Receptor
PDB id Resolution Class Description Source Keywords
1W1P 2.1 Å EC: 3.2.1.14 CRYSTAL STRUCTURE OF S. MARCESCENS CHITINASE B IN COMPLEX WITH THE CYCLIC DIPEPTIDE INHIBITOR CYCLO-(GLY-L-PRO) AT 2 .1 A RESOLUTION SERRATIA MARCESCENS HYDROLASE GLYCOSIDE HYDROLASE CHITINASE STRUCTURE-BASED INHIBITOR DESIGN CYCLIC DIPEPTIDE
Ref.: STRUCTURE-BASED EXPLORATION OF CYCLIC DIPEPTIDE CHITINASE INHIBITORS J.MED.CHEM. V. 47 5713 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GIO A:1518;
B:1501;
Valid;
Valid;
none;
none;
ic50 = 5 mM
154.166 C7 H10 N2 O2 C1C[C...
GOL A:1499;
A:1500;
A:1501;
A:1502;
A:1503;
A:1504;
A:1505;
A:1506;
A:1507;
A:1508;
A:1509;
A:1510;
A:1511;
A:1512;
A:1513;
A:1514;
A:1515;
A:1516;
A:1517;
B:1500;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1519;
A:1520;
B:1502;
B:1503;
B:1504;
B:1505;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WD1 2.3 Å EC: 3.2.1.14 SERRATIA MARCESCENS CHITINASE B COMPLEXED WITH SYN-TRIAZOLE SERRATIA MARCESCENS TIM BARREL HYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: OBSERVATION OF THE CONTROLLED ASSEMBLY OF PRECLICK COMPONENTS IN THE IN SITU CLICK CHEMISTRY GENERATIO CHITINASE INHIBITOR PROC.NATL.ACAD.SCI.USA V. 110 15892 2013
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3WD4 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
2 6JKF Kd = 0.19 uM BV0 C24 H25 N6 O3 CC1=CC=CN2....
3 1UR9 Ki = 1.7 uM GDL PHJ NAG n/a n/a
4 1W1Y ic50 = 2.4 mM TYP C14 H16 N2 O3 c1cc(ccc1C....
5 6JK9 Ki = 0.41 uM BU0 C27 H25 N5 O2 C[C@@H](c1....
6 1H0G - 0AR DPR HSE HIS UN1 n/a n/a
7 1E6N - NAG NAG NAG NAG NAG n/a n/a
8 4Z2H ic50 = 8.3 uM M6A C33 H57 N5 O10 [H]/N=C(NC....
9 4Z2K - M6E C38 H67 N5 O10 [H]/N=C(/N....
10 3WD2 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
11 1E6Z - NAG NAG n/a n/a
12 7C34 Ki = 11.79 uM BER C20 H18 N O4 COc1ccc2cc....
13 1W1V ic50 = 6.3 mM ALJ C11 H19 N5 O2 C1C[C@H]2C....
14 3WD1 ic50 = 0.022 uM ST7 C37 H41 N11 O4 [H]/N=C(/N....
15 3WD3 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
16 1H0I - VR0 MEA IAS IAS DAL n/a n/a
17 1E6R - NAA AMI NAA n/a n/a
18 4Z2I ic50 = 0.036 uM M6B C34 H59 N5 O10 [H]/N=C(NC....
19 1O6I Ki = 0.65 mM 0HZ C11 H20 N5 O2 NULL
20 1W1P ic50 = 5 mM GIO C7 H10 N2 O2 C1C[C@H]2C....
21 1W1T ic50 = 1.1 mM CHQ C11 H14 N4 O2 c1c([nH]cn....
22 1UR8 Ki = 45 uM GDL NAG n/a n/a
23 4Z2L - M6F C31 H55 N5 O10 [H]/N=C(NC....
24 1OGG Ki = 6.4 uM NAA AMI NAA n/a n/a
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3WD4 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
2 6JKF Kd = 0.19 uM BV0 C24 H25 N6 O3 CC1=CC=CN2....
3 1UR9 Ki = 1.7 uM GDL PHJ NAG n/a n/a
4 1W1Y ic50 = 2.4 mM TYP C14 H16 N2 O3 c1cc(ccc1C....
5 6JK9 Ki = 0.41 uM BU0 C27 H25 N5 O2 C[C@@H](c1....
6 1H0G - 0AR DPR HSE HIS UN1 n/a n/a
7 1E6N - NAG NAG NAG NAG NAG n/a n/a
8 4Z2H ic50 = 8.3 uM M6A C33 H57 N5 O10 [H]/N=C(NC....
9 4Z2K - M6E C38 H67 N5 O10 [H]/N=C(/N....
10 3WD2 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
11 1E6Z - NAG NAG n/a n/a
12 7C34 Ki = 11.79 uM BER C20 H18 N O4 COc1ccc2cc....
13 1W1V ic50 = 6.3 mM ALJ C11 H19 N5 O2 C1C[C@H]2C....
14 3WD1 ic50 = 0.022 uM ST7 C37 H41 N11 O4 [H]/N=C(/N....
15 3WD3 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
16 1H0I - VR0 MEA IAS IAS DAL n/a n/a
17 1E6R - NAA AMI NAA n/a n/a
18 4Z2I ic50 = 0.036 uM M6B C34 H59 N5 O10 [H]/N=C(NC....
19 1O6I Ki = 0.65 mM 0HZ C11 H20 N5 O2 NULL
20 1W1P ic50 = 5 mM GIO C7 H10 N2 O2 C1C[C@H]2C....
21 1W1T ic50 = 1.1 mM CHQ C11 H14 N4 O2 c1c([nH]cn....
22 1UR8 Ki = 45 uM GDL NAG n/a n/a
23 4Z2L - M6F C31 H55 N5 O10 [H]/N=C(NC....
24 1OGG Ki = 6.4 uM NAA AMI NAA n/a n/a
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3WD4 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
2 6JKF Kd = 0.19 uM BV0 C24 H25 N6 O3 CC1=CC=CN2....
3 1UR9 Ki = 1.7 uM GDL PHJ NAG n/a n/a
4 1W1Y ic50 = 2.4 mM TYP C14 H16 N2 O3 c1cc(ccc1C....
5 6JK9 Ki = 0.41 uM BU0 C27 H25 N5 O2 C[C@@H](c1....
6 1H0G - 0AR DPR HSE HIS UN1 n/a n/a
7 1E6N - NAG NAG NAG NAG NAG n/a n/a
8 4Z2H ic50 = 8.3 uM M6A C33 H57 N5 O10 [H]/N=C(NC....
9 4Z2K - M6E C38 H67 N5 O10 [H]/N=C(/N....
10 3WD2 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
11 1E6Z - NAG NAG n/a n/a
12 7C34 Ki = 11.79 uM BER C20 H18 N O4 COc1ccc2cc....
13 1W1V ic50 = 6.3 mM ALJ C11 H19 N5 O2 C1C[C@H]2C....
14 3WD1 ic50 = 0.022 uM ST7 C37 H41 N11 O4 [H]/N=C(/N....
15 3WD3 ic50 = 0.58 uM A1L C24 H31 N9 O3 [H]/N=C(NC....
16 1H0I - VR0 MEA IAS IAS DAL n/a n/a
17 1E6R - NAA AMI NAA n/a n/a
18 4Z2I ic50 = 0.036 uM M6B C34 H59 N5 O10 [H]/N=C(NC....
19 1O6I Ki = 0.65 mM 0HZ C11 H20 N5 O2 NULL
20 1W1P ic50 = 5 mM GIO C7 H10 N2 O2 C1C[C@H]2C....
21 1W1T ic50 = 1.1 mM CHQ C11 H14 N4 O2 c1c([nH]cn....
22 1UR8 Ki = 45 uM GDL NAG n/a n/a
23 4Z2L - M6F C31 H55 N5 O10 [H]/N=C(NC....
24 1OGG Ki = 6.4 uM NAA AMI NAA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GIO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GIO 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GIO; Similar ligands found: 883
No: Ligand Similarity coefficient
1 BTE 0.9770
2 7HP 0.9765
3 HPA 0.9756
4 ADE 0.9748
5 6MP 0.9748
6 BP1 0.9748
7 3MA 0.9730
8 9DA 0.9723
9 9HX 0.9722
10 MT0 0.9719
11 HZQ 0.9703
12 JIF 0.9698
13 PM6 0.9693
14 25W 0.9688
15 ADK 0.9670
16 7WA 0.9645
17 67N 0.9632
18 KYD 0.9631
19 5SG 0.9630
20 SWD 0.9620
21 HQY 0.9616
22 10L 0.9615
23 1NP 0.9614
24 495 0.9610
25 N5J 0.9601
26 G6D 0.9596
27 1SQ 0.9570
28 ES4 0.9566
29 7VS 0.9562
30 5Q0 0.9561
31 1LM 0.9559
32 4YS 0.9557
33 HH8 0.9553
34 JPZ 0.9552
35 JFD 0.9550
36 JBH 0.9549
37 TEP 0.9549
38 7MH 0.9549
39 1LQ 0.9547
40 F5B 0.9547
41 XAN 0.9545
42 GUN 0.9545
43 SAL 0.9544
44 9DG 0.9538
45 ES1 0.9530
46 HLZ 0.9528
47 O72 0.9526
48 ES0 0.9525
49 5IQ 0.9523
50 M0W 0.9521
51 BE2 0.9521
52 M1A 0.9520
53 CWM 0.9519
54 DBJ 0.9518
55 141 0.9518
56 A2F 0.9514
57 290 0.9504
58 XXR 0.9502
59 IGA 0.9501
60 4XH 0.9495
61 FUL 0.9488
62 EQT 0.9481
63 39A 0.9480
64 329 0.9479
65 B53 0.9475
66 AZG 0.9475
67 6AP 0.9475
68 35C 0.9474
69 24W 0.9473
70 AZA 0.9468
71 Q88 0.9467
72 CFP 0.9463
73 VK3 0.9462
74 23A 0.9460
75 NTM 0.9460
76 RNS 0.9459
77 FCB 0.9455
78 T6C 0.9454
79 PHT 0.9452
80 2ZV 0.9443
81 GRE 0.9440
82 6F0 0.9438
83 ES6 0.9430
84 1WD 0.9429
85 37T 0.9429
86 BGC 0.9427
87 1XN 0.9426
88 3WA 0.9426
89 M1H 0.9425
90 KLW 0.9424
91 3U4 0.9413
92 NQ 0.9409
93 INS 0.9408
94 BR8 0.9407
95 DX4 0.9407
96 5WX 0.9405
97 G3F 0.9405
98 RM4 0.9402
99 2D0 0.9401
100 Q6T 0.9400
101 4SV 0.9397
102 JKE 0.9393
103 ISE 0.9393
104 RXA 0.9387
105 YH7 0.9385
106 AKH 0.9384
107 1XM 0.9383
108 XYP 0.9383
109 XQG 0.9382
110 GLC 0.9381
111 12Q 0.9379
112 7NI 0.9378
113 FUC 0.9377
114 RAM 0.9377
115 3IT 0.9376
116 0CU 0.9375
117 FUF 0.9375
118 HH5 0.9372
119 B57 0.9372
120 BOA 0.9372
121 LXC 0.9371
122 JBK 0.9369
123 3HA 0.9369
124 JZ3 0.9369
125 LGC 0.9369
126 MFB 0.9365
127 6CS 0.9365
128 3F0 0.9362
129 6UA 0.9361
130 JBE 0.9358
131 XYS 0.9357
132 GTQ 0.9356
133 0CT 0.9355
134 PE0 0.9354
135 WDL 0.9354
136 0MK 0.9350
137 EXO 0.9350
138 9MG 0.9349
139 5RG 0.9345
140 3M0 0.9345
141 7VJ 0.9342
142 6M1 0.9337
143 12B 0.9333
144 FE DB1 0.9330
145 5QX 0.9330
146 13X 0.9327
147 SVN 0.9327
148 5AN 0.9326
149 HJP 0.9325
150 GBD 0.9322
151 5M0 0.9320
152 7W1 0.9319
153 UNC 0.9319
154 AZ8 0.9318
155 PYQ 0.9317
156 GVH 0.9317
157 3Z7 0.9316
158 GCS 0.9315
159 7HQ 0.9315
160 7WV 0.9315
161 JBQ 0.9314
162 DBH 0.9314
163 FOT 0.9312
164 KJY 0.9311
165 5MK 0.9310
166 0P6 0.9309
167 HFB 0.9304
168 0R1 0.9302
169 6GU 0.9301
170 KJH 0.9299
171 MPI 0.9299
172 IJZ 0.9298
173 BZF 0.9298
174 3RK 0.9295
175 AX2 0.9295
176 F81 0.9292
177 9EW 0.9291
178 8S0 0.9291
179 JUG 0.9290
180 BZI 0.9289
181 GAL 0.9288
182 APZ 0.9287
183 MEW 0.9286
184 LZ1 0.9286
185 ADZ 0.9285
186 TBP 0.9284
187 M1E 0.9282
188 IND 0.9280
189 42C 0.9280
190 PXL 0.9280
191 54G 0.9277
192 YSO 0.9276
193 9TZ 0.9274
194 SX1 0.9273
195 M6N 0.9273
196 LSA 0.9272
197 3AY 0.9268
198 URF 0.9268
199 OXQ 0.9267
200 7B4 0.9265
201 WBU 0.9257
202 9KT 0.9256
203 Q24 0.9255
204 12M 0.9253
205 948 0.9252
206 60P 0.9250
207 AQO 0.9248
208 M5K 0.9245
209 149 0.9244
210 J9W 0.9242
211 FDB 0.9242
212 4HC 0.9242
213 G1O 0.9240
214 F05 0.9239
215 2H5 0.9238
216 2ZX 0.9238
217 B55 0.9237
218 3MC 0.9232
219 NDM 0.9232
220 4JP 0.9230
221 DEN 0.9230
222 HQT 0.9229
223 IDM 0.9227
224 VNJ 0.9225
225 M0Q 0.9224
226 NK 0.9222
227 G4D 0.9220
228 URC 0.9219
229 N7P 0.9218
230 R8V 0.9216
231 I3A 0.9216
232 TDR 0.9215
233 286 0.9213
234 QUZ 0.9213
235 75K 0.9211
236 G5V 0.9210
237 BTY 0.9208
238 7W4 0.9208
239 JZ9 0.9207
240 C2U 0.9207
241 GAG 0.9206
242 MVL 0.9206
243 CFF 0.9205
244 2FG 0.9204
245 NPY 0.9204
246 RIB 0.9203
247 MRW 0.9203
248 FCA 0.9202
249 PYG 0.9200
250 8CM 0.9200
251 ISN 0.9197
252 UEG 0.9195
253 BCP 0.9195
254 TTL 0.9194
255 H33 0.9192
256 NTZ 0.9191
257 CTL 0.9191
258 ERH 0.9190
259 5AC 0.9190
260 HHA 0.9189
261 BCF 0.9189
262 GOG 0.9188
263 FLM 0.9186
264 5ZE 0.9186
265 8TX 0.9185
266 8IG 0.9180
267 HLR 0.9179
268 A7W 0.9179
269 RPQ 0.9178
270 DQN 0.9176
271 1GN 0.9176
272 7ZE 0.9174
273 AJ2 0.9172
274 F0J 0.9171
275 1MC 0.9170
276 3FA 0.9170
277 SHG 0.9169
278 2ZQ 0.9169
279 2A7 0.9169
280 K17 0.9168
281 6AI 0.9165
282 5WY 0.9163
283 MCT 0.9162
284 5WV 0.9162
285 BMA 0.9161
286 CWS 0.9160
287 MBD 0.9160
288 2C9 0.9160
289 ARA 0.9160
290 BBF 0.9159
291 SJ5 0.9159
292 ZVO 0.9158
293 NOJ 0.9157
294 VNL 0.9156
295 GOO 0.9156
296 ARB 0.9152
297 FFP 0.9151
298 YTB 0.9151
299 209 0.9150
300 IV2 0.9150
301 TBS 0.9149
302 NDH 0.9149
303 AZ9 0.9149
304 FBT 0.9147
305 EA1 0.9146
306 0TR 0.9146
307 BZX 0.9145
308 OXC 0.9145
309 A1U 0.9144
310 QOS 0.9144
311 2DR 0.9144
312 KKN 0.9142
313 S76 0.9142
314 680 0.9141
315 MFU 0.9140
316 2CM 0.9140
317 2CK 0.9137
318 GLA 0.9137
319 4PW 0.9134
320 GIV 0.9133
321 270 0.9132
322 AX7 0.9132
323 LI6 0.9131
324 SKA 0.9131
325 KBG 0.9131
326 3SK 0.9130
327 2MY 0.9130
328 MAN 0.9130
329 KUF 0.9129
330 3MH 0.9128
331 YIO 0.9125
332 94B 0.9125
333 B60 0.9124
334 LCN 0.9124
335 GYE 0.9123
336 IFM 0.9120
337 DUB 0.9120
338 P3K 0.9117
339 GAF 0.9116
340 AHR 0.9115
341 ASC 0.9114
342 D07 0.9113
343 I1N 0.9113
344 MWM 0.9111
345 ES7 0.9111
346 PXM 0.9110
347 V55 0.9110
348 PFB 0.9108
349 KT7 0.9108
350 GMN 0.9108
351 5JQ 0.9106
352 5JL 0.9104
353 4ZE 0.9103
354 IPZ 0.9103
355 DIN 0.9102
356 KIA 0.9100
357 6KX 0.9099
358 HQD 0.9098
359 GTL 0.9097
360 64K 0.9096
361 QBK 0.9096
362 PYD 0.9096
363 ICP 0.9096
364 F3B 0.9095
365 2MI 0.9095
366 AUD 0.9095
367 M1Q 0.9093
368 260 0.9093
369 FHN 0.9092
370 5CL 0.9090
371 FBV 0.9090
372 3C1 0.9090
373 5UC 0.9088
374 FPK 0.9088
375 4HO 0.9087
376 XAZ 0.9086
377 XBZ 0.9085
378 3Z8 0.9085
379 2MN 0.9084
380 0R0 0.9082
381 ORO 0.9082
382 6MH 0.9080
383 MBG 0.9080
384 GT0 0.9079
385 DRL 0.9079
386 2AC 0.9079
387 SWA 0.9079
388 1WG 0.9078
389 IBF 0.9078
390 X6X 0.9078
391 FYU 0.9074
392 5NU 0.9073
393 3MG 0.9073
394 IFL 0.9072
395 HNQ 0.9072
396 HY3 0.9070
397 3CE 0.9070
398 QPR 0.9070
399 2MP 0.9068
400 OXZ 0.9068
401 DIE 0.9068
402 5CU 0.9067
403 UAN 0.9066
404 MO8 0.9065
405 15L 0.9063
406 WOO 0.9063
407 AFR 0.9062
408 F60 0.9062
409 BDP 0.9058
410 34A 0.9058
411 XYD 0.9057
412 4CL 0.9055
413 2K4 0.9055
414 14O 0.9053
415 5MB 0.9052
416 MSN 0.9051
417 DFB 0.9050
418 ASO 0.9050
419 ALL 0.9050
420 3C2 0.9050
421 AZF 0.9050
422 X09 0.9050
423 ENL 0.9049
424 5H1 0.9047
425 ES9 0.9047
426 GOX 0.9044
427 0N7 0.9043
428 PCI 0.9041
429 7CZ 0.9040
430 GXL 0.9038
431 DOR 0.9037
432 DPZ 0.9037
433 3XX 0.9037
434 6M4 0.9036
435 INE 0.9036
436 R8A 0.9034
437 32X 0.9031
438 8WT 0.9030
439 G2F 0.9030
440 NBZ 0.9030
441 NCA 0.9030
442 AMG 0.9029
443 N8P 0.9029
444 EYK 0.9029
445 6M9 0.9028
446 5MI 0.9028
447 F12 0.9028
448 6LW 0.9028
449 5RN 0.9028
450 DHK 0.9027
451 3ID 0.9027
452 82I 0.9027
453 3DO 0.9026
454 JAE 0.9026
455 3FH 0.9025
456 0RW 0.9025
457 TH0 0.9024
458 K8X 0.9024
459 1PT 0.9023
460 FPY 0.9022
461 BHA 0.9022
462 PHH 0.9021
463 4JJ 0.9021
464 HTP 0.9019
465 11S 0.9019
466 JZ2 0.9018
467 2YU 0.9015
468 GDE 0.9015
469 EUG 0.9015
470 4M4 0.9015
471 2XX 0.9014
472 BEZ 0.9011
473 5MH 0.9008
474 3NT 0.9007
475 KIB 0.9007
476 CTS 0.9007
477 4M0 0.9006
478 H4N 0.9006
479 261 0.9005
480 1P7 0.9005
481 8XQ 0.9005
482 QAS 0.9004
483 43M 0.9003
484 GAB 0.9002
485 GTZ 0.9002
486 ADA 0.9002
487 FK1 0.9000
488 NIO 0.9000
489 DHQ 0.8998
490 ABV 0.8995
491 HT4 0.8992
492 PX7 0.8991
493 QAT 0.8991
494 0W8 0.8988
495 URA 0.8988
496 MT5 0.8987
497 FA0 0.8986
498 GIM 0.8986
499 BR9 0.8986
500 MZG 0.8986
501 27Y 0.8985
502 RSF 0.8985
503 TM7 0.8984
504 SOE 0.8983
505 GLF 0.8983
506 FB1 0.8981
507 4CS 0.8981
508 DIU 0.8981
509 TCZ 0.8979
510 ZZ3 0.8977
511 DOB 0.8977
512 8NY 0.8977
513 KOJ 0.8975
514 SHA 0.8971
515 4JO 0.8971
516 3HB 0.8970
517 CRS 0.8970
518 26D 0.8969
519 4AA 0.8969
520 DBX 0.8968
521 34D 0.8965
522 LKA 0.8965
523 LZM 0.8964
524 SEJ 0.8963
525 NID 0.8963
526 ZWZ 0.8963
527 3AB 0.8962
528 TM4 0.8961
529 NOY 0.8960
530 FP1 0.8960
531 5JC 0.8959
532 NEQ 0.8957
533 HMU 0.8957
534 OVV 0.8956
535 XQ0 0.8956
536 DMJ 0.8955
537 4HM 0.8955
538 IUR 0.8955
539 RIP 0.8954
540 8GC 0.8954
541 FH2 0.8953
542 Z6J 0.8952
543 9TY 0.8950
544 MAQ 0.8949
545 AEZ 0.8949
546 PA1 0.8949
547 SRO 0.8948
548 GLY PRO 0.8945
549 GCB 0.8944
550 HMH 0.8943
551 BEN 0.8943
552 GZ8 0.8942
553 FUB 0.8941
554 AW5 0.8941
555 DMD 0.8939
556 MNM 0.8938
557 4ZC 0.8933
558 3BZ 0.8932
559 GCU 0.8932
560 FDK 0.8931
561 DFU 0.8931
562 GM7 0.8927
563 CIT 0.8926
564 7WR 0.8924
565 TTY 0.8924
566 3DM 0.8924
567 GTR 0.8924
568 CYT 0.8922
569 RHU 0.8922
570 GJS 0.8921
571 94N 0.8920
572 MWJ 0.8920
573 IP0 0.8920
574 COU 0.8919
575 RCO 0.8918
576 EJZ 0.8916
577 XHP 0.8916
578 6PC 0.8915
579 TH7 0.8912
580 SXS 0.8911
581 03V 0.8910
582 1U1 0.8909
583 QX2 0.8909
584 FRU 0.8909
585 BDF 0.8908
586 1XX 0.8907
587 EVA 0.8907
588 BEA 0.8907
589 VGL 0.8907
590 2AQ 0.8906
591 HX3 0.8906
592 6HQ 0.8905
593 X05 0.8904
594 IF7 0.8902
595 3R6 0.8902
596 L3Q 0.8901
597 06B 0.8900
598 53C 0.8900
599 DEE 0.8899
600 TFU 0.8899
601 HXX 0.8898
602 PZA 0.8898
603 MUA 0.8898
604 4ME 0.8897
605 5B1 0.8895
606 E7Z 0.8895
607 1DW 0.8895
608 PAF 0.8893
609 WCE 0.8892
610 R8S 0.8891
611 0FN 0.8891
612 JZ1 0.8890
613 K22 0.8888
614 D1X 0.8887
615 BHO 0.8886
616 TLD 0.8885
617 GIF 0.8885
618 AIN 0.8882
619 IDH 0.8882
620 86J 0.8880
621 2CQ 0.8879
622 JKZ 0.8878
623 URQ 0.8876
624 150 0.8876
625 LG3 0.8875
626 LG5 0.8874
627 GYP 0.8873
628 BK9 0.8871
629 CAQ 0.8870
630 4Z4 0.8870
631 4NC 0.8870
632 8GF 0.8869
633 BVF 0.8869
634 B62 0.8869
635 LYL 0.8868
636 4FS 0.8868
637 KPL 0.8867
638 GLT 0.8866
639 1P8 0.8865
640 7D2 0.8864
641 5HN 0.8864
642 K32 0.8862
643 PRF 0.8861
644 UNU 0.8859
645 ES5 0.8857
646 JB5 0.8856
647 NNO 0.8856
648 FSW 0.8855
649 36R 0.8854
650 42A 0.8853
651 284 0.8852
652 AGK 0.8852
653 LRH 0.8850
654 4XR 0.8849
655 HA7 0.8848
656 K6X 0.8848
657 UQ 0.8847
658 2AF 0.8847
659 BRT 0.8846
660 FP2 0.8845
661 ICO 0.8845
662 INO 0.8845
663 I6G 0.8845
664 1U6 0.8843
665 47J 0.8842
666 BAM 0.8842
667 92Z 0.8841
668 CGB 0.8840
669 282 0.8838
670 HBX 0.8838
671 293 0.8837
672 YQA 0.8837
673 OCH 0.8834
674 3MB 0.8833
675 44W 0.8833
676 QX4 0.8833
677 YCP 0.8830
678 GCW 0.8830
679 TRA 0.8830
680 OTW 0.8829
681 MZB 0.8829
682 PRZ 0.8828
683 D3M 0.8828
684 PBE 0.8828
685 DHB 0.8828
686 MA3 0.8827
687 Y8I 0.8826
688 XM0 0.8824
689 8LG 0.8823
690 1P3 0.8823
691 3OC 0.8822
692 3CH 0.8822
693 1AN 0.8821
694 TAR 0.8821
695 SF9 0.8821
696 MMA 0.8820
697 MYJ 0.8819
698 CLW 0.8816
699 CIG 0.8815
700 SYN 0.8814
701 2HO 0.8814
702 1X7 0.8812
703 76X 0.8812
704 M58 0.8812
705 L89 0.8811
706 SFU 0.8810
707 FGZ 0.8809
708 H42 0.8808
709 NPO 0.8808
710 XX2 0.8807
711 DQU 0.8807
712 NTN 0.8804
713 ZZT 0.8804
714 DGJ 0.8802
715 NK2 0.8801
716 5OB 0.8800
717 P9P 0.8798
718 PBC 0.8798
719 3ZQ 0.8797
720 4XV 0.8797
721 2EC 0.8793
722 ABE 0.8792
723 F4Z 0.8791
724 EKZ 0.8791
725 JZ0 0.8791
726 4A3 0.8791
727 44V 0.8790
728 R2B 0.8789
729 MWP 0.8788
730 NMJ 0.8788
731 93Q 0.8785
732 FHB 0.8783
733 4MU 0.8783
734 REL 0.8782
735 SKM 0.8779
736 OXE 0.8779
737 24B 0.8779
738 93K 0.8779
739 RM1 0.8778
740 8H8 0.8778
741 TOF 0.8778
742 5VM 0.8777
743 DUC 0.8777
744 275 0.8772
745 ARW 0.8770
746 HIO 0.8768
747 UFO 0.8768
748 KBB 0.8766
749 32O 0.8766
750 40O 0.8762
751 QSH 0.8760
752 FBG 0.8759
753 OMD 0.8758
754 HGQ 0.8758
755 MVN 0.8758
756 3HM 0.8758
757 TMT 0.8757
758 HPY 0.8755
759 H6B 0.8755
760 H76 0.8754
761 2AK 0.8754
762 ET2 0.8754
763 QSC 0.8754
764 4XS 0.8751
765 AC0 0.8751
766 TLA 0.8751
767 0FO 0.8748
768 PDC 0.8747
769 LMR 0.8747
770 SOR 0.8746
771 TMZ 0.8745
772 BEW 0.8745
773 FLC 0.8745
774 ES2 0.8743
775 ZB1 0.8743
776 PHB 0.8742
777 ALO 0.8739
778 2HQ 0.8739
779 PSV 0.8739
780 PQ0 0.8737
781 CN0 0.8736
782 45C 0.8734
783 VOH 0.8734
784 95Z 0.8734
785 CHB 0.8733
786 1AB 0.8731
787 MAK 0.8730
788 23J 0.8728
789 BNT 0.8728
790 6VD 0.8728
791 ECE 0.8727
792 ICC 0.8726
793 NSP 0.8725
794 3R9 0.8725
795 AH8 0.8725
796 O2A 0.8724
797 B3R 0.8723
798 LFR 0.8722
799 4H2 0.8720
800 NCD 0.8719
801 RUU 0.8718
802 4XX 0.8718
803 G3E 0.8718
804 JND 0.8715
805 F1A 0.8715
806 2CH 0.8711
807 G2H 0.8710
808 V6F 0.8707
809 FLV 0.8704
810 FBB 0.8704
811 6ME 0.8702
812 Z82 0.8702
813 GV9 0.8700
814 Z5P 0.8700
815 II6 0.8699
816 938 0.8698
817 A13 0.8696
818 18N 0.8694
819 ZZ8 0.8693
820 TC7 0.8692
821 HBA 0.8691
822 280 0.8690
823 B0D 0.8689
824 SF6 0.8689
825 ABN 0.8688
826 QSB 0.8687
827 BZ3 0.8687
828 HTS 0.8680
829 OA3 0.8680
830 IFP 0.8676
831 9TW 0.8675
832 2AL 0.8674
833 MLT 0.8673
834 PAB 0.8671
835 O7U 0.8670
836 YHO 0.8667
837 FA3 0.8665
838 OAA 0.8664
839 DNC 0.8663
840 SYA 0.8661
841 JXN 0.8659
842 IPB 0.8656
843 EV0 0.8656
844 2PG 0.8655
845 FPI 0.8648
846 51R 0.8647
847 FLA 0.8646
848 LT2 0.8645
849 MS9 0.8644
850 23W 0.8642
851 4JT 0.8641
852 H62 0.8639
853 SVD 0.8636
854 JTH 0.8635
855 9PY 0.8630
856 IHB 0.8628
857 SYV 0.8620
858 1MR 0.8613
859 5RO 0.8613
860 KP6 0.8612
861 PZI 0.8611
862 97T 0.8609
863 226 0.8608
864 AS3 0.8605
865 SS1 0.8603
866 VAL 0.8600
867 1Y6 0.8587
868 F31 0.8585
869 4MA 0.8578
870 4VP 0.8577
871 QIC 0.8577
872 Q7A 0.8566
873 6JN 0.8565
874 6X8 0.8560
875 OEM 0.8555
876 4CH 0.8552
877 7B3 0.8552
878 ASN 0.8549
879 4TU 0.8542
880 XYL 0.8537
881 KJU 0.8531
882 ASP 0.8521
883 LDP 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WD1; Ligand: ST7; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3wd1.bio1) has 72 residues
No: Leader PDB Ligand Sequence Similarity
1 5Y2C NAG NAG NAG NAG NAG 39.6867
2 1NWU NAG NAG NAG NDG 47.7901
Pocket No.: 2; Query (leader) PDB : 3WD1; Ligand: ST7; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 3wd1.bio2) has 72 residues
No: Leader PDB Ligand Sequence Similarity
1 6JMN BV0 32.7968
2 5Y2C NAG NAG NAG NAG NAG 39.6867
3 6HM1 AO3 42.75
4 1NWU NAG NAG NAG NDG 47.7901
5 6KXL NAG 48.9247
Pocket No.: 3; Query (leader) PDB : 3WD1; Ligand: ST7; 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: 3wd1.bio2) has 72 residues
No: Leader PDB Ligand Sequence Similarity
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