Receptor
PDB id Resolution Class Description Source Keywords
4M81 1.86 Å EC: 3.2.1.58 THE STRUCTURE OF E292S GLYCOSYNTHASE VARIANT OF EXO-1,3-BETA FROM CANDIDA ALBICANS COMPLEXED WITH 1-FLUORO-ALPHA-D-GLUCO( DONOR) AND P-NITROPHENYL BETA-D-GLUCOPYRANOSIDE (ACCEPTOR)RE SOLUTION CANDIDA ALBICANS TIM BARREL GLYCOSIDE HYDROLASE FAMILY 5 GLYCOSIDE HYDROLASWALL HYDROLASE GLYCOSYNTHASE HYDROLASE PROTEIN-CARBOHYDRINTERACTION
Ref.: MAJOR CHANGE IN REGIOSPECIFICITY FOR THE EXO-1,3-BETA-GLUCANASE FROM CANDIDA ALBICANS FOLLOW CONVERSION TO A GLYCOSYNTHASE. BIOCHEMISTRY V. 53 3318 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLF A:501;
 Valid;
 none;
 submit data
182.147 C6 H11 F O5 C([C@...
GOL A:503;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
PNW A:502;
 Valid;
 none;
 submit data
301.249 C12 H15 N O8 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M82 1.59 Å EC: 3.2.1.58 THE STRUCTURE OF E292S GLYCOSYNTHASE VARIANT OF EXO-1,3-BETA FROM CANDIDA ALBICANS COMPLEXED WITH P-NITROPHENYL-GENTIOBI( PRODUCT) AT 1.6A RESOLUTION CANDIDA ALBICANS TIM BARREL GLYCOSIDE HYDROLASE FAMILY 5 GLYCOSIDE HYDROLASWALL HYDROLASE GLYCOSYNTHASE HYDROLASE PROTEIN-CARBOHYDRINTERACTION
Ref.: MAJOR CHANGE IN REGIOSPECIFICITY FOR THE EXO-1,3-BETA-GLUCANASE FROM CANDIDA ALBICANS FOLLOW CONVERSION TO A GLYCOSYNTHASE. BIOCHEMISTRY V. 53 3318 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PB1 - NFG C12 H13 F N2 O9 c1cc(c(cc1....
2 4M82 - NGB C18 H25 N O13 c1cc(ccc1[....
3 2PC8 - BGC C6 H12 O6 C([C@@H]1[....
4 3N9K - BGC BGC BGC n/a n/a
5 4M81 - PNW C12 H15 N O8 c1cc(ccc1[....
6 1EQC - CTS C8 H15 N O4 C1C[N@]2C[....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PB1 - NFG C12 H13 F N2 O9 c1cc(c(cc1....
2 4M82 - NGB C18 H25 N O13 c1cc(ccc1[....
3 2PC8 - BGC C6 H12 O6 C([C@@H]1[....
4 3N9K - BGC BGC BGC n/a n/a
5 4M81 - PNW C12 H15 N O8 c1cc(ccc1[....
6 1EQC - CTS C8 H15 N O4 C1C[N@]2C[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PB1 - NFG C12 H13 F N2 O9 c1cc(c(cc1....
2 4M82 - NGB C18 H25 N O13 c1cc(ccc1[....
3 2PC8 - BGC C6 H12 O6 C([C@@H]1[....
4 3N9K - BGC BGC BGC n/a n/a
5 4M81 - PNW C12 H15 N O8 c1cc(ccc1[....
6 1EQC - CTS C8 H15 N O4 C1C[N@]2C[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLF; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 GLF 1 1
2 GLC 0.428571 0.84375
3 BGC GAL 0.428571 0.84375
4 MAN 0.428571 0.84375
5 BGC 0.428571 0.84375
6 GIV 0.428571 0.84375
7 GAL 0.428571 0.84375
8 GLC GLC 0.428571 0.84375
9 GAL GAL 0.428571 0.84375
10 ALL 0.428571 0.84375
11 GXL 0.428571 0.84375
12 WOO 0.428571 0.84375
13 BMA 0.428571 0.84375
14 GLA 0.428571 0.84375
15 YIO 0.416667 0.794118
16 AHR 0.40625 0.735294
17 RIB 0.40625 0.735294
18 32O 0.40625 0.735294
19 Z6J 0.40625 0.735294
20 FUB 0.40625 0.735294
21 BDR 0.40625 0.735294
Ligand no: 2; Ligand: PNW; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA NPO 1 1
2 NBZ GLA 1 1
3 PNA 1 1
4 PNW 1 1
5 MBE 1 1
6 147 1 1
7 PNG 1 1
8 KHP 0.895833 0.924528
9 NGB 0.754098 0.962264
10 NPJ 0.725806 0.962264
11 NSQ 0.706897 0.731343
12 RCB 0.703125 0.962264
13 GAA 0.661017 0.980769
14 PNJ 0.644068 0.910714
15 GAT 0.62963 0.716981
16 JFZ 0.614035 0.846154
17 GAL PHB 0.614035 0.634615
18 56N 0.611111 0.647059
19 LEC 0.590909 0.836066
20 6ZC 0.590909 0.836066
21 3XN 0.589041 0.809524
22 XTG 0.577465 0.862069
23 A2G NPO GAL 0.575342 0.809524
24 C3G 0.57377 0.830189
25 3X8 0.566667 0.622642
26 HNW 0.548387 0.611111
27 145 0.53125 0.962264
28 LAM 0.530864 0.910714
29 GLA BEZ 0.507692 0.653846
30 6Y2 0.493671 0.796875
31 LEC NGA 0.493671 0.796875
32 BDP NPO NDG BDP NDG 0.442105 0.796875
33 DCB 0.432099 0.822581
34 BDP NPO GNS BDP 0.431579 0.675676
35 SA0 0.430769 0.622642
36 BDP NPO GNS BDP GNS BDP GNS 0.427083 0.689189
37 6GR 0.426471 0.641509
38 A24 0.425287 0.689189
39 1DM 0.425287 0.68
40 NFG 0.424658 0.836066
41 M2F 0.424658 0.836066
42 7KP 0.410959 0.622642
43 04G GAL 0.407895 0.637931
44 MBF NIN BMA BMA 0.406977 0.822581
45 A32 0.406593 0.689189
46 XYS NPO XYS 0.405405 0.907407
47 AI1 0.4 0.610169
Similar Ligands (3D)
Ligand no: 1; Ligand: GLF; Similar ligands found: 751
No: Ligand Similarity coefficient
1 PA1 0.9992
2 G2F 0.9988
3 94B 0.9801
4 GCS 0.9725
5 NOJ 0.9718
6 G3F 0.9714
7 GCU 0.9714
8 ZB1 0.9702
9 GYP 0.9701
10 LCN 0.9662
11 LGC 0.9639
12 95Z 0.9636
13 GLT 0.9622
14 MA3 0.9603
15 G4D 0.9595
16 GAF 0.9571
17 ASO 0.9560
18 X6X 0.9560
19 DMJ 0.9558
20 948 0.9557
21 BDP 0.9547
22 NOY 0.9538
23 SHG 0.9538
24 KBG 0.9535
25 IFM 0.9522
26 RM4 0.9510
27 2H5 0.9506
28 LXC 0.9500
29 4AA 0.9492
30 329 0.9491
31 3RK 0.9490
32 LKA 0.9486
33 MMA 0.9481
34 8S0 0.9475
35 IFL 0.9470
36 XYS 0.9459
37 AFR 0.9459
38 B57 0.9451
39 RNS 0.9446
40 ARB 0.9444
41 FUL 0.9434
42 XXR 0.9433
43 FYU 0.9427
44 KJY 0.9425
45 MNM 0.9414
46 SOE 0.9413
47 PXM 0.9410
48 DBH 0.9404
49 FUC 0.9396
50 FH2 0.9392
51 5QX 0.9388
52 XYP 0.9387
53 2FG 0.9385
54 GCV 0.9376
55 1GN 0.9375
56 AZF 0.9373
57 TTL 0.9372
58 FCB 0.9368
59 OXZ 0.9367
60 Q88 0.9364
61 HMU 0.9364
62 INS 0.9362
63 GOO 0.9361
64 ADA 0.9360
65 DFB 0.9356
66 DHK 0.9354
67 MBG 0.9352
68 ZZT 0.9351
69 DGJ 0.9351
70 FUF 0.9350
71 3HA 0.9344
72 64K 0.9344
73 R8V 0.9341
74 EVA 0.9334
75 MFB 0.9334
76 IF7 0.9328
77 CGB 0.9328
78 3MG 0.9327
79 82I 0.9322
80 AMG 0.9317
81 PXL 0.9313
82 FRU 0.9313
83 ZWZ 0.9311
84 PFB 0.9310
85 I1N 0.9309
86 3F0 0.9306
87 RAM 0.9305
88 GCB 0.9302
89 SWA 0.9301
90 BDF 0.9300
91 DQN 0.9299
92 25W 0.9298
93 3IT 0.9297
94 BTE 0.9290
95 XAN 0.9289
96 UEG 0.9287
97 2GS 0.9286
98 X09 0.9286
99 0MK 0.9285
100 1LQ 0.9284
101 LYL 0.9282
102 ARA 0.9281
103 7D2 0.9279
104 HJP 0.9277
105 FOT 0.9274
106 HMH 0.9272
107 FCA 0.9270
108 RPQ 0.9268
109 KOJ 0.9267
110 8H8 0.9264
111 GIF 0.9261
112 3M0 0.9258
113 3XX 0.9258
114 IJZ 0.9257
115 T6C 0.9255
116 SYV 0.9251
117 NSP 0.9251
118 6KX 0.9251
119 TEP 0.9250
120 V55 0.9248
121 P9P 0.9247
122 G6D 0.9245
123 B53 0.9245
124 3DM 0.9244
125 DOB 0.9244
126 3WA 0.9244
127 FDK 0.9241
128 LSA 0.9239
129 PSV 0.9237
130 MVL 0.9234
131 5CU 0.9234
132 ABE 0.9232
133 HPA 0.9232
134 DHB 0.9232
135 CN0 0.9229
136 GUN 0.9225
137 FA0 0.9219
138 5NU 0.9215
139 URC 0.9214
140 4NC 0.9210
141 AGK 0.9210
142 7MH 0.9208
143 BHA 0.9207
144 ISE 0.9206
145 HX3 0.9204
146 RIP 0.9204
147 149 0.9200
148 TH7 0.9200
149 INO 0.9200
150 3DO 0.9195
151 9MG 0.9194
152 Q6T 0.9194
153 CTS 0.9175
154 MYJ 0.9174
155 4XR 0.9171
156 SAL 0.9171
157 BZX 0.9171
158 ADE 0.9166
159 GLG 0.9163
160 MZB 0.9161
161 I3A 0.9160
162 SJ5 0.9159
163 JZ3 0.9158
164 5RG 0.9158
165 0P6 0.9157
166 5WX 0.9155
167 GRE 0.9153
168 LRH 0.9153
169 9DG 0.9152
170 24B 0.9150
171 261 0.9145
172 WBU 0.9141
173 KIA 0.9140
174 5M0 0.9139
175 2XX 0.9138
176 EXO 0.9138
177 KIB 0.9136
178 289 0.9134
179 URF 0.9131
180 260 0.9129
181 3Z8 0.9128
182 6F0 0.9128
183 HHA 0.9125
184 4PW 0.9122
185 8TX 0.9119
186 7B4 0.9118
187 7HP 0.9118
188 BE2 0.9118
189 2M5 0.9115
190 HBA 0.9115
191 4HC 0.9115
192 0R0 0.9114
193 293 0.9114
194 HTP 0.9111
195 FP1 0.9110
196 ARW 0.9108
197 NDG 0.9104
198 F81 0.9101
199 PYG 0.9099
200 TFU 0.9096
201 GTQ 0.9096
202 MFU 0.9094
203 IPB 0.9092
204 54G 0.9091
205 EUG 0.9090
206 6M1 0.9089
207 SKM 0.9089
208 7VJ 0.9088
209 4M0 0.9087
210 GTR 0.9085
211 JTH 0.9085
212 HH5 0.9083
213 GOX 0.9081
214 DFU 0.9079
215 3CU 0.9078
216 9TZ 0.9075
217 0FN 0.9075
218 YTB 0.9075
219 42C 0.9074
220 SHA 0.9073
221 YSO 0.9073
222 KP6 0.9072
223 5DI 0.9072
224 1LN 0.9071
225 B0D 0.9071
226 EMZ 0.9071
227 1U6 0.9069
228 3U4 0.9068
229 ZXD 0.9067
230 SXS 0.9065
231 286 0.9064
232 SEJ 0.9064
233 12Q 0.9064
234 C2U 0.9063
235 AKH 0.9063
236 ES6 0.9062
237 MSN 0.9061
238 3SK 0.9061
239 1PT 0.9056
240 DZX 0.9056
241 2CK 0.9055
242 MT5 0.9054
243 7HQ 0.9050
244 BSX 0.9048
245 LDP 0.9045
246 PRY 0.9044
247 Q24 0.9038
248 6HQ 0.9038
249 JZ4 0.9037
250 4XV 0.9037
251 NPO 0.9037
252 ICO 0.9036
253 ORO 0.9034
254 SF9 0.9033
255 K3Q 0.9033
256 K5W 0.9033
257 NK 0.9032
258 FHN 0.9031
259 4VP 0.9029
260 F0J 0.9028
261 AH8 0.9026
262 R8A 0.9025
263 HQT 0.9020
264 23A 0.9020
265 24W 0.9018
266 KPL 0.9018
267 NTZ 0.9017
268 7VS 0.9017
269 X05 0.9015
270 F05 0.9014
271 TLA 0.9013
272 5MK 0.9012
273 KJH 0.9011
274 FX1 0.9007
275 XIY 0.9007
276 DOR 0.9006
277 DIU 0.9004
278 DEE 0.9003
279 67N 0.9003
280 7CZ 0.9002
281 H62 0.9001
282 JZ1 0.9001
283 G5V 0.9000
284 GZL 0.9000
285 7W1 0.9000
286 HLZ 0.8999
287 FSW 0.8998
288 B62 0.8998
289 2ZQ 0.8996
290 URQ 0.8994
291 MS9 0.8992
292 GYE 0.8990
293 M1E 0.8986
294 SFU 0.8986
295 GIO 0.8983
296 1WD 0.8983
297 RM1 0.8982
298 6CS 0.8979
299 DIG 0.8979
300 9PY 0.8975
301 6LW 0.8975
302 HXX 0.8974
303 JKE 0.8974
304 PRF 0.8972
305 ISD 0.8970
306 2TQ 0.8965
307 LNR 0.8965
308 SRT 0.8964
309 EYK 0.8963
310 E7Z 0.8961
311 IDM 0.8961
312 CWM 0.8959
313 AUD 0.8958
314 39A 0.8957
315 23J 0.8957
316 XQG 0.8956
317 LFR 0.8954
318 SWD 0.8953
319 KYD 0.8951
320 M1A 0.8950
321 717 0.8947
322 DIE 0.8945
323 D3M 0.8944
324 4XS 0.8939
325 VOH 0.8935
326 ZZ3 0.8934
327 XM0 0.8932
328 1NP 0.8932
329 15L 0.8931
330 DBJ 0.8930
331 PRZ 0.8930
332 KGK 0.8930
333 4HM 0.8929
334 JIF 0.8929
335 FBT 0.8926
336 6M4 0.8926
337 H76 0.8923
338 57O 0.8922
339 PAF 0.8921
340 LMR 0.8921
341 VNJ 0.8921
342 HQY 0.8921
343 A7W 0.8920
344 ES1 0.8918
345 CTL 0.8918
346 FE DB1 0.8916
347 5FN 0.8915
348 IDH 0.8914
349 N5J 0.8913
350 5WV 0.8912
351 NTM 0.8910
352 ISN 0.8910
353 F5B 0.8910
354 1SQ 0.8909
355 SF6 0.8908
356 5Q0 0.8908
357 EDG 0.8907
358 XXP 0.8906
359 BNT 0.8906
360 RUU 0.8906
361 2LP 0.8906
362 IFP 0.8905
363 NEQ 0.8905
364 2CZ 0.8905
365 NGT 0.8903
366 2CL 0.8903
367 NGW 0.8901
368 5SG 0.8900
369 M0W 0.8899
370 3FH 0.8899
371 9KH 0.8899
372 ES0 0.8898
373 IPZ 0.8896
374 M1H 0.8895
375 2EC 0.8892
376 12M 0.8892
377 1LM 0.8891
378 4JT 0.8891
379 FA3 0.8891
380 O72 0.8890
381 44V 0.8889
382 RAT 0.8888
383 MLT 0.8888
384 6ME 0.8888
385 X0V 0.8888
386 XX2 0.8888
387 N7P 0.8887
388 GTL 0.8884
389 GIM 0.8883
390 LDU 0.8883
391 PZI 0.8883
392 PHT 0.8883
393 0LH 0.8881
394 ASC 0.8880
395 2A7 0.8880
396 5GU 0.8880
397 HH8 0.8879
398 SYA 0.8879
399 NGO 0.8878
400 4P0 0.8875
401 2MN 0.8873
402 JBH 0.8873
403 4YS 0.8872
404 GT0 0.8871
405 MR1 0.8870
406 R9S 0.8866
407 UNC 0.8866
408 H42 0.8866
409 TTY 0.8865
410 EKZ 0.8865
411 5IQ 0.8864
412 JPZ 0.8863
413 4Z4 0.8863
414 CAX 0.8862
415 JBQ 0.8861
416 AZA 0.8861
417 L3Q 0.8860
418 4JL 0.8858
419 MO8 0.8857
420 RSF 0.8856
421 NDH 0.8855
422 4RW 0.8854
423 06B 0.8852
424 ES7 0.8851
425 FBA 0.8851
426 KFH 0.8850
427 QIC 0.8847
428 KKN 0.8845
429 GTZ 0.8844
430 GCW 0.8844
431 FB1 0.8843
432 SVD 0.8840
433 ISZ 0.8837
434 4XH 0.8836
435 BK9 0.8835
436 PYQ 0.8833
437 2A9 0.8833
438 4SV 0.8831
439 6AP 0.8831
440 MRW 0.8830
441 OA3 0.8829
442 BBF 0.8827
443 2AL 0.8826
444 HNQ 0.8825
445 LT2 0.8825
446 OHP 0.8824
447 ABV 0.8822
448 AX7 0.8822
449 5WY 0.8822
450 HFB 0.8822
451 0TR 0.8821
452 GLY PRO 0.8821
453 2ZV 0.8820
454 PE0 0.8818
455 42J 0.8818
456 FFP 0.8817
457 MT0 0.8817
458 270 0.8817
459 M1Q 0.8816
460 4ME 0.8813
461 L7T 0.8813
462 SYG 0.8812
463 DQA 0.8811
464 FDB 0.8810
465 1XM 0.8809
466 A2F 0.8809
467 TSS 0.8809
468 IBF 0.8809
469 3MC 0.8809
470 COU 0.8808
471 BCF 0.8808
472 MCT 0.8807
473 EOL 0.8807
474 NNO 0.8807
475 3FA 0.8806
476 NPY 0.8805
477 JFD 0.8805
478 AZ8 0.8804
479 141 0.8804
480 FBV 0.8804
481 6JN 0.8804
482 N8P 0.8804
483 FA1 0.8804
484 RNT 0.8803
485 7W4 0.8802
486 QAT 0.8799
487 CIT 0.8799
488 LZM 0.8798
489 2MY 0.8797
490 MEW 0.8797
491 FLM 0.8796
492 ADZ 0.8795
493 MZG 0.8795
494 7NI 0.8794
495 MBD 0.8792
496 3MA 0.8790
497 BOA 0.8790
498 03V 0.8789
499 GMN 0.8789
500 2C9 0.8789
501 HIO 0.8788
502 9HX 0.8787
503 RXR 0.8786
504 BCU 0.8785
505 F34 0.8784
506 2CM 0.8784
507 ADK 0.8783
508 3OC 0.8783
509 IP0 0.8782
510 IGA 0.8782
511 XQ0 0.8780
512 4HO 0.8780
513 C2A 0.8780
514 6MH 0.8780
515 XLS 0.8780
516 SVN 0.8779
517 FPK 0.8779
518 NAG 0.8779
519 A65 0.8779
520 JBK 0.8778
521 4M4 0.8777
522 FLC 0.8777
523 0W8 0.8775
524 ROR 0.8775
525 GXY 0.8774
526 EQT 0.8773
527 BR9 0.8771
528 AOS 0.8771
529 1XX 0.8771
530 AEZ 0.8770
531 NOK 0.8770
532 SX1 0.8770
533 M5K 0.8769
534 BHO 0.8769
535 MWJ 0.8769
536 HA7 0.8768
537 AS3 0.8768
538 DIN 0.8768
539 0CU 0.8768
540 4JJ 0.8765
541 QUZ 0.8764
542 5QY 0.8763
543 DX4 0.8763
544 495 0.8763
545 SYN 0.8762
546 SR1 0.8762
547 XBZ 0.8762
548 9DA 0.8762
549 4ZC 0.8761
550 6MP 0.8760
551 4FS 0.8759
552 RBL 0.8759
553 3RI 0.8759
554 TDR 0.8758
555 KLW 0.8758
556 2AC 0.8755
557 7WA 0.8755
558 1WG 0.8754
559 S76 0.8754
560 35C 0.8752
561 27Y 0.8751
562 GLO 0.8750
563 EPR 0.8749
564 RB5 0.8749
565 1DW 0.8748
566 C2B 0.8748
567 M6N 0.8748
568 10L 0.8747
569 8CM 0.8744
570 YRL 0.8744
571 PCI 0.8744
572 H7Y 0.8744
573 1MC 0.8744
574 3MH 0.8742
575 B55 0.8741
576 PYD 0.8739
577 ICP 0.8739
578 5JC 0.8739
579 2MI 0.8739
580 BTY 0.8738
581 HZQ 0.8738
582 DHS 0.8738
583 R2B 0.8737
584 3CE 0.8736
585 FPY 0.8736
586 4CL 0.8735
587 SLC 0.8735
588 2FY 0.8733
589 DUB 0.8733
590 1AB 0.8732
591 2AQ 0.8732
592 14O 0.8731
593 QM1 0.8731
594 EV0 0.8731
595 TAR 0.8730
596 ES5 0.8729
597 MWM 0.8729
598 GOG 0.8729
599 IT9 0.8729
600 OCH 0.8728
601 4ZE 0.8726
602 TH0 0.8726
603 DMD 0.8725
604 TAG 0.8725
605 XYD 0.8725
606 BP1 0.8725
607 4FA 0.8724
608 7WV 0.8722
609 AIN 0.8722
610 PM6 0.8722
611 EA1 0.8720
612 ES4 0.8719
613 34A 0.8719
614 5H1 0.8719
615 AQO 0.8715
616 ODO 0.8714
617 3ID 0.8712
618 JZ2 0.8712
619 T9G 0.8711
620 A1U 0.8710
621 275 0.8710
622 KBB 0.8709
623 ASP 0.8708
624 YH7 0.8708
625 6AI 0.8707
626 2DR 0.8707
627 3R9 0.8704
628 ES9 0.8704
629 GLL 0.8703
630 5UC 0.8699
631 2YU 0.8698
632 5MB 0.8698
633 5MI 0.8698
634 CXF 0.8698
635 AZG 0.8697
636 1XN 0.8696
637 2MP 0.8695
638 JBE 0.8693
639 2K4 0.8692
640 ABN 0.8690
641 OXQ 0.8690
642 OAA 0.8689
643 43M 0.8688
644 290 0.8688
645 RMN 0.8688
646 9TY 0.8687
647 CIZ 0.8686
648 37T 0.8683
649 MXN 0.8682
650 9EW 0.8681
651 4JO 0.8681
652 TNX 0.8676
653 7N0 0.8675
654 HLR 0.8674
655 11S 0.8674
656 GLU 0.8673
657 8VN 0.8672
658 F60 0.8671
659 12B 0.8671
660 XUL 0.8671
661 CFP 0.8670
662 TM7 0.8665
663 2CQ 0.8665
664 0RW 0.8663
665 DEN 0.8660
666 41K 0.8659
667 5MH 0.8658
668 OMD 0.8658
669 CFI 0.8657
670 F3B 0.8657
671 X1P 0.8657
672 YQA 0.8655
673 4NG 0.8654
674 HDL 0.8651
675 NSG 0.8650
676 HY1 0.8650
677 HT4 0.8650
678 6FZ 0.8649
679 ENL 0.8649
680 6M9 0.8649
681 15N 0.8648
682 H6B 0.8648
683 8EW 0.8647
684 IUP 0.8646
685 0JD 0.8643
686 GBD 0.8637
687 JUG 0.8636
688 ASN 0.8635
689 XX3 0.8634
690 G1O 0.8633
691 GJS 0.8631
692 LTM 0.8631
693 ICC 0.8631
694 B2J 0.8630
695 AEF 0.8625
696 PBE 0.8624
697 FA6 0.8623
698 TM4 0.8623
699 AEH 0.8623
700 ECE 0.8621
701 B60 0.8621
702 TZE 0.8621
703 JXZ 0.8616
704 GM7 0.8615
705 PSJ 0.8615
706 BEU 0.8615
707 GDL 0.8614
708 3C2 0.8614
709 TLD 0.8613
710 2AS 0.8612
711 271 0.8611
712 94N 0.8610
713 HQ9 0.8610
714 HMQ 0.8606
715 6GU 0.8606
716 5WU 0.8606
717 32X 0.8604
718 1P3 0.8603
719 MIC 0.8599
720 HHT 0.8596
721 9R5 0.8594
722 BZF 0.8594
723 R1X 0.8593
724 RSO 0.8592
725 PYJ 0.8592
726 ICB 0.8589
727 ALA PRO 0.8589
728 PEA 0.8585
729 CIP 0.8584
730 IUR 0.8584
731 3C7 0.8580
732 RBJ 0.8580
733 SEP 0.8578
734 M2K 0.8575
735 HKD 0.8574
736 3C1 0.8572
737 51F 0.8572
738 8EZ 0.8569
739 BZI 0.8567
740 P84 0.8566
741 CKX 0.8564
742 DHY 0.8563
743 NBE 0.8561
744 APY 0.8560
745 GVH 0.8550
746 1SV 0.8544
747 HY3 0.8538
748 PEL 0.8531
749 GNL 0.8528
750 0R1 0.8516
751 LZ1 0.8515
Ligand no: 2; Ligand: PNW; Similar ligands found: 184
No: Ligand Similarity coefficient
1 BO1 0.9498
2 KVN 0.9365
3 GAL NPO 0.9356
4 KVW 0.9337
5 KVQ 0.9304
6 MRE 0.9251
7 73E 0.9223
8 KUQ 0.9212
9 6MY 0.9193
10 40W 0.9191
11 ECZ 0.9186
12 5WW 0.9182
13 338 0.9152
14 5YA 0.9149
15 F1T 0.9143
16 0QX 0.9118
17 CT7 0.9076
18 97K 0.9045
19 INI 0.9042
20 J45 0.9035
21 DL6 0.9029
22 697 0.9026
23 120 0.9019
24 1V0 0.9009
25 122 0.9002
26 B1N 0.8996
27 88X 0.8996
28 B1W 0.8992
29 F0C 0.8980
30 J90 0.8975
31 1UT 0.8972
32 TH1 0.8970
33 TYP 0.8965
34 NU3 0.8964
35 E9L 0.8953
36 BJ4 0.8950
37 TVZ 0.8944
38 SGW 0.8943
39 VT3 0.8940
40 22M 0.8938
41 08C 0.8938
42 2ZI 0.8938
43 M3W 0.8936
44 3TI 0.8934
45 W8L 0.8923
46 YX0 0.8919
47 A63 0.8919
48 MHB 0.8917
49 QC1 0.8917
50 IY5 0.8915
51 121 0.8913
52 2UV 0.8907
53 CDJ 0.8904
54 NAR 0.8894
55 H2W 0.8893
56 KS2 0.8892
57 BXZ 0.8886
58 B7H 0.8881
59 1V8 0.8872
60 801 0.8871
61 135 0.8871
62 MQ1 0.8870
63 6BK 0.8867
64 BGC BGC 0.8862
65 IDD 0.8860
66 JKN 0.8859
67 PV1 0.8859
68 1FL 0.8856
69 U55 0.8852
70 8QE 0.8852
71 BNY 0.8852
72 1UR 0.8852
73 F36 0.8849
74 XYP XYP 0.8849
75 T5J 0.8847
76 8E3 0.8833
77 7FC 0.8828
78 5TU 0.8819
79 9W7 0.8817
80 1UZ 0.8812
81 TVC 0.8801
82 OSY 0.8797
83 FE5 0.8795
84 STL 0.8794
85 NW1 0.8786
86 0HV 0.8786
87 EMU 0.8784
88 NPZ 0.8783
89 5ZM 0.8770
90 O9Z 0.8769
91 NQK 0.8768
92 CWP 0.8754
93 5XM 0.8754
94 C5Q 0.8752
95 31F 0.8751
96 J8D 0.8749
97 G2V 0.8748
98 XYS XYS 0.8747
99 A5W 0.8747
100 ZZ1 GAL 0.8744
101 3G5 0.8742
102 J71 0.8739
103 LOX XYP 0.8734
104 1V1 0.8734
105 JFS 0.8731
106 D64 0.8731
107 GLC GLA 0.8725
108 LU2 0.8723
109 7ZO 0.8721
110 XYP XIM 0.8720
111 3WJ 0.8720
112 27F 0.8712
113 LI4 0.8711
114 XAV 0.8711
115 TMP 0.8711
116 AGI 0.8711
117 IEE 0.8703
118 A73 0.8695
119 NQE 0.8689
120 AEY 0.8686
121 20D 0.8686
122 25K 0.8685
123 3CA 0.8682
124 3F4 0.8680
125 DFL 0.8678
126 8XY 0.8678
127 4L2 0.8676
128 SZ5 0.8675
129 7WD 0.8675
130 GEN 0.8671
131 JZR 0.8668
132 T98 0.8668
133 GLC GLC 0.8665
134 AUY 0.8663
135 GVI 0.8662
136 6WL 0.8656
137 WG8 0.8655
138 B1K 0.8653
139 4JV 0.8648
140 9W8 0.8644
141 06R 0.8643
142 5CX 0.8638
143 25F 0.8634
144 SQM 0.8634
145 P34 0.8631
146 9ME 0.8631
147 E98 0.8631
148 M16 0.8629
149 GJW 0.8627
150 E92 0.8620
151 OUG 0.8619
152 BFS 0.8617
153 LKS 0.8616
154 E2N 0.8615
155 MRI 0.8614
156 KMP 0.8610
157 RNP 0.8607
158 15I 0.8601
159 KTV 0.8600
160 S13 0.8598
161 7NU 0.8597
162 6H2 0.8592
163 LZK 0.8591
164 3WL 0.8590
165 SNP 0.8590
166 LI7 0.8589
167 SIJ 0.8589
168 J84 0.8589
169 AX6 0.8585
170 4K9 0.8581
171 AX1 0.8579
172 BUX 0.8577
173 ZT4 0.8576
174 BMC 0.8576
175 100 0.8573
176 GYZ 0.8571
177 ABL 0.8562
178 M08 0.8562
179 4KN 0.8559
180 JVB 0.8552
181 4ZF 0.8542
182 FO2 0.8534
183 J3B 0.8530
184 XJG 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M82; Ligand: NGB; 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: 4m82.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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