H7 Br O2 COc1cccc(c....
25 6I6G - H4N C8 H6 Br N c1cc2c(cc[....
26 6ONZ Kd = 155 uM MYJ C7 H7 N O3 Cc1cc(ccc1....
27 6OO1 Kd = 4594 uM JZ0 C7 H8 O Cc1ccccc1O
28 3LB4 Kd = 3.72 mM FPN C6 H5 F O c1cc(ccc1O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F0J; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 F0J 1 1
2 4HM 0.647059 0.740741
3 3Z7 0.459459 0.692308
4 VXX 0.418605 0.84
5 4M4 0.414634 0.75
6 V55 0.414634 0.826087
7 H7Y 0.404762 0.826087
8 EUG 0.404762 0.826087
Similar Ligands (3D)
Ligand no: 1; Ligand: F0J; Similar ligands found: 1186
No: Ligand Similarity coefficient
1 VNL 0.9777
2 4ZC 0.9662
3 BGC 0.9648
4 GCS 0.9645
5 Q88 0.9629
6 G3F 0.9628
7 VOH 0.9606
8 GLC 0.9604
9 8S0 0.9601
10 AHR 0.9589
11 F31 0.9581
12 3MB 0.9577
13 QSB 0.9566
14 CWM 0.9563
15 DNF 0.9561
16 HX3 0.9553
17 ES0 0.9551
18 P9P 0.9536
19 54G 0.9528
20 4XR 0.9522
21 5M0 0.9522
22 GTQ 0.9521
23 2D0 0.9520
24 6CS 0.9517
25 7VJ 0.9516
26 5RG 0.9507
27 FOT 0.9507
28 3XX 0.9505
29 93K 0.9492
30 HJP 0.9489
31 0P6 0.9489
32 KT7 0.9485
33 1DW 0.9479
34 DHB 0.9479
35 IHB 0.9478
36 KOJ 0.9476
37 9TW 0.9475
38 MYJ 0.9471
39 INO 0.9469
40 9TZ 0.9468
41 CWS 0.9466
42 TWO 0.9463
43 4NC 0.9459
44 UNC 0.9457
45 0W8 0.9456
46 4CS 0.9456
47 1P7 0.9455
48 CHB 0.9454
49 NOJ 0.9448
50 URC 0.9448
51 SX1 0.9436
52 KUF 0.9432
53 3R6 0.9431
54 ASO 0.9422
55 5MK 0.9421
56 NMJ 0.9421
57 12M 0.9417
58 AEH 0.9416
59 GAL 0.9415
60 MZG 0.9415
61 GYE 0.9410
62 EOL 0.9409
63 S76 0.9409
64 M1E 0.9404
65 2YU 0.9403
66 3HB 0.9402
67 I3A 0.9401
68 5JC 0.9400
69 IJZ 0.9399
70 TM7 0.9395
71 A7W 0.9394
72 8CM 0.9393
73 MWM 0.9392
74 9MG 0.9392
75 3HM 0.9391
76 R8S 0.9390
77 3NT 0.9389
78 PYD 0.9388
79 HT4 0.9385
80 XBZ 0.9384
81 8TX 0.9384
82 Y8I 0.9383
83 3DO 0.9381
84 4ZE 0.9381
85 43M 0.9380
86 2HO 0.9379
87 8WT 0.9378
88 XQG 0.9378
89 G4D 0.9376
90 75K 0.9376
91 QOS 0.9375
92 B55 0.9375
93 2A9 0.9368
94 URF 0.9365
95 BTY 0.9364
96 4AV 0.9363
97 7HQ 0.9363
98 FHB 0.9360
99 25W 0.9359
100 MCT 0.9358
101 SWD 0.9358
102 MWJ 0.9353
103 PDC 0.9352
104 463 0.9351
105 4A3 0.9350
106 5B1 0.9350
107 DGJ 0.9349
108 XX2 0.9348
109 JLZ 0.9344
110 3MG 0.9342
111 FRU 0.9342
112 4XH 0.9342
113 5Q0 0.9341
114 8GC 0.9341
115 ORO 0.9340
116 24W 0.9338
117 G6D 0.9338
118 LGC 0.9337
119 8IG 0.9337
120 HPA 0.9337
121 G2F 0.9336
122 DIE 0.9336
123 3Z8 0.9336
124 C2U 0.9335
125 2MP 0.9334
126 2AC 0.9334
127 4HO 0.9333
128 ES1 0.9333
129 ES4 0.9333
130 TLD 0.9332
131 XYD 0.9332
132 TDR 0.9331
133 6MP 0.9331
134 JND 0.9330
135 NNO 0.9330
136 ADZ 0.9330
137 4CL 0.9329
138 HH8 0.9329
139 4XS 0.9327
140 DHK 0.9326
141 A1U 0.9325
142 1SQ 0.9325
143 GUN 0.9324
144 9DG 0.9323
145 M0Q 0.9322
146 BR9 0.9321
147 NOY 0.9320
148 1NP 0.9319
149 OW4 0.9318
150 LZM 0.9318
151 34A 0.9317
152 3AB 0.9317
153 7WR 0.9316
154 5SG 0.9316
155 XXR 0.9316
156 4JJ 0.9315
157 N8Y 0.9313
158 DBJ 0.9312
159 OVV 0.9312
160 ICP 0.9312
161 XYP 0.9311
162 27Y 0.9310
163 8WO 0.9310
164 RM1 0.9308
165 4ME 0.9308
166 QBK 0.9308
167 KBG 0.9307
168 JBH 0.9306
169 T6C 0.9306
170 7NI 0.9305
171 ADE 0.9305
172 AX3 0.9305
173 3HA 0.9304
174 1LQ 0.9303
175 3ID 0.9302
176 EV0 0.9302
177 42A 0.9302
178 N5J 0.9300
179 II6 0.9297
180 OVM 0.9297
181 P3K 0.9297
182 4JO 0.9297
183 LCN 0.9296
184 23A 0.9296
185 5IQ 0.9296
186 10L 0.9296
187 AZA 0.9296
188 53C 0.9295
189 WBU 0.9294
190 IFL 0.9293
191 SWA 0.9293
192 Q6T 0.9293
193 4YS 0.9292
194 MRW 0.9291
195 HQY 0.9291
196 OXC 0.9291
197 XAN 0.9291
198 2MN 0.9289
199 DBH 0.9289
200 2EC 0.9286
201 PM6 0.9286
202 7VS 0.9284
203 82I 0.9281
204 UAN 0.9280
205 BTE 0.9280
206 TH0 0.9279
207 LXC 0.9279
208 JPZ 0.9278
209 BDP 0.9278
210 AH8 0.9277
211 LDP 0.9277
212 CFP 0.9277
213 BRT 0.9276
214 NDM 0.9276
215 3F0 0.9276
216 7B4 0.9276
217 7WA 0.9275
218 5MH 0.9274
219 HMH 0.9273
220 IFM 0.9272
221 WCE 0.9271
222 MBG 0.9270
223 PXL 0.9268
224 AJ2 0.9268
225 6LW 0.9267
226 9HX 0.9267
227 3M0 0.9267
228 BZX 0.9266
229 XAZ 0.9266
230 JZ2 0.9264
231 5WX 0.9263
232 GAB 0.9262
233 SHG 0.9262
234 141 0.9262
235 OVP 0.9261
236 IF7 0.9260
237 DOR 0.9260
238 KKN 0.9260
239 2XX 0.9259
240 ICO 0.9259
241 BP1 0.9259
242 DIN 0.9258
243 WOO 0.9257
244 KIB 0.9257
245 GDE 0.9256
246 5HN 0.9256
247 7MH 0.9255
248 M6N 0.9254
249 3BZ 0.9253
250 7HP 0.9252
251 261 0.9252
252 5RO 0.9251
253 BMA 0.9251
254 9DA 0.9250
255 ASC 0.9247
256 DX4 0.9246
257 5RN 0.9244
258 RIB 0.9243
259 2AL 0.9243
260 XQ0 0.9241
261 A2F 0.9241
262 AKH 0.9240
263 BCP 0.9240
264 24B 0.9237
265 290 0.9237
266 2H5 0.9236
267 DMD 0.9236
268 IGA 0.9236
269 NGO 0.9235
270 UEG 0.9234
271 42C 0.9234
272 SOE 0.9234
273 C2A 0.9232
274 JFJ 0.9232
275 149 0.9232
276 5JQ 0.9232
277 4XV 0.9230
278 DNC 0.9230
279 MR1 0.9227
280 3DM 0.9226
281 BZ3 0.9226
282 ADK 0.9226
283 1MC 0.9222
284 DIU 0.9222
285 PE0 0.9220
286 ZZT 0.9219
287 D1X 0.9219
288 6GU 0.9219
289 BOA 0.9219
290 M5K 0.9219
291 OMD 0.9219
292 QSH 0.9214
293 AZ8 0.9213
294 YSO 0.9211
295 ESI 0.9210
296 B53 0.9210
297 XHP 0.9210
298 4MU 0.9208
299 5OB 0.9208
300 6M9 0.9206
301 5UC 0.9206
302 J9T 0.9206
303 SRO 0.9205
304 35C 0.9205
305 OTW 0.9204
306 EQT 0.9203
307 680 0.9203
308 SKM 0.9202
309 FYU 0.9202
310 1GN 0.9201
311 0RW 0.9201
312 B62 0.9200
313 7MU 0.9199
314 RB5 0.9198
315 XYL 0.9198
316 QX4 0.9196
317 HH5 0.9195
318 0FO 0.9195
319 GLA 0.9194
320 JIF 0.9194
321 5WY 0.9194
322 PD2 0.9193
323 F12 0.9193
324 SYV 0.9192
325 2FG 0.9191
326 NSP 0.9191
327 069 0.9190
328 AQO 0.9190
329 M1H 0.9189
330 8ZE 0.9188
331 5XC 0.9187
332 XIY 0.9187
333 5JL 0.9186
334 JFD 0.9186
335 EYK 0.9185
336 1WG 0.9184
337 ZB1 0.9182
338 9EW 0.9182
339 12Q 0.9182
340 4HC 0.9181
341 Q24 0.9181
342 3MA 0.9181
343 ZZ3 0.9180
344 MWP 0.9179
345 B60 0.9179
346 JZ3 0.9177
347 GIV 0.9176
348 6M4 0.9175
349 SVN 0.9175
350 DQU 0.9173
351 8XQ 0.9172
352 GIO 0.9171
353 FP1 0.9170
354 1XM 0.9170
355 M1Q 0.9168
356 6AI 0.9167
357 SAL 0.9167
358 ES5 0.9166
359 HLZ 0.9166
360 SHA 0.9165
361 ES7 0.9165
362 BEA 0.9164
363 ES9 0.9162
364 ISN 0.9162
365 1XN 0.9162
366 SOR 0.9162
367 4FS 0.9161
368 J9W 0.9161
369 SF6 0.9160
370 0HO 0.9160
371 M1A 0.9159
372 ABV 0.9158
373 HZQ 0.9158
374 948 0.9157
375 P92 0.9157
376 7ME 0.9156
377 DIG 0.9156
378 F05 0.9156
379 GXL 0.9155
380 KJY 0.9154
381 MT0 0.9154
382 OW7 0.9153
383 JB5 0.9153
384 7W4 0.9153
385 F4Z 0.9153
386 67N 0.9153
387 3OC 0.9153
388 5MB 0.9152
389 FUD 0.9152
390 14O 0.9152
391 03V 0.9152
392 FE DB1 0.9152
393 MEW 0.9152
394 2CQ 0.9151
395 X6X 0.9150
396 PXM 0.9150
397 H42 0.9149
398 495 0.9148
399 GAF 0.9147
400 ZXD 0.9147
401 8H8 0.9147
402 32X 0.9147
403 275 0.9146
404 NFQ 0.9145
405 6R8 0.9145
406 5H1 0.9145
407 1U6 0.9143
408 HA5 0.9143
409 DFU 0.9142
410 HMU 0.9142
411 EA1 0.9141
412 HHA 0.9141
413 86J 0.9141
414 GLY PRO 0.9140
415 BE2 0.9140
416 RXA 0.9140
417 IV2 0.9139
418 R9Y 0.9138
419 2DR 0.9138
420 COU 0.9137
421 6ME 0.9137
422 MVN 0.9135
423 11S 0.9134
424 AX7 0.9134
425 JBK 0.9134
426 6AP 0.9134
427 ALL 0.9133
428 BSX 0.9132
429 YH7 0.9132
430 GOX 0.9129
431 3IT 0.9129
432 2HQ 0.9129
433 SKA 0.9128
434 APZ 0.9127
435 44W 0.9127
436 YIO 0.9126
437 717 0.9126
438 M2H 0.9126
439 5MI 0.9124
440 NQ 0.9123
441 34D 0.9122
442 2AQ 0.9121
443 RD4 0.9120
444 AW5 0.9120
445 H4N 0.9120
446 RIP 0.9119
447 4AA 0.9118
448 0CU 0.9118
449 FK1 0.9117
450 OXZ 0.9115
451 2A7 0.9115
452 M2K 0.9115
453 150 0.9114
454 HQT 0.9114
455 LNR 0.9113
456 F60 0.9113
457 NTZ 0.9113
458 IPZ 0.9113
459 PRF 0.9113
460 HNQ 0.9112
461 AMG 0.9111
462 2MI 0.9108
463 270 0.9108
464 1X7 0.9108
465 ZWZ 0.9107
466 RNT 0.9107
467 5QY 0.9107
468 TBP 0.9106
469 0HN 0.9106
470 0W1 0.9106
471 FCA 0.9105
472 DBX 0.9105
473 44V 0.9105
474 4Z4 0.9104
475 4SX 0.9104
476 LYL 0.9102
477 AS3 0.9102
478 FDB 0.9102
479 FUC 0.9101
480 HXX 0.9101
481 DOB 0.9100
482 12B 0.9100
483 1M2 0.9099
484 3U4 0.9099
485 LKA 0.9099
486 PRZ 0.9098
487 1AL 0.9098
488 KJH 0.9098
489 MAQ 0.9098
490 TTY 0.9098
491 42J 0.9097
492 VK3 0.9097
493 OCH 0.9096
494 5WV 0.9096
495 4A5 0.9094
496 6RQ 0.9094
497 EXO 0.9093
498 5QX 0.9092
499 JTH 0.9092
500 IUR 0.9091
501 FA1 0.9090
502 KJU 0.9090
503 2K4 0.9090
504 2LP 0.9088
505 TTL 0.9088
506 F9Y 0.9087
507 KBB 0.9087
508 6NT 0.9087
509 0F9 0.9087
510 HBA 0.9087
511 EVA 0.9087
512 3PF 0.9086
513 MAN 0.9085
514 GXY 0.9084
515 RAM 0.9084
516 DFB 0.9083
517 2ZQ 0.9082
518 DEE 0.9081
519 MO8 0.9081
520 K3Q 0.9078
521 MUA 0.9078
522 GCU 0.9076
523 SF9 0.9075
524 G3E 0.9075
525 TC7 0.9075
526 TH7 0.9075
527 X0V 0.9073
528 A65 0.9073
529 B57 0.9073
530 45C 0.9071
531 AZG 0.9071
532 H76 0.9070
533 2FY 0.9070
534 KTW 0.9070
535 7W1 0.9070
536 5NU 0.9069
537 E7Z 0.9069
538 GTR 0.9069
539 FUL 0.9068
540 5CU 0.9068
541 BCU 0.9067
542 NIZ 0.9067
543 BK9 0.9065
544 FA0 0.9065
545 4H2 0.9065
546 B3R 0.9064
547 ES6 0.9064
548 2BG 0.9063
549 X0W 0.9063
550 JKE 0.9063
551 CRS 0.9062
552 TSS 0.9060
553 Z6J 0.9058
554 XLS 0.9057
555 DRL 0.9055
556 XYS 0.9055
557 7ZE 0.9055
558 SXS 0.9054
559 GV9 0.9053
560 HIS 0.9053
561 JA8 0.9053
562 GIF 0.9052
563 HQJ 0.9052
564 KYD 0.9052
565 5GU 0.9051
566 M3T 0.9050
567 B2J 0.9050
568 DHQ 0.9048
569 DMJ 0.9047
570 284 0.9047
571 4M0 0.9046
572 URA 0.9046
573 FGZ 0.9045
574 9FE 0.9043
575 GLT 0.9041
576 INE 0.9040
577 GZL 0.9039
578 HEW 0.9039
579 CKU 0.9038
580 0MK 0.9038
581 JUG 0.9037
582 1P8 0.9036
583 VGD 0.9036
584 RCO 0.9036
585 AGK 0.9035
586 GCB 0.9035
587 0R0 0.9034
588 4SV 0.9034
589 IDH 0.9033
590 4JT 0.9031
591 FHN 0.9030
592 CN0 0.9029
593 A29 0.9029
594 IFP 0.9029
595 PQ0 0.9029
596 GLF 0.9028
597 J5I 0.9028
598 GTL 0.9028
599 6M1 0.9028
600 8G0 0.9026
601 5NI 0.9026
602 26D 0.9026
603 NID 0.9026
604 9KH 0.9025
605 1LM 0.9021
606 HQD 0.9020
607 BHA 0.9019
608 0LH 0.9018
609 GLY CYS 0.9018
610 ES2 0.9018
611 HGQ 0.9018
612 GT0 0.9017
613 1P3 0.9017
614 TEP 0.9017
615 MNM 0.9016
616 4FH 0.9016
617 SE2 0.9016
618 UFO 0.9016
619 TFU 0.9015
620 FCB 0.9014
621 MS9 0.9014
622 ET2 0.9013
623 GJS 0.9012
624 1PT 0.9012
625 329 0.9008
626 LG5 0.9008
627 O72 0.9006
628 IPB 0.9005
629 G5V 0.9005
630 PFB 0.9004
631 PSV 0.9004
632 3NY 0.9002
633 XUL 0.9000
634 3CH 0.9000
635 QPR 0.9000
636 GRE 0.8999
637 SYA 0.8998
638 8NY 0.8998
639 TIU 0.8998
640 PYQ 0.8998
641 3AL 0.8997
642 PA1 0.8997
643 LT2 0.8997
644 AZ9 0.8997
645 7WV 0.8997
646 MFU 0.8996
647 RNS 0.8993
648 MFB 0.8993
649 N2I 0.8992
650 YTX 0.8992
651 1KP 0.8992
652 0N7 0.8990
653 AY4 0.8990
654 LG3 0.8990
655 EKZ 0.8989
656 3RK 0.8989
657 GLO 0.8988
658 FH2 0.8988
659 DPZ 0.8987
660 EMZ 0.8986
661 SJ5 0.8985
662 URQ 0.8985
663 G1O 0.8984
664 1F1 0.8983
665 BVF 0.8982
666 N7I 0.8981
667 HHR 0.8981
668 ABE 0.8980
669 2ZM 0.8976
670 5ZE 0.8976
671 ISE 0.8976
672 L99 0.8974
673 NPO 0.8973
674 92P 0.8973
675 DTL 0.8972
676 3WA 0.8972
677 AFR 0.8970
678 4VP 0.8969
679 1WD 0.8969
680 CIG 0.8968
681 RJY 0.8967
682 9KT 0.8967
683 FDK 0.8966
684 36R 0.8966
685 RSF 0.8966
686 HLD 0.8964
687 DHS 0.8963
688 GM7 0.8963
689 FPY 0.8962
690 NCD 0.8962
691 QAT 0.8962
692 4TU 0.8961
693 3A9 0.8961
694 A13 0.8961
695 KDV 0.8960
696 47J 0.8960
697 PH2 0.8960
698 R8V 0.8959
699 D48 0.8958
700 PHB 0.8958
701 F9P 0.8955
702 PKU 0.8955
703 YQA 0.8955
704 RAT 0.8954
705 HHQ 0.8954
706 6F0 0.8954
707 RM4 0.8953
708 XRG 0.8952
709 L5V 0.8952
710 92K 0.8951
711 5VM 0.8951
712 D07 0.8950
713 95Z 0.8945
714 BDF 0.8943
715 FAN 0.8942
716 LFR 0.8940
717 ISD 0.8940
718 QUZ 0.8940
719 ONR 0.8939
720 FIX 0.8938
721 KIA 0.8938
722 51R 0.8936
723 PAB 0.8936
724 0JD 0.8935
725 QIC 0.8935
726 8GF 0.8934
727 209 0.8934
728 XM0 0.8933
729 CYT 0.8933
730 CLW 0.8932
731 ABI 0.8931
732 MXN 0.8930
733 EJZ 0.8930
734 KTA 0.8928
735 13X 0.8928
736 TZE 0.8927
737 8HC 0.8927
738 AX2 0.8927
739 AJV 0.8926
740 AIN 0.8926
741 BZ2 0.8926
742 2ZV 0.8925
743 ADA 0.8923
744 PZI 0.8923
745 K2T 0.8921
746 KYA 0.8921
747 YCP 0.8921
748 AZF 0.8920
749 ARB 0.8920
750 7I2 0.8920
751 JZ4 0.8919
752 FBB 0.8919
753 2AK 0.8919
754 CFI 0.8918
755 15L 0.8913
756 286 0.8913
757 PQK 0.8913
758 4ZA 0.8913
759 BR8 0.8913
760 ERH 0.8912
761 PRY 0.8911
762 39A 0.8910
763 ISZ 0.8909
764 NPY 0.8909
765 JAW 0.8908
766 8W9 0.8908
767 7CZ 0.8907
768 DUB 0.8907
769 RSO 0.8906
770 O2A 0.8906
771 H33 0.8905
772 J9Q 0.8902
773 15N 0.8902
774 UFV 0.8902
775 PEA 0.8901
776 HPT 0.8900
777 BEN 0.8900
778 BEZ 0.8898
779 2HU 0.8897
780 6MH 0.8897
781 6VD 0.8896
782 NK 0.8894
783 0FK 0.8893
784 2ZX 0.8892
785 M5N 0.8892
786 1XX 0.8891
787 LRH 0.8891
788 NIO 0.8891
789 KDF 0.8890
790 VNJ 0.8890
791 6UA 0.8890
792 INS 0.8890
793 293 0.8889
794 GZ8 0.8889
795 BZJ 0.8888
796 JZ1 0.8887
797 F81 0.8887
798 7B3 0.8887
799 SR1 0.8885
800 FA3 0.8884
801 E7S 0.8884
802 6NI 0.8883
803 AMC 0.8882
804 ODO 0.8881
805 OXQ 0.8881
806 5CL 0.8880
807 Z5P 0.8879
808 QAS 0.8879
809 MB1 0.8878
810 C2Y 0.8878
811 0GZ 0.8878
812 2GS 0.8877
813 P72 0.8877
814 OAA 0.8877
815 NEQ 0.8877
816 Z82 0.8875
817 BHO 0.8874
818 PBZ 0.8874
819 1Y6 0.8873
820 4VY 0.8872
821 DQA 0.8871
822 CIY 0.8871
823 AC6 0.8871
824 4MA 0.8870
825 LSA 0.8869
826 TCZ 0.8867
827 5AN 0.8866
828 4P5 0.8865
829 JBQ 0.8865
830 14J 0.8864
831 6PC 0.8863
832 HQ9 0.8862
833 3FH 0.8862
834 AL0 0.8861
835 PHT 0.8861
836 FBU 0.8860
837 4FA 0.8859
838 97T 0.8858
839 FLV 0.8854
840 GTZ 0.8852
841 FBM 0.8850
842 0TR 0.8850
843 X09 0.8848
844 091 0.8847
845 2MY 0.8846
846 3AY 0.8846
847 HBD 0.8846
848 IAC 0.8845
849 XCZ 0.8844
850 173 0.8844
851 R8A 0.8843
852 FUF 0.8843
853 FDR 0.8842
854 CTS 0.8841
855 PYG 0.8840
856 3CE 0.8840
857 H8N 0.8840
858 NBZ 0.8840
859 CXF 0.8839
860 37T 0.8839
861 Q71 0.8839
862 JDN 0.8838
863 AJY 0.8837
864 5NE 0.8837
865 SLS 0.8836
866 4JQ 0.8835
867 OTD 0.8835
868 F5B 0.8834
869 OA3 0.8831
870 NTM 0.8831
871 MLT 0.8831
872 NCA 0.8830
873 2FQ 0.8829
874 9ZE 0.8828
875 FBW 0.8828
876 CTL 0.8827
877 JAE 0.8826
878 MBD 0.8825
879 SVD 0.8825
880 826 0.8824
881 ZYR 0.8824
882 NDH 0.8823
883 MJ2 0.8823
884 H6B 0.8823
885 EXD 0.8822
886 HLR 0.8821
887 94N 0.8821
888 DEN 0.8820
889 BBF 0.8819
890 CIT 0.8817
891 9FL 0.8817
892 GLU 0.8815
893 NVU 0.8815
894 R9S 0.8815
895 8NX 0.8814
896 WDL 0.8814
897 2TQ 0.8812
898 CWJ 0.8812
899 LI6 0.8812
900 E1T 0.8811
901 15E 0.8811
902 JXN 0.8811
903 M1Z 0.8809
904 3FA 0.8809
905 FPI 0.8809
906 285 0.8809
907 2CM 0.8808
908 8XL 0.8806
909 TAG 0.8805
910 5WU 0.8805
911 NPA 0.8804
912 4YO 0.8804
913 K22 0.8804
914 BCF 0.8804
915 ESP 0.8802
916 TAR 0.8801
917 SYN 0.8801
918 3C4 0.8800
919 PHU 0.8800
920 BAM 0.8800
921 R2B 0.8799
922 MQN 0.8799
923 226 0.8799
924 BZI 0.8798
925 GAG 0.8798
926 BZF 0.8795
927 FA6 0.8795
928 IND 0.8794
929 23W 0.8793
930 7D2 0.8793
931 BPU 0.8793
932 2CK 0.8792
933 GVH 0.8791
934 E35 0.8788
935 2LY 0.8788
936 3SK 0.8787
937 TSR 0.8786
938 8VE 0.8786
939 GMN 0.8786
940 UNU 0.8785
941 3BU 0.8784
942 AC0 0.8783
943 FLC 0.8783
944 IBF 0.8783
945 GOO 0.8780
946 4WL 0.8780
947 XXG 0.8779
948 PFL 0.8779
949 TRC 0.8778
950 PBA 0.8778
951 6TZ 0.8778
952 JG8 0.8778
953 HBX 0.8778
954 DUC 0.8777
955 H3M 0.8777
956 QWN 0.8776
957 ABN 0.8776
958 DHY 0.8775
959 CLZ 0.8774
960 0FN 0.8774
961 HA7 0.8773
962 PAC 0.8772
963 57O 0.8772
964 MSN 0.8772
965 32O 0.8771
966 ICB 0.8770
967 2C9 0.8770
968 M4E 0.8770
969 JF1 0.8769
970 PEY 0.8769
971 B5D 0.8769
972 XBT 0.8768
973 23J 0.8768
974 2O6 0.8767
975 4KL 0.8765
976 3MC 0.8764
977 SRT 0.8763
978 6OT 0.8763
979 GYP 0.8762
980 ZZ8 0.8762
981 KLW 0.8761
982 LZ1 0.8760
983 MPI 0.8760
984 J6W 0.8760
985 NBG 0.8759
986 DQN 0.8759
987 DA4 0.8758
988 4SD 0.8756
989 6FZ 0.8755
990 3ZQ 0.8755
991 RBL 0.8754
992 PYF 0.8753
993 0CT 0.8752
994 PZA 0.8752
995 N8P 0.8752
996 AUD 0.8752
997 QXW 0.8750
998 F2W 0.8750
999 GCO 0.8750
1000 9R5 0.8748
1001 JZ9 0.8747
1002 M4T 0.8746
1003 0R1 0.8746
1004 PBC 0.8746
1005 8OZ 0.8746
1006 FLM 0.8746
1007 TT4 0.8746
1008 HKD 0.8745
1009 IDM 0.8744
1010 39U 0.8744
1011 ASP 0.8744
1012 LMR 0.8743
1013 K17 0.8741
1014 NDG 0.8740
1015 R20 0.8740
1016 4JM 0.8739
1017 TOF 0.8739
1018 LDR 0.8738
1019 FBA 0.8737
1020 YRL 0.8735
1021 94W 0.8735
1022 ESX 0.8735
1023 8NB 0.8735
1024 TLA 0.8734
1025 0TU 0.8732
1026 C9E 0.8731
1027 GHM 0.8731
1028 61M 0.8728
1029 REL 0.8728
1030 7WG 0.8727
1031 FQI 0.8727
1032 DZX 0.8727
1033 6HQ 0.8727
1034 2SX 0.8726
1035 8VN 0.8725
1036 IP0 0.8725
1037 SG2 0.8725
1038 L3Q 0.8723
1039 3R9 0.8723
1040 7N0 0.8722
1041 2PG 0.8722
1042 ARA 0.8718
1043 0XT 0.8718
1044 40O 0.8718
1045 1LN 0.8716
1046 CAQ 0.8716
1047 TM4 0.8715
1048 QBS 0.8712
1049 8GK 0.8712
1050 9CA 0.8712
1051 9RW 0.8711
1052 P84 0.8711
1053 M0W 0.8711
1054 MZB 0.8711
1055 FBV 0.8710
1056 ASN 0.8710
1057 EN1 0.8709
1058 OTR 0.8706
1059 1MR 0.8706
1060 RMN 0.8705
1061 K32 0.8705
1062 GF4 0.8704
1063 AEF 0.8704
1064 V6F 0.8703
1065 X05 0.8703
1066 TPA 0.8703
1067 428 0.8700
1068 ZBT 0.8699
1069 282 0.8699
1070 6XI 0.8698
1071 PY7 0.8696
1072 PEL 0.8694
1073 KMT 0.8693
1074 60P 0.8691
1075 ORN 0.8690
1076 9X7 0.8690
1077 RPQ 0.8690
1078 20J 0.8689
1079 ICT 0.8688
1080 MQB 0.8688
1081 TGX 0.8688
1082 9AP 0.8687
1083 C2B 0.8686
1084 52C 0.8685
1085 3SL 0.8683
1086 2K8 0.8683
1087 7FF 0.8682
1088 GNL 0.8681
1089 PAF 0.8681
1090 12T 0.8680
1091 I6G 0.8680
1092 MHK 0.8680
1093 CSN 0.8679
1094 XXP 0.8678
1095 64K 0.8676
1096 ARP 0.8674
1097 1IT 0.8674
1098 FFP 0.8674
1099 TRA 0.8673
1100 APS 0.8673
1101 2EH 0.8672
1102 FPK 0.8672
1103 174 0.8672
1104 9PY 0.8672
1105 SMN 0.8670
1106 3MH 0.8669
1107 F3B 0.8669
1108 FBG 0.8669
1109 5XB 0.8667
1110 DHR 0.8665
1111 KP6 0.8665
1112 N3W 0.8664
1113 4JL 0.8661
1114 MPV 0.8661
1115 CIZ 0.8661
1116 GBD 0.8659
1117 NLA 0.8659
1118 NTN 0.8659
1119 GJZ 0.8657
1120 TYL 0.8657
1121 5OF 0.8656
1122 258 0.8655
1123 QSC 0.8654
1124 HIO 0.8654
1125 OXE 0.8651
1126 PNZ 0.8650
1127 MNP 0.8649
1128 XQK 0.8647
1129 L89 0.8645
1130 LER 0.8644
1131 H62 0.8641
1132 IT2 0.8641
1133 2HC 0.8640
1134 VGL 0.8638
1135 E5X 0.8638
1136 YTB 0.8637
1137 ALA PRO 0.8635
1138 JF2 0.8634
1139 JP2 0.8633
1140 ARW 0.8633
1141 LYS 0.8631
1142 NAG 0.8629
1143 FXH 0.8628
1144 67X 0.8627
1145 BML 0.8627
1146 HDH 0.8619
1147 UNJ 0.8616
1148 4BZ 0.8615
1149 2F6 0.8615
1150 PHE 0.8614
1151 YHO 0.8612
1152 DYA 0.8612
1153 QY9 0.8611
1154 XSP 0.8606
1155 4JP 0.8606
1156 PRA 0.8604
1157 CRN 0.8604
1158 CXH 0.8602
1159 259 0.8602
1160 OHP 0.8601
1161 MMA 0.8601
1162 HSE 0.8598
1163 FP2 0.8593
1164 SFU 0.8588
1165 ANN 0.8588
1166 V1T 0.8582
1167 JU2 0.8581
1168 N7P 0.8579
1169 SLC 0.8569
1170 D3M 0.8569
1171 RUU 0.8565
1172 BPN 0.8559
1173 HPY 0.8559
1174 ENL 0.8559
1175 OK7 0.8558
1176 MAJ 0.8557
1177 7MX 0.8554
1178 O7U 0.8551
1179 HSM 0.8546
1180 HC4 0.8545
1181 BNF 0.8544
1182 SYR 0.8539
1183 GJP 0.8539
1184 GDL 0.8533
1185 AHN 0.8532
1186 LG4 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CHR; Ligand: 4NC; 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: 5chr.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CHR; Ligand: 4NC; 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: 5chr.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback