Receptor
PDB id Resolution Class Description Source Keywords
1qlb 2.33 Å EC: 1.3.99.1 RESPIRATORY COMPLEX II-LIKE FUMARATE REDUCTASE FROM WOLINELLA SUCCINOGENES WOLINELLA SUCCINOGENES OXIDOREDUCTASE CITRIC ACID CYCLE RESPIRATORY CHAIN IRON-SUPROTEIN
Ref.: STRUCTURE OF FUMARATE REDUCTASE FROM WOLINELLA SUCC AT 2.2 ANGSTROMS RESOLUTION NATURE V. 402 377 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1658;
D:1658;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
F3S B:1241;
E:1241;
Part of Protein;
Part of Protein;
none;
none;
submit data
295.795 Fe3 S4 S1[Fe...
FAD A:1656;
D:1656;
Part of Protein;
Part of Protein;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES B:1240;
E:1240;
Part of Protein;
Part of Protein;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
FUM A:1657;
D:1657;
Valid;
Valid;
none;
none;
submit data
116.072 C4 H4 O4 C(=C/...
HEM C:1255;
C:1256;
F:1255;
F:1256;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
LMT C:1257;
F:1257;
Invalid;
Invalid;
none;
none;
submit data
510.615 C24 H46 O11 CCCCC...
SF4 B:1242;
E:1242;
Part of Protein;
Part of Protein;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BS3 2.19 Å EC: 1.3.99.1 GLU C180 -> GLN VARIANT QUINOL:FUMARATE REDUCTASE FROM WOLINELLA SUCCINOGENES WOLINELLA SUCCINOGENES OXIDOREDUCTASE 2FE-2S 3D-STRUCTURE 3FE-4S 4FE-4S CITRIC ACID CYCLE DIHAEM CYTOCHROME B ELECTRON TRANSPORT FAD FLAVOPROTEIN FUMARATE REDUCTASE HEME ION-SULPHUR PROTEIN IRON IRON- SULFUR METAL-BINDING RESPIRATORY CHAIN SUCCINATE DEHYDROGENASE TRANSMEMBRANE TRICARBOXYLIC ACID CYCLE
Ref.: EXPERIMENTAL SUPPORT FOR THE E-PATHWAY HYPOTHESIS OF COUPLED TRANSMEMBRANE ELECTRON AND PROTON TRANSFER IN DIHEMIC QUINOL:FUMARATE REDUCTASE PROC.NATL.ACAD.SCI.USA V. 102 18860 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2BS3 - CIT C6 H8 O7 C(C(=O)O)C....
2 1QLB - FUM C4 H4 O4 C(=C/C(=O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BS3 - CIT C6 H8 O7 C(C(=O)O)C....
2 1QLB - FUM C4 H4 O4 C(=C/C(=O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BS3 - CIT C6 H8 O7 C(C(=O)O)C....
2 1QLB - FUM C4 H4 O4 C(=C/C(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FUM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MAE 1 1
2 FUM 1 1
3 CCU 0.5625 1
4 GLV 0.5 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: FUM; Similar ligands found: 674
No: Ligand Similarity coefficient
1 HX2 1.0000
2 H95 1.0000
3 SIN 1.0000
4 4MV 0.9994
5 NMG 0.9994
6 SHF 0.9980
7 MLT 0.9849
8 2RH 0.9801
9 TEO 0.9795
10 OAA 0.9792
11 DQY 0.9775
12 LMR 0.9754
13 SSN 0.9737
14 OKG 0.9732
15 CMS 0.9731
16 CRN 0.9724
17 IOM 0.9724
18 OK7 0.9711
19 DYA 0.9705
20 ABU 0.9700
21 DAS 0.9693
22 COI 0.9681
23 GLY GLY 0.9679
24 UGC 0.9679
25 VKC 0.9674
26 MLI 0.9663
27 LEU 0.9660
28 ITN 0.9656
29 PG3 0.9655
30 LEA 0.9653
31 PGA 0.9650
32 ASP 0.9634
33 DAV 0.9618
34 GLU 0.9616
35 ASN 0.9612
36 NXA 0.9607
37 P2D 0.9601
38 HDA 0.9596
39 MLA 0.9593
40 SHO 0.9585
41 PRO 0.9582
42 JYD 0.9580
43 OEG 0.9572
44 X1S 0.9570
45 IZC 0.9561
46 6NA 0.9555
47 GUA 0.9546
48 4JU 0.9541
49 URP 0.9536
50 1GP 0.9535
51 SPA 0.9530
52 KIV 0.9522
53 40E 0.9519
54 TFB 0.9516
55 G3P 0.9516
56 IQ0 0.9500
57 2MH 0.9500
58 HTX 0.9493
59 9X7 0.9489
60 98J 0.9489
61 C21 0.9481
62 A8C 0.9473
63 HSE 0.9471
64 VAL 0.9469
65 IPU 0.9469
66 SD4 0.9464
67 THR 0.9463
68 GLN 0.9458
69 1KA 0.9449
70 3PP 0.9448
71 K34 0.9439
72 MAK 0.9439
73 HCS 0.9426
74 EOU 0.9422
75 BEN 0.9421
76 PCA 0.9418
77 FBJ 0.9415
78 GLL 0.9408
79 BUB 0.9394
80 2KT 0.9393
81 54D 0.9392
82 HYP 0.9386
83 URO 0.9384
84 THE 0.9384
85 282 0.9381
86 BEZ 0.9378
87 AAE 0.9378
88 MLM 0.9376
89 FPI 0.9376
90 3PY 0.9376
91 CFI 0.9375
92 ISZ 0.9375
93 DE5 0.9373
94 IVA 0.9371
95 DMG 0.9368
96 HE2 0.9367
97 PSE 0.9366
98 3SL 0.9365
99 AC0 0.9363
100 HZP 0.9363
101 QFH 0.9363
102 9YL 0.9359
103 SER 0.9358
104 PHU 0.9355
105 SRT 0.9354
106 NCA 0.9353
107 FOA 0.9351
108 PG0 0.9350
109 TP5 0.9345
110 NIZ 0.9344
111 BAM 0.9344
112 UNU 0.9339
113 T2C 0.9337
114 HSO 0.9337
115 49F 0.9336
116 FW5 0.9336
117 FQI 0.9332
118 ZBT 0.9329
119 HBA 0.9328
120 YIV 0.9327
121 DAB 0.9327
122 NIO 0.9320
123 C5J 0.9319
124 BNS 0.9318
125 AKG 0.9316
126 SMV 0.9315
127 S0H 0.9314
128 1DU 0.9312
129 RSO 0.9310
130 R2B 0.9310
131 273 0.9308
132 AKB 0.9308
133 BHO 0.9307
134 NVA 0.9304
135 PGH 0.9304
136 AL0 0.9301
137 PPR 0.9299
138 7WG 0.9299
139 69O 0.9298
140 TZC 0.9297
141 UYA 0.9294
142 TZL 0.9293
143 FBM 0.9293
144 G3H 0.9292
145 PBC 0.9292
146 265 0.9292
147 TLA 0.9291
148 ABN 0.9290
149 XBT 0.9289
150 BHH 0.9288
151 HSM 0.9288
152 6PC 0.9286
153 ETX 0.9285
154 PUT 0.9285
155 HL5 0.9285
156 NTN 0.9284
157 MEQ 0.9278
158 ACH 0.9276
159 IHG 0.9273
160 R67 0.9272
161 SPV 0.9272
162 HP6 0.9272
163 16D 0.9271
164 PYC 0.9270
165 PEP 0.9269
166 LTL 0.9266
167 JZ5 0.9265
168 A20 0.9264
169 QSC 0.9263
170 5XA 0.9263
171 BP9 0.9262
172 2PC 0.9261
173 14J 0.9260
174 SS2 0.9258
175 GP9 0.9258
176 M4T 0.9257
177 AC5 0.9257
178 M6W 0.9250
179 TPA 0.9248
180 TAR 0.9248
181 HIO 0.9243
182 0VT 0.9241
183 OGA 0.9235
184 4VP 0.9234
185 2CO 0.9233
186 OPE 0.9230
187 XAP 0.9229
188 PRS 0.9228
189 HIU 0.9228
190 4LR 0.9227
191 7N0 0.9226
192 HQE 0.9225
193 13P 0.9222
194 3SS 0.9222
195 4HA 0.9220
196 IXW 0.9220
197 DSN 0.9219
198 O8Y 0.9219
199 BE7 0.9218
200 PZI 0.9217
201 2RA 0.9215
202 PLQ 0.9214
203 AHB 0.9214
204 VGL 0.9213
205 FEH 0.9211
206 7VD 0.9210
207 JBN 0.9208
208 TIU 0.9208
209 9X6 0.9207
210 F9P 0.9204
211 M58 0.9204
212 FPY 0.9200
213 ILE 0.9200
214 NBN 0.9197
215 HBX 0.9197
216 2HG 0.9196
217 AMC 0.9193
218 YCP 0.9193
219 PE9 0.9193
220 SS1 0.9192
221 ALO 0.9192
222 1PT 0.9192
223 MRZ 0.9190
224 NBZ 0.9190
225 GZ3 0.9190
226 MRY 0.9188
227 NBE 0.9186
228 KMH 0.9185
229 DBB 0.9182
230 MZ0 0.9182
231 PZA 0.9181
232 C2B 0.9179
233 QY9 0.9179
234 DGY 0.9177
235 IDM 0.9177
236 AML 0.9176
237 DPR 0.9174
238 PAE 0.9174
239 4JL 0.9172
240 S2G 0.9171
241 CP 0.9169
242 SYN 0.9169
243 PYJ 0.9168
244 EHM 0.9167
245 1DV 0.9165
246 TB6 0.9164
247 VAH 0.9162
248 PIY 0.9162
249 PAC 0.9162
250 FPN 0.9161
251 FBA 0.9160
252 0V5 0.9159
253 PEQ 0.9159
254 JZ7 0.9156
255 GJZ 0.9154
256 UY7 0.9154
257 M3H 0.9152
258 B24 0.9149
259 129 0.9149
260 1SH 0.9149
261 3OL 0.9147
262 3HR 0.9146
263 CIZ 0.9146
264 DA1 0.9146
265 RBL 0.9145
266 PAH 0.9145
267 ABA 0.9143
268 2AS 0.9142
269 APY 0.9141
270 7A8 0.9140
271 HVQ 0.9140
272 FAN 0.9139
273 MUC 0.9138
274 3AB 0.9138
275 DCL 0.9136
276 CEJ 0.9134
277 53C 0.9133
278 JAB 0.9132
279 3HB 0.9131
280 I1E 0.9131
281 DGN 0.9130
282 PKU 0.9126
283 MPD 0.9126
284 MZW 0.9124
285 PIM 0.9120
286 ICF 0.9119
287 PIS 0.9117
288 KG7 0.9116
289 GLY ALA 0.9115
290 3OC 0.9115
291 DE2 0.9113
292 CXF 0.9113
293 CSS 0.9112
294 PMB 0.9110
295 7BC 0.9110
296 AG2 0.9110
297 3HL 0.9109
298 3OM 0.9108
299 1MR 0.9108
300 192 0.9107
301 XM0 0.9103
302 XRG 0.9103
303 CYX 0.9103
304 ORN 0.9102
305 ZGL 0.9099
306 HYA 0.9099
307 GGL 0.9097
308 2IT 0.9097
309 BXO 0.9096
310 LER 0.9094
311 R1X 0.9093
312 PCT 0.9092
313 MTD 0.9090
314 PHB 0.9089
315 23B 0.9087
316 PAB 0.9086
317 4CS 0.9085
318 ONL 0.9085
319 GAB 0.9084
320 IT2 0.9084
321 SAT 0.9084
322 WCE 0.9083
323 KVV 0.9082
324 9TY 0.9079
325 1SP 0.9078
326 DGL 0.9077
327 9ON 0.9077
328 OHG 0.9072
329 CYS 0.9072
330 BHL 0.9070
331 J9N 0.9069
332 BUA 0.9069
333 URS 0.9068
334 LLQ 0.9068
335 LDU 0.9064
336 FB2 0.9061
337 R9M 0.9060
338 23W 0.9059
339 NPO 0.9058
340 CCE 0.9054
341 ITU 0.9054
342 MEU 0.9054
343 URQ 0.9053
344 HV2 0.9052
345 1SA 0.9051
346 HY1 0.9050
347 7CL 0.9050
348 5HN 0.9050
349 HBD 0.9048
350 RB5 0.9048
351 XYL 0.9048
352 5FX 0.9046
353 J1Z 0.9046
354 MET 0.9045
355 SGL 0.9045
356 1DQ 0.9044
357 4P5 0.9044
358 3V4 0.9042
359 NLE 0.9040
360 IMR 0.9037
361 FLA 0.9037
362 OVV 0.9036
363 1Y6 0.9035
364 BZX 0.9033
365 HIS 0.9031
366 1DJ 0.9029
367 SKG 0.9029
368 FOC 0.9029
369 8GC 0.9028
370 MNN 0.9027
371 NVI 0.9026
372 NF3 0.9023
373 PLU 0.9022
374 3NT 0.9022
375 XUL 0.9022
376 HY3 0.9020
377 GG6 0.9019
378 BAL 0.9014
379 ROR 0.9013
380 2EH 0.9012
381 BMD 0.9009
382 XLS 0.9009
383 P72 0.9008
384 J9T 0.9004
385 K7M 0.9004
386 8K2 0.9003
387 SAR 0.9002
388 3HG 0.9000
389 3BZ 0.8997
390 DS0 0.8993
391 EDG 0.8992
392 BVG 0.8992
393 9J3 0.8991
394 PBZ 0.8991
395 SW7 0.8989
396 GOJ 0.8987
397 N6C 0.8987
398 SC2 0.8986
399 2HA 0.8985
400 JZ9 0.8984
401 SMB 0.8983
402 DXX 0.8982
403 FSG 0.8982
404 BRT 0.8981
405 PRI 0.8976
406 1P3 0.8976
407 1AB 0.8976
408 MXN 0.8975
409 IP8 0.8974
410 JAE 0.8970
411 0CT 0.8970
412 BZF 0.8969
413 KMT 0.8969
414 GAG 0.8968
415 MED 0.8967
416 HMH 0.8966
417 3S5 0.8965
418 BU4 0.8965
419 SHV 0.8963
420 51F 0.8962
421 AC6 0.8961
422 GPF 0.8959
423 8EW 0.8959
424 RNT 0.8959
425 GPJ 0.8958
426 826 0.8958
427 K6H 0.8958
428 9CL 0.8958
429 BZI 0.8957
430 4MA 0.8956
431 A3B 0.8951
432 DTL 0.8946
433 03W 0.8946
434 DEN 0.8945
435 BVC 0.8945
436 PPV 0.8945
437 PEA 0.8944
438 F60 0.8942
439 S8V 0.8939
440 2PN 0.8936
441 CHT 0.8936
442 HPV 0.8934
443 IND 0.8932
444 BUQ 0.8932
445 174 0.8932
446 069 0.8930
447 45L 0.8930
448 4ZA 0.8929
449 LZ1 0.8929
450 ABV 0.8928
451 NMJ 0.8927
452 PEL 0.8927
453 2K4 0.8922
454 FCN 0.8922
455 14O 0.8921
456 7MU 0.8921
457 PYF 0.8921
458 KOJ 0.8920
459 GBD 0.8919
460 717 0.8916
461 BAE 0.8915
462 LNO 0.8914
463 5H1 0.8913
464 GOL 0.8911
465 4WL 0.8911
466 QDK 0.8910
467 RSF 0.8910
468 M45 0.8909
469 4JP 0.8909
470 SEP 0.8906
471 ACA 0.8906
472 POA 0.8905
473 25T 0.8905
474 ODV 0.8904
475 TH7 0.8901
476 SME 0.8900
477 60P 0.8899
478 3QM 0.8897
479 OEM 0.8895
480 HUI 0.8895
481 6AI 0.8893
482 DTU 0.8891
483 C2N 0.8891
484 KVP 0.8891
485 CCD 0.8888
486 0R1 0.8887
487 OXQ 0.8887
488 DMV 0.8887
489 PY7 0.8886
490 HDH 0.8883
491 XPO 0.8883
492 2EZ 0.8883
493 5MI 0.8880
494 DHI 0.8879
495 POP 0.8879
496 TZE 0.8878
497 CEE 0.8876
498 271 0.8876
499 I4B 0.8876
500 Z82 0.8874
501 NM3 0.8873
502 GVH 0.8872
503 258 0.8870
504 39J 0.8869
505 3OH 0.8869
506 MPI 0.8866
507 I2M 0.8866
508 DCY 0.8865
509 CHH 0.8863
510 AX7 0.8863
511 2HE 0.8857
512 173 0.8856
513 NCT 0.8855
514 TAU 0.8855
515 SAL 0.8853
516 5MB 0.8853
517 NM2 0.8853
518 TH0 0.8852
519 HHI 0.8851
520 2CK 0.8844
521 4SD 0.8841
522 270 0.8840
523 EGD 0.8840
524 PAF 0.8834
525 FBW 0.8831
526 2MI 0.8831
527 MTG 0.8830
528 4SV 0.8820
529 QMP 0.8814
530 GVG 0.8814
531 VNJ 0.8813
532 INO 0.8811
533 3SK 0.8810
534 264 0.8810
535 G2H 0.8807
536 DIR 0.8806
537 4JT 0.8806
538 3U4 0.8804
539 DHB 0.8803
540 MSF 0.8802
541 4A3 0.8800
542 TYL 0.8799
543 11S 0.8797
544 ES6 0.8797
545 LYS 0.8796
546 2FT 0.8796
547 H8N 0.8796
548 SLP 0.8794
549 ICN 0.8793
550 3GR 0.8792
551 8X3 0.8792
552 HG3 0.8791
553 HGA 0.8791
554 8EZ 0.8791
555 RMN 0.8786
556 RBJ 0.8786
557 1DH 0.8784
558 3ID 0.8784
559 SMN 0.8784
560 FJO 0.8783
561 F05 0.8783
562 KPL 0.8782
563 4NC 0.8778
564 6M4 0.8777
565 BNF 0.8777
566 P9P 0.8776
567 FCR 0.8776
568 BE2 0.8776
569 9RW 0.8775
570 DMD 0.8775
571 2HO 0.8773
572 51R 0.8770
573 3HM 0.8769
574 ES9 0.8767
575 FHB 0.8763
576 3PG 0.8763
577 8OZ 0.8761
578 152 0.8760
579 A09 0.8760
580 NNO 0.8759
581 AT3 0.8755
582 OTR 0.8752
583 IHB 0.8752
584 ISU 0.8752
585 QSB 0.8747
586 PRA 0.8746
587 MYJ 0.8746
588 FK1 0.8745
589 1WD 0.8744
590 CHB 0.8744
591 TIH 0.8744
592 9TW 0.8743
593 P7I 0.8743
594 0OC 0.8741
595 AOA 0.8741
596 93K 0.8740
597 AAS 0.8739
598 AHR 0.8739
599 NPY 0.8738
600 MDN 0.8738
601 JB5 0.8735
602 2AL 0.8735
603 SAN 0.8734
604 QUZ 0.8734
605 TSU 0.8734
606 P92 0.8733
607 BTL 0.8732
608 7WV 0.8731
609 JKE 0.8731
610 H4N 0.8730
611 5AC 0.8726
612 DHS 0.8726
613 3BB 0.8726
614 COM 0.8726
615 PO6 0.8724
616 2PG 0.8724
617 IWT 0.8723
618 DAL DAL 0.8722
619 03V 0.8719
620 N4B 0.8719
621 HQJ 0.8717
622 WOT 0.8716
623 COU 0.8716
624 FBB 0.8716
625 SNE 0.8716
626 FBS 0.8716
627 2AQ 0.8712
628 3YP 0.8706
629 3AL 0.8701
630 1AC 0.8700
631 OCH 0.8699
632 6M9 0.8698
633 JLZ 0.8694
634 L5V 0.8693
635 K2T 0.8692
636 RUU 0.8691
637 DSS 0.8687
638 ES5 0.8684
639 YRL 0.8676
640 VX 0.8676
641 F4E 0.8672
642 HX4 0.8670
643 JFJ 0.8667
644 ETM 0.8664
645 4FA 0.8658
646 4J8 0.8655
647 4FS 0.8647
648 6TZ 0.8645
649 H42 0.8645
650 24T 0.8644
651 MPV 0.8640
652 C2A 0.8639
653 8NY 0.8637
654 E5X 0.8635
655 BZ3 0.8623
656 EFS 0.8613
657 HYN 0.8611
658 TCA 0.8610
659 4JM 0.8610
660 PC 0.8604
661 1P8 0.8603
662 5OB 0.8601
663 650 0.8599
664 AEF 0.8599
665 5WV 0.8595
666 CPZ 0.8593
667 MSE 0.8589
668 KKN 0.8571
669 3PF 0.8559
670 ANN 0.8553
671 MSR 0.8552
672 5XC 0.8530
673 261 0.8521
674 5QY 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BS3; Ligand: CIT; 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: 2bs3.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BS3; Ligand: CIT; 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: 2bs3.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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