Receptor
PDB id Resolution Class Description Source Keywords
1H18 2.3 Å EC: 2.3.1.54 PYRUVATE FORMATE-LYASE (E.COLI) IN COMPLEX WITH PYRUVATE ESCHERICHIA COLI LYASE GLYCYL RADICAL ENZYME TRANSFERASE ACYLTRANSFERASE ACETYLATION
Ref.: X-RAY STRUCTURE OF PYRUVATE FORMATE-LYASE IN COMPLEX WITH PYRUVATE AND COA.HOW THE ENZYME USES THE CYS-418 THIYL RADICAL FOR PYRUVATE CLEAVAGE J.BIOL.CHEM. V. 277 40036 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTL A:9009;
A:9010;
B:9009;
B:9010;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
122.12 C4 H10 O4 C([C@...
NA A:9001;
A:9002;
A:9004;
B:9001;
B:9003;
B:9006;
B:9007;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
PG4 A:9011;
A:9012;
A:9013;
B:9011;
B:9013;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
PYR A:1001;
B:1001;
Valid;
Valid;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H16 1.53 Å EC: 2.3.1.54 PYRUVATE FORMATE-LYASE (E.COLI) IN COMPLEX WITH PYRUVATE AND ESCHERICHIA COLI LYASE GLYCYL RADICAL ENZYME TRANSFERASE ACYLTRANSFERASE
Ref.: X-RAY STRUCTURE OF PYRUVATE FORMATE-LYASE IN COMPLE PYRUVATE AND COA.HOW THE ENZYME USES THE CYS-418 TH RADICAL FOR PYRUVATE CLEAVAGE J.BIOL.CHEM. V. 277 40036 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H17 - DTL C4 H10 O4 C([C@@H]([....
2 1H18 - PYR C3 H4 O3 CC(=O)C(=O....
3 1H16 - DTL C4 H10 O4 C([C@@H]([....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H17 - DTL C4 H10 O4 C([C@@H]([....
2 1H18 - PYR C3 H4 O3 CC(=O)C(=O....
3 1H16 - DTL C4 H10 O4 C([C@@H]([....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H17 - DTL C4 H10 O4 C([C@@H]([....
2 1H18 - PYR C3 H4 O3 CC(=O)C(=O....
3 1H16 - DTL C4 H10 O4 C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DTL; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 DTL 1 1
2 MRY 1 1
3 03W 0.615385 0.791667
4 SOR 0.533333 0.954545
5 RB0 0.533333 0.913043
6 MTL 0.533333 0.954545
7 XYL 0.533333 0.913043
8 GOL 0.5 0.863636
Ligand no: 2; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: DTL; Similar ligands found: 850
No: Ligand Similarity coefficient
1 23W 1.0000
2 ILE 1.0000
3 LER 0.9943
4 DTT 0.9925
5 MLI 0.9843
6 KG7 0.9815
7 MLA 0.9807
8 2KT 0.9774
9 C5J 0.9756
10 FW5 0.9729
11 P2D 0.9686
12 AAE 0.9686
13 CAQ 0.9655
14 3PY 0.9643
15 CRS 0.9626
16 54D 0.9618
17 MLM 0.9615
18 ABA 0.9614
19 ODV 0.9610
20 SMB 0.9590
21 URA 0.9586
22 SER 0.9582
23 XRG 0.9573
24 JZ5 0.9570
25 HGQ 0.9565
26 SMV 0.9558
27 MZW 0.9557
28 RCO 0.9556
29 3HL 0.9555
30 3CH 0.9555
31 4H2 0.9553
32 TZZ 0.9548
33 26D 0.9534
34 BVF 0.9529
35 24T 0.9528
36 2PC 0.9524
37 IXW 0.9522
38 KSW 0.9504
39 M3T 0.9500
40 LG5 0.9498
41 HEW 0.9497
42 URF 0.9494
43 GLY ALA 0.9492
44 E60 0.9488
45 DXX 0.9487
46 CIG 0.9486
47 B3R 0.9480
48 MB3 0.9473
49 VAH 0.9473
50 CYS 0.9469
51 8GF 0.9468
52 4SD 0.9467
53 JBN 0.9467
54 3ZQ 0.9466
55 LG3 0.9466
56 1AC 0.9451
57 HIU 0.9450
58 39J 0.9443
59 BEW 0.9439
60 CYT 0.9437
61 WBU 0.9430
62 40O 0.9428
63 SSN 0.9428
64 DTU 0.9425
65 2YU 0.9425
66 DBB 0.9425
67 PYR 0.9416
68 CEJ 0.9415
69 5JC 0.9415
70 THE 0.9415
71 DE2 0.9411
72 TZC 0.9411
73 MMZ 0.9410
74 OXL 0.9409
75 1SP 0.9402
76 PRI 0.9398
77 HUI 0.9397
78 TP5 0.9396
79 M2H 0.9393
80 HT4 0.9392
81 DMG 0.9390
82 C2A 0.9383
83 M6W 0.9379
84 JAB 0.9374
85 1DW 0.9372
86 265 0.9370
87 TM7 0.9370
88 DGY 0.9370
89 HHQ 0.9365
90 4ZC 0.9364
91 MZG 0.9362
92 TZL 0.9357
93 ZBT 0.9357
94 25T 0.9357
95 OAA 0.9353
96 TH0 0.9349
97 THR 0.9348
98 2RA 0.9347
99 JZ3 0.9343
100 R2B 0.9342
101 PYC 0.9340
102 R8S 0.9340
103 KPL 0.9338
104 OXM 0.9338
105 DSN 0.9334
106 SGL 0.9333
107 HV2 0.9332
108 PYG 0.9332
109 MWM 0.9328
110 PKU 0.9327
111 4ZE 0.9321
112 OHG 0.9318
113 NCA 0.9318
114 9X7 0.9317
115 OXD 0.9316
116 SYN 0.9314
117 IHG 0.9312
118 CHT 0.9311
119 C2N 0.9310
120 COM 0.9310
121 2MP 0.9306
122 4HO 0.9305
123 XBT 0.9304
124 Y8I 0.9303
125 FPI 0.9300
126 RP7 0.9297
127 HBX 0.9296
128 284 0.9296
129 XBZ 0.9294
130 A3B 0.9292
131 FOA 0.9291
132 3XX 0.9290
133 HPY 0.9289
134 34A 0.9289
135 MWJ 0.9287
136 C21 0.9286
137 275 0.9286
138 HDA 0.9285
139 NVI 0.9284
140 LDU 0.9279
141 2AC 0.9279
142 IDH 0.9277
143 XYD 0.9276
144 IVA 0.9274
145 TLA 0.9273
146 IPH 0.9272
147 2OP 0.9271
148 0R0 0.9271
149 14J 0.9270
150 TB6 0.9270
151 TDR 0.9269
152 27Y 0.9269
153 NK 0.9268
154 A1U 0.9267
155 J1Z 0.9267
156 RIB 0.9267
157 TLD 0.9266
158 BEN 0.9263
159 R1X 0.9263
160 DCY 0.9262
161 9YL 0.9262
162 7WG 0.9261
163 MCT 0.9260
164 ASP 0.9260
165 PZA 0.9259
166 4JJ 0.9259
167 DAB 0.9259
168 BAM 0.9258
169 HSE 0.9257
170 NBZ 0.9257
171 LAC 0.9256
172 BAL 0.9255
173 280 0.9255
174 PRO 0.9252
175 49F 0.9251
176 BEZ 0.9251
177 ABN 0.9251
178 3Z7 0.9251
179 BVC 0.9250
180 4CL 0.9250
181 I2M 0.9250
182 282 0.9249
183 DUC 0.9249
184 UGC 0.9247
185 FLA 0.9246
186 NXA 0.9246
187 BR9 0.9246
188 JZ2 0.9246
189 273 0.9246
190 1DH 0.9245
191 DCD 0.9240
192 TAU 0.9240
193 5UC 0.9235
194 UYA 0.9235
195 QOS 0.9234
196 HYN 0.9233
197 43M 0.9232
198 ALA 0.9229
199 BAE 0.9229
200 PYD 0.9229
201 ICP 0.9229
202 PRS 0.9228
203 47J 0.9228
204 HYA 0.9226
205 BHO 0.9226
206 CP 0.9223
207 PCA 0.9223
208 NVA 0.9223
209 AHR 0.9221
210 PAF 0.9219
211 4VP 0.9219
212 1DU 0.9218
213 DAL 0.9217
214 BUA 0.9217
215 HSM 0.9215
216 NIO 0.9215
217 PYF 0.9214
218 MAE 0.9214
219 DPR 0.9211
220 3HB 0.9210
221 1MC 0.9209
222 ISZ 0.9208
223 HBA 0.9207
224 6UA 0.9206
225 AMC 0.9203
226 FCN 0.9201
227 PAE 0.9200
228 192 0.9199
229 HVQ 0.9198
230 3NT 0.9197
231 PPF 0.9197
232 YIV 0.9196
233 6M9 0.9194
234 2HE 0.9194
235 FBM 0.9188
236 HBS 0.9187
237 FQI 0.9186
238 HIO 0.9185
239 NCM 0.9185
240 UNU 0.9183
241 GAB 0.9183
242 CFI 0.9183
243 IMR 0.9183
244 1XX 0.9181
245 HPA 0.9181
246 LMR 0.9179
247 2MH 0.9179
248 BZX 0.9178
249 PY7 0.9178
250 XUL 0.9177
251 BP9 0.9177
252 IUR 0.9177
253 4CH 0.9177
254 ALQ 0.9176
255 6PC 0.9176
256 5MB 0.9175
257 MLT 0.9175
258 2IM 0.9175
259 5H1 0.9174
260 5MI 0.9172
261 ETM 0.9170
262 14O 0.9169
263 OVV 0.9169
264 P7I 0.9168
265 5MH 0.9167
266 PG0 0.9167
267 QDK 0.9167
268 NIZ 0.9165
269 VAL 0.9165
270 93B 0.9164
271 FAN 0.9163
272 TFB 0.9163
273 KIV 0.9162
274 8X3 0.9161
275 F60 0.9160
276 RSF 0.9158
277 F05 0.9157
278 BVG 0.9157
279 AOA 0.9156
280 AKB 0.9156
281 NAK 0.9155
282 DCL 0.9154
283 JAE 0.9154
284 O7U 0.9154
285 XLS 0.9153
286 ADE 0.9152
287 FEH 0.9152
288 PG3 0.9150
289 SAL 0.9150
290 PYJ 0.9148
291 1AB 0.9147
292 XIX 0.9146
293 HYP 0.9146
294 DMV 0.9146
295 H3M 0.9145
296 TAR 0.9143
297 11S 0.9143
298 6AI 0.9142
299 SIN 0.9142
300 ES9 0.9141
301 HCS 0.9141
302 2K4 0.9137
303 B24 0.9137
304 SAT 0.9135
305 4JU 0.9135
306 0RW 0.9133
307 HBR 0.9132
308 NBE 0.9132
309 285 0.9132
310 EDG 0.9131
311 BML 0.9131
312 MZ0 0.9131
313 HGY 0.9131
314 A2Q 0.9130
315 FBJ 0.9129
316 SKJ 0.9128
317 ECE 0.9126
318 IND 0.9124
319 3GR 0.9123
320 BTE 0.9122
321 DEN 0.9121
322 HE2 0.9120
323 I1E 0.9120
324 MSF 0.9118
325 GAG 0.9115
326 ARB 0.9115
327 IDM 0.9113
328 AHB 0.9113
329 QSC 0.9112
330 1MR 0.9112
331 BMD 0.9112
332 MAK 0.9109
333 8EZ 0.9108
334 VGL 0.9108
335 69O 0.9108
336 9EW 0.9107
337 3HR 0.9107
338 FPY 0.9107
339 AC5 0.9106
340 O8Y 0.9104
341 PBC 0.9104
342 4JO 0.9103
343 ALO 0.9102
344 DYA 0.9100
345 7VD 0.9099
346 EFS 0.9099
347 98J 0.9098
348 XYP 0.9097
349 7HP 0.9097
350 R8A 0.9096
351 MPI 0.9095
352 IPU 0.9093
353 PGA 0.9092
354 BU4 0.9092
355 ROR 0.9091
356 FUB 0.9090
357 BZI 0.9089
358 NTN 0.9088
359 URP 0.9087
360 AC0 0.9087
361 UY7 0.9087
362 8GC 0.9085
363 GVH 0.9085
364 0R1 0.9085
365 5HN 0.9084
366 M58 0.9084
367 FJO 0.9083
368 2CH 0.9082
369 RBL 0.9081
370 3AB 0.9081
371 XAP 0.9081
372 LZ1 0.9080
373 HZP 0.9080
374 AL0 0.9076
375 ABV 0.9076
376 ABU 0.9074
377 53C 0.9074
378 APY 0.9074
379 0MK 0.9073
380 ITU 0.9073
381 FK1 0.9073
382 6M4 0.9071
383 PCT 0.9071
384 BUO 0.9070
385 CYH 0.9069
386 COI 0.9068
387 6LW 0.9067
388 RB5 0.9066
389 TEO 0.9066
390 BZF 0.9066
391 WCE 0.9065
392 ICN 0.9065
393 23B 0.9062
394 3BZ 0.9060
395 51F 0.9060
396 BUQ 0.9058
397 SRT 0.9058
398 HAI 0.9057
399 5FX 0.9056
400 I3A 0.9055
401 2AS 0.9054
402 HY3 0.9053
403 SLP 0.9053
404 GOJ 0.9051
405 BUB 0.9051
406 6HQ 0.9050
407 NMG 0.9050
408 V1L 0.9049
409 286 0.9048
410 54G 0.9048
411 POA 0.9046
412 XYS 0.9044
413 PUT 0.9044
414 3BB 0.9040
415 2CO 0.9040
416 VKC 0.9040
417 OXE 0.9039
418 JZ0 0.9035
419 JZ7 0.9035
420 60P 0.9035
421 LLQ 0.9034
422 KOJ 0.9033
423 CXL 0.9033
424 1DQ 0.9032
425 DAS 0.9031
426 CRN 0.9031
427 0CT 0.9030
428 SVN 0.9027
429 EGD 0.9027
430 TMZ 0.9027
431 5RG 0.9025
432 IOM 0.9024
433 NMJ 0.9024
434 LEA 0.9023
435 YHO 0.9023
436 NIS 0.9022
437 GTQ 0.9021
438 1AN 0.9021
439 BRT 0.9021
440 2DR 0.9018
441 MPD 0.9017
442 L60 0.9017
443 ASN 0.9016
444 4XR 0.9015
445 76X 0.9012
446 FP2 0.9012
447 6X8 0.9010
448 LEU 0.9008
449 4CS 0.9007
450 4HM 0.9007
451 CIZ 0.9005
452 TIU 0.9005
453 2MI 0.9005
454 HTS 0.9005
455 Z6J 0.9005
456 URQ 0.9004
457 5M0 0.9002
458 8LG 0.9002
459 7CZ 0.9001
460 BDR 0.9000
461 3OH 0.9000
462 7HQ 0.8999
463 2AF 0.8999
464 ICC 0.8998
465 8NY 0.8997
466 CSS 0.8996
467 GLY GLY 0.8996
468 GBD 0.8995
469 EUG 0.8993
470 ABE 0.8993
471 LNO 0.8992
472 40E 0.8991
473 OK7 0.8990
474 HX3 0.8989
475 XPO 0.8987
476 CXF 0.8987
477 MRZ 0.8986
478 JZ1 0.8986
479 2RH 0.8986
480 YAN 0.8984
481 92Z 0.8984
482 TMH 0.8983
483 QFH 0.8983
484 OPE 0.8983
485 H76 0.8982
486 5AC 0.8981
487 AX7 0.8980
488 270 0.8980
489 GLY CYS 0.8979
490 TF4 0.8979
491 ARA 0.8976
492 9J3 0.8975
493 93Q 0.8973
494 F0J 0.8972
495 S0H 0.8970
496 DPF 0.8968
497 JYD 0.8967
498 RNS 0.8966
499 BE2 0.8966
500 TZE 0.8964
501 9SB 0.8963
502 T6C 0.8962
503 IQ0 0.8960
504 MNN 0.8960
505 GXE 0.8960
506 0TR 0.8957
507 FYU 0.8957
508 L89 0.8957
509 F9P 0.8956
510 3OC 0.8955
511 1DJ 0.8954
512 V55 0.8952
513 938 0.8951
514 SS1 0.8951
515 M1E 0.8950
516 ATQ 0.8950
517 FUM 0.8946
518 GLL 0.8946
519 9TY 0.8945
520 NBN 0.8945
521 1PT 0.8944
522 BXO 0.8943
523 YCP 0.8941
524 9CL 0.8937
525 PHB 0.8937
526 2EZ 0.8935
527 OXQ 0.8935
528 PE9 0.8933
529 QUZ 0.8932
530 DFB 0.8931
531 MEU 0.8930
532 4XX 0.8929
533 ES6 0.8929
534 MTG 0.8929
535 ORN 0.8928
536 GLU 0.8927
537 NPO 0.8925
538 HTX 0.8924
539 9TZ 0.8922
540 WTZ 0.8921
541 IT2 0.8920
542 JKE 0.8920
543 1P7 0.8919
544 OCH 0.8919
545 7MH 0.8919
546 FBA 0.8918
547 PLQ 0.8918
548 SD4 0.8915
549 TMT 0.8913
550 COU 0.8913
551 4FS 0.8911
552 ES5 0.8911
553 D2P 0.8910
554 JBE 0.8910
555 AML 0.8908
556 G2H 0.8907
557 DZZ 0.8907
558 3MH 0.8906
559 JZ9 0.8906
560 SAR 0.8906
561 4HA 0.8905
562 PXY 0.8905
563 HMH 0.8905
564 HY1 0.8905
565 IFM 0.8904
566 ETX 0.8903
567 PAH 0.8901
568 6NA 0.8901
569 RNT 0.8901
570 NLE 0.8901
571 2HA 0.8900
572 AGK 0.8899
573 GG6 0.8896
574 4JL 0.8896
575 3MB 0.8896
576 MET 0.8895
577 PBE 0.8895
578 FUL 0.8895
579 3U4 0.8893
580 2AQ 0.8893
581 34V 0.8893
582 BHH 0.8892
583 5MK 0.8892
584 PCR 0.8891
585 EHM 0.8891
586 03V 0.8889
587 NPY 0.8889
588 DTI 0.8888
589 SX1 0.8887
590 SNE 0.8886
591 VX 0.8886
592 1DV 0.8886
593 5B1 0.8886
594 6CS 0.8885
595 MSE 0.8884
596 RIP 0.8884
597 OVM 0.8884
598 5OB 0.8884
599 XM0 0.8884
600 PEL 0.8884
601 MUC 0.8883
602 150 0.8881
603 2CQ 0.8878
604 BAQ 0.8875
605 7B4 0.8874
606 AZF 0.8874
607 HQE 0.8874
608 FPN 0.8874
609 HX2 0.8872
610 K34 0.8872
611 3SK 0.8871
612 GXV 0.8871
613 ZZT 0.8871
614 2CK 0.8871
615 MXN 0.8870
616 BZ3 0.8868
617 2XX 0.8868
618 Q88 0.8867
619 1WG 0.8866
620 ITN 0.8860
621 8CL 0.8859
622 KKN 0.8856
623 KMT 0.8855
624 7W4 0.8854
625 MBN 0.8852
626 1P3 0.8852
627 ES2 0.8851
628 HL5 0.8850
629 OW4 0.8850
630 GIF 0.8849
631 CMS 0.8847
632 5Y9 0.8845
633 GYE 0.8843
634 173 0.8842
635 4SV 0.8841
636 TBP 0.8840
637 C2B 0.8840
638 25R 0.8840
639 PYM 0.8840
640 6MH 0.8839
641 8H8 0.8837
642 PEA 0.8836
643 278 0.8835
644 TTO 0.8833
645 8OZ 0.8832
646 FCA 0.8831
647 MEV 0.8830
648 3SY 0.8829
649 LG4 0.8826
650 3FA 0.8826
651 FPK 0.8825
652 FLM 0.8823
653 DA1 0.8822
654 ISN 0.8821
655 2CM 0.8820
656 F81 0.8813
657 5XC 0.8813
658 717 0.8813
659 GLN 0.8812
660 WOT 0.8811
661 PZI 0.8811
662 RSO 0.8810
663 2LP 0.8809
664 MBD 0.8809
665 3MC 0.8808
666 TH7 0.8808
667 PAB 0.8807
668 RUU 0.8805
669 LXC 0.8803
670 DUB 0.8803
671 9PO 0.8802
672 HHN 0.8802
673 1P8 0.8802
674 FUC 0.8802
675 3AP 0.8801
676 OGA 0.8800
677 ET2 0.8800
678 5ZE 0.8799
679 GMN 0.8799
680 ICF 0.8799
681 45C 0.8798
682 1LQ 0.8798
683 6JN 0.8796
684 4HS 0.8795
685 HRZ 0.8794
686 DIG 0.8792
687 TC7 0.8791
688 SS2 0.8791
689 HVK 0.8790
690 2MY 0.8790
691 2AP 0.8789
692 A8C 0.8788
693 DGL 0.8786
694 AKG 0.8786
695 DFU 0.8786
696 RMN 0.8785
697 4AP 0.8784
698 PPV 0.8782
699 DPJ 0.8782
700 BSX 0.8781
701 8EW 0.8781
702 SKG 0.8780
703 YTB 0.8780
704 2C9 0.8777
705 BNS 0.8777
706 7WV 0.8775
707 PIH 0.8774
708 94N 0.8774
709 261 0.8773
710 3M0 0.8772
711 9DG 0.8768
712 3CE 0.8768
713 H95 0.8767
714 24B 0.8762
715 Z82 0.8762
716 OXZ 0.8761
717 VNJ 0.8761
718 CEE 0.8761
719 HSW 0.8758
720 TPA 0.8757
721 LRH 0.8754
722 1LN 0.8753
723 9X6 0.8750
724 GUA 0.8749
725 HGW 0.8747
726 FP1 0.8746
727 SPV 0.8743
728 PEP 0.8741
729 4JN 0.8741
730 GUN 0.8740
731 MYJ 0.8739
732 ERH 0.8737
733 2A7 0.8735
734 1WD 0.8735
735 PEQ 0.8734
736 AX2 0.8734
737 ZZ3 0.8731
738 P3K 0.8731
739 13P 0.8729
740 13X 0.8727
741 4NC 0.8727
742 XAN 0.8726
743 RJY 0.8725
744 8FH 0.8724
745 A20 0.8724
746 MED 0.8723
747 AC6 0.8723
748 271 0.8721
749 1CO 0.8720
750 4MV 0.8720
751 OEM 0.8719
752 FFP 0.8716
753 BP1 0.8716
754 PHU 0.8712
755 NSP 0.8711
756 MTD 0.8710
757 HH5 0.8709
758 SPA 0.8708
759 3AY 0.8708
760 6MP 0.8708
761 L3Q 0.8707
762 OVP 0.8704
763 T2C 0.8704
764 3DM 0.8700
765 1Y6 0.8700
766 4RW 0.8700
767 PBZ 0.8700
768 P72 0.8699
769 3V4 0.8699
770 RM1 0.8696
771 SHA 0.8695
772 LGA 0.8695
773 4MA 0.8694
774 P9P 0.8692
775 2EH 0.8691
776 HBD 0.8691
777 INO 0.8684
778 MR1 0.8684
779 5AN 0.8681
780 10L 0.8680
781 HMU 0.8680
782 FRU 0.8680
783 BR8 0.8679
784 PPR 0.8677
785 WDL 0.8676
786 9DA 0.8674
787 DHB 0.8674
788 5HY 0.8673
789 SMN 0.8671
790 KJU 0.8671
791 7A8 0.8671
792 9RW 0.8668
793 SR1 0.8667
794 IOL 0.8665
795 FUF 0.8665
796 CNH 0.8662
797 2AL 0.8661
798 PZM 0.8655
799 IP0 0.8655
800 PRY 0.8653
801 GLC 0.8651
802 PM6 0.8651
803 2BG 0.8651
804 GRO 0.8649
805 XIY 0.8647
806 PMB 0.8645
807 IZC 0.8645
808 ES4 0.8641
809 12M 0.8639
810 SYV 0.8638
811 PDC 0.8634
812 DGJ 0.8633
813 9HX 0.8632
814 45L 0.8632
815 51R 0.8628
816 5RN 0.8628
817 MMU 0.8626
818 JZ4 0.8617
819 IF7 0.8617
820 SC2 0.8616
821 9TW 0.8615
822 POP 0.8615
823 93K 0.8614
824 H8N 0.8613
825 S76 0.8612
826 4M0 0.8610
827 64K 0.8609
828 TAN 0.8608
829 TB0 0.8606
830 2HO 0.8605
831 BHA 0.8602
832 FA0 0.8602
833 ASO 0.8601
834 7WA 0.8600
835 DOB 0.8600
836 2PN 0.8600
837 VSO 0.8593
838 3MT 0.8591
839 3SL 0.8590
840 CHB 0.8590
841 PIS 0.8584
842 5CU 0.8583
843 QY9 0.8579
844 FSG 0.8574
845 ICO 0.8568
846 YRL 0.8567
847 PAC 0.8563
848 1M2 0.8559
849 NOJ 0.8557
850 5NU 0.8555
Ligand no: 2; Ligand: PYR; Similar ligands found: 403
No: Ligand Similarity coefficient
1 OXM 1.0000
2 HBS 1.0000
3 HBR 1.0000
4 NAK 1.0000
5 ALQ 1.0000
6 DAL 1.0000
7 ALA 1.0000
8 NIS 1.0000
9 2OP 1.0000
10 LAC 1.0000
11 PYM 1.0000
12 OXL 1.0000
13 BUO 1.0000
14 HGY 1.0000
15 5Y9 1.0000
16 TF4 0.9897
17 THR 0.9859
18 BU4 0.9801
19 DXX 0.9793
20 39J 0.9787
21 MB3 0.9783
22 DGY 0.9781
23 03W 0.9781
24 1AC 0.9772
25 AOA 0.9760
26 SER 0.9754
27 3ZS 0.9752
28 BAL 0.9734
29 PPI 0.9734
30 3OH 0.9733
31 HSL 0.9723
32 3PY 0.9721
33 KSW 0.9709
34 DSN 0.9707
35 BMD 0.9701
36 FAH 0.9700
37 HIU 0.9691
38 NIE 0.9688
39 GLV 0.9687
40 HUI 0.9681
41 GLY 0.9679
42 J3K 0.9679
43 CYS 0.9678
44 DE2 0.9673
45 3TR 0.9670
46 KG7 0.9663
47 4AX 0.9663
48 A3B 0.9661
49 DBB 0.9661
50 2RA 0.9657
51 2A3 0.9652
52 2AI 0.9651
53 ALF 0.9650
54 0PY 0.9650
55 DMI 0.9642
56 3MT 0.9641
57 6SP 0.9637
58 1CB 0.9637
59 SAR 0.9628
60 GBL 0.9626
61 HOW 0.9623
62 AKR 0.9623
63 2MZ 0.9618
64 AMT 0.9618
65 1MZ 0.9611
66 2A1 0.9611
67 7EX 0.9610
68 MMZ 0.9609
69 DCY 0.9605
70 MR3 0.9604
71 GOA 0.9603
72 C2N 0.9599
73 5MP 0.9594
74 B20 0.9593
75 BAQ 0.9591
76 4MZ 0.9590
77 HAE 0.9589
78 BUA 0.9583
79 BNZ 0.9582
80 P1R 0.9581
81 C5J 0.9580
82 GOL 0.9579
83 F3V 0.9576
84 PHZ 0.9575
85 NHY 0.9574
86 SMB 0.9571
87 ABA 0.9571
88 61G 0.9565
89 HVB 0.9565
90 AGU 0.9561
91 BUQ 0.9560
92 R3W 0.9548
93 ATQ 0.9548
94 DTI 0.9548
95 5KX 0.9548
96 9A4 0.9544
97 BUB 0.9541
98 3CL 0.9533
99 MGX 0.9532
100 XAP 0.9503
101 PZO 0.9499
102 JZ6 0.9497
103 MZY 0.9492
104 NMU 0.9488
105 TRI 0.9486
106 CYH 0.9483
107 CXL 0.9483
108 HAI 0.9477
109 BRP 0.9473
110 MLA 0.9469
111 IPH 0.9456
112 SLP 0.9447
113 HLT 0.9445
114 3HR 0.9444
115 PPF 0.9444
116 TSZ 0.9443
117 3GR 0.9442
118 HVK 0.9439
119 IMD 0.9439
120 HUH 0.9433
121 MLI 0.9429
122 BYZ 0.9426
123 MLM 0.9425
124 3BB 0.9425
125 PYZ 0.9424
126 ATO 0.9421
127 ES3 0.9421
128 LGA 0.9419
129 A2Q 0.9419
130 TAY 0.9417
131 DTL 0.9416
132 PXO 0.9416
133 2AP 0.9414
134 EGD 0.9408
135 XIX 0.9402
136 MBN 0.9400
137 MTG 0.9400
138 40O 0.9400
139 1BP 0.9399
140 3ZQ 0.9392
141 3HL 0.9391
142 MEU 0.9389
143 DMG 0.9389
144 HYN 0.9380
145 BXA 0.9372
146 9PO 0.9367
147 3AP 0.9364
148 4AP 0.9363
149 L60 0.9361
150 HRZ 0.9356
151 V1L 0.9352
152 2IM 0.9352
153 23W 0.9349
154 93B 0.9344
155 GXV 0.9339
156 2HA 0.9330
157 WOT 0.9318
158 CP2 0.9308
159 MZ0 0.9304
160 4XX 0.9303
161 IVA 0.9290
162 8CL 0.9288
163 FP2 0.9285
164 PIH 0.9283
165 MRY 0.9282
166 2HP 0.9280
167 HHN 0.9276
168 JZ0 0.9272
169 LER 0.9271
170 HV2 0.9270
171 CAQ 0.9263
172 TTO 0.9262
173 93Q 0.9262
174 ABU 0.9262
175 L89 0.9258
176 GXE 0.9257
177 HGW 0.9254
178 1AN 0.9252
179 J1Z 0.9247
180 ETF 0.9247
181 76X 0.9244
182 TFB 0.9244
183 BXO 0.9236
184 938 0.9232
185 TCV 0.9231
186 2AF 0.9230
187 IQ0 0.9227
188 FW5 0.9225
189 4DX 0.9222
190 H3M 0.9215
191 8LG 0.9213
192 92Z 0.9212
193 OXE 0.9204
194 24T 0.9194
195 PRI 0.9190
196 D2P 0.9182
197 TMT 0.9179
198 BEW 0.9179
199 MMU 0.9177
200 CEJ 0.9176
201 TMZ 0.9175
202 285 0.9172
203 2CH 0.9170
204 P2D 0.9167
205 HTS 0.9160
206 CHT 0.9157
207 SSN 0.9157
208 ITU 0.9146
209 E60 0.9144
210 NVI 0.9142
211 8FH 0.9138
212 8X3 0.9134
213 6X8 0.9131
214 192 0.9131
215 03S 0.9122
216 HSW 0.9120
217 BAE 0.9118
218 25T 0.9113
219 TAU 0.9111
220 TB0 0.9109
221 2PC 0.9106
222 PRO 0.9106
223 FUS 0.9099
224 SGL 0.9087
225 YAN 0.9086
226 DCD 0.9085
227 280 0.9081
228 TBU 0.9081
229 1SP 0.9081
230 FJO 0.9078
231 PRS 0.9069
232 ALO 0.9064
233 1DH 0.9062
234 DTU 0.9061
235 TMO 0.9056
236 GB 0.9055
237 BVC 0.9054
238 DUC 0.9053
239 TAN 0.9043
240 4JU 0.9042
241 HPY 0.9040
242 LG3 0.9037
243 278 0.9037
244 ODV 0.9032
245 25R 0.9031
246 URA 0.9025
247 ETM 0.9022
248 2HE 0.9019
249 ICN 0.9017
250 DPR 0.9008
251 8GF 0.9006
252 284 0.9004
253 CRS 0.9004
254 FOA 0.9002
255 AKB 0.9001
256 PCR 0.8999
257 POA 0.8998
258 T2C 0.8998
259 BF4 0.8997
260 LG5 0.8996
261 VAL 0.8994
262 PO4 0.8994
263 FMS 0.8991
264 DTT 0.8989
265 MSF 0.8988
266 RP7 0.8988
267 BVG 0.8988
268 TZC 0.8984
269 26D 0.8983
270 HVQ 0.8983
271 2EZ 0.8981
272 P7I 0.8979
273 PAE 0.8977
274 FCN 0.8976
275 TFS 0.8973
276 CYT 0.8970
277 JBN 0.8963
278 BVF 0.8963
279 DA1 0.8962
280 LG4 0.8962
281 PYC 0.8958
282 JAB 0.8956
283 HQE 0.8954
284 EDO 0.8949
285 4JN 0.8947
286 2MH 0.8944
287 TP5 0.8943
288 RCO 0.8941
289 CNH 0.8938
290 FPO 0.8936
291 WO6 0.8934
292 VSO 0.8932
293 3CH 0.8931
294 9X7 0.8931
295 2PA 0.8930
296 CIG 0.8929
297 MAK 0.8922
298 PUT 0.8917
299 FPN 0.8903
300 4CH 0.8897
301 1DU 0.8896
302 BML 0.8895
303 HEW 0.8895
304 ECE 0.8893
305 PLQ 0.8892
306 B3R 0.8891
307 IDH 0.8890
308 1XX 0.8890
309 PXY 0.8887
310 HGQ 0.8886
311 RSF 0.8886
312 ISU 0.8877
313 4HS 0.8873
314 BRJ 0.8872
315 265 0.8862
316 HHQ 0.8862
317 DAB 0.8857
318 273 0.8857
319 M3T 0.8854
320 SYN 0.8849
321 IOL 0.8841
322 4H2 0.8839
323 HCS 0.8829
324 NEQ 0.8823
325 C21 0.8819
326 NCM 0.8815
327 HSE 0.8814
328 MMQ 0.8813
329 ART 0.8805
330 PEJ 0.8805
331 YHO 0.8801
332 CSS 0.8790
333 OSM 0.8786
334 NVA 0.8784
335 CP 0.8779
336 URF 0.8769
337 SMV 0.8769
338 ICC 0.8766
339 MTD 0.8763
340 282 0.8757
341 NOE 0.8738
342 1MC 0.8736
343 ICP 0.8735
344 TDR 0.8735
345 DCL 0.8728
346 3SY 0.8728
347 APY 0.8722
348 FPY 0.8718
349 4HO 0.8703
350 ACT 0.8702
351 MWJ 0.8697
352 AMC 0.8696
353 XYD 0.8696
354 ABN 0.8690
355 27Y 0.8685
356 A1U 0.8684
357 1PT 0.8683
358 MWM 0.8682
359 4CL 0.8680
360 3MC 0.8680
361 HY3 0.8678
362 0CT 0.8678
363 TZZ 0.8678
364 9XN 0.8677
365 MZG 0.8675
366 MCT 0.8674
367 5MH 0.8673
368 BR9 0.8669
369 1AB 0.8669
370 GVH 0.8667
371 WBU 0.8666
372 JZ1 0.8657
373 0R1 0.8656
374 JZ2 0.8655
375 ACM 0.8655
376 4JJ 0.8651
377 IHG 0.8650
378 4JP 0.8649
379 BZI 0.8649
380 1MR 0.8648
381 5UC 0.8646
382 FFP 0.8642
383 IND 0.8642
384 R8A 0.8639
385 EDG 0.8635
386 9CL 0.8633
387 PYJ 0.8631
388 NBE 0.8626
389 LZ1 0.8626
390 BZF 0.8625
391 IUR 0.8618
392 JZ3 0.8618
393 FLM 0.8612
394 73M 0.8600
395 PY7 0.8599
396 3FA 0.8595
397 AXO 0.8594
398 MBD 0.8583
399 SIN 0.8579
400 SEY 0.8576
401 HBX 0.8571
402 AF3 0.8571
403 PYG 0.8569
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H16; Ligand: COA; 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: 1h16.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H16; Ligand: COA; 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: 1h16.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1H16; Ligand: DTL; 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: 1h16.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1H16; Ligand: DTL; 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: 1h16.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1H16; Ligand: PYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1h16.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1H16; Ligand: PYR; 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: 1h16.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1H16; Ligand: DTL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1h16.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1H16; Ligand: DTL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1h16.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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