Receptor
PDB id Resolution Class Description Source Keywords
3DGB 1.7 Å EC: 5.5.1.1 CRYSTAL STRUCTURE OF MUCONATE LACTONIZING ENZYME FROM PSEUDO FLUORESCENS COMPLEXED WITH MUCONOLACTONE PSEUDOMONAS FLUORESCENS MUCONATE LACTONIZING ENZYME MUCONOLACTONE BINDING ISOMERASSTRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE NSGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: STEREOCHEMICALLY DISTINCT MECHANISMS I FAMILIES OF CIS,CIS-MUCONATE LACTONIZING ENZYMES BIOCHEMISTRY V. 48 1445 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:2001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
MUC A:1001;
Valid;
none;
submit data
142.109 C6 H6 O4 C1=CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DGB 1.7 Å EC: 5.5.1.1 CRYSTAL STRUCTURE OF MUCONATE LACTONIZING ENZYME FROM PSEUDO FLUORESCENS COMPLEXED WITH MUCONOLACTONE PSEUDOMONAS FLUORESCENS MUCONATE LACTONIZING ENZYME MUCONOLACTONE BINDING ISOMERASSTRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE NSGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: EVOLUTION OF ENZYMATIC ACTIVITIES IN THE ENOLASE SUPERFAMILY: STEREOCHEMICALLY DISTINCT MECHANISMS I FAMILIES OF CIS,CIS-MUCONATE LACTONIZING ENZYMES BIOCHEMISTRY V. 48 1445 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DGB - MUC C6 H6 O4 C1=CC(=O)O....
2 3FJ4 - MUC C6 H6 O4 C1=CC(=O)O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DGB - MUC C6 H6 O4 C1=CC(=O)O....
2 3FJ4 - MUC C6 H6 O4 C1=CC(=O)O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DGB - MUC C6 H6 O4 C1=CC(=O)O....
2 3FJ4 - MUC C6 H6 O4 C1=CC(=O)O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MUC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MUC 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MUC; Similar ligands found: 650
No: Ligand Similarity coefficient
1 9CA 1.0000
2 M4T 0.9669
3 PAC 0.9654
4 OKG 0.9647
5 PHU 0.9646
6 IZC 0.9637
7 URO 0.9626
8 3OC 0.9584
9 S2G 0.9556
10 K6H 0.9555
11 ONL 0.9547
12 I4B 0.9531
13 QY9 0.9517
14 7BC 0.9513
15 OTR 0.9512
16 CFI 0.9502
17 R9M 0.9496
18 GUA 0.9490
19 PIM 0.9490
20 7WG 0.9488
21 OEG 0.9488
22 AKG 0.9477
23 KTA 0.9464
24 271 0.9463
25 NYL 0.9455
26 XIZ 0.9446
27 GGL 0.9443
28 PMF 0.9439
29 AC6 0.9431
30 49F 0.9426
31 9J3 0.9422
32 RMN 0.9421
33 PZI 0.9421
34 GLN 0.9420
35 SPA 0.9420
36 TYL 0.9415
37 PO6 0.9414
38 HCI 0.9412
39 LMR 0.9410
40 HY1 0.9405
41 OGA 0.9404
42 GLU 0.9404
43 MLT 0.9400
44 SIN 0.9397
45 ISZ 0.9392
46 P7Y 0.9389
47 BHO 0.9384
48 FK8 0.9384
49 NIZ 0.9383
50 URQ 0.9380
51 OAA 0.9379
52 OHP 0.9378
53 HZP 0.9376
54 RSO 0.9376
55 BNF 0.9372
56 K34 0.9372
57 3HP 0.9371
58 YRL 0.9371
59 2HG 0.9368
60 TPA 0.9362
61 J0Z 0.9353
62 3AB 0.9352
63 7N0 0.9343
64 9ON 0.9342
65 URP 0.9339
66 ICB 0.9338
67 PBA 0.9335
68 PEA 0.9334
69 HYP 0.9331
70 LTL 0.9331
71 BEZ 0.9329
72 173 0.9327
73 FOC 0.9327
74 SNE 0.9326
75 OK7 0.9326
76 0VT 0.9324
77 JZ7 0.9322
78 9RW 0.9322
79 GRO 0.9322
80 HBA 0.9321
81 2F6 0.9320
82 2HC 0.9312
83 HDH 0.9308
84 268 0.9305
85 SMN 0.9305
86 PEL 0.9304
87 51R 0.9303
88 IOM 0.9301
89 HC4 0.9301
90 SD4 0.9294
91 HSM 0.9292
92 BNS 0.9291
93 6JN 0.9290
94 LEU 0.9290
95 GJZ 0.9289
96 MAE 0.9288
97 F9P 0.9286
98 CXF 0.9285
99 TLA 0.9285
100 1SA 0.9284
101 HPV 0.9284
102 2IT 0.9284
103 7A8 0.9284
104 QDK 0.9282
105 PGH 0.9282
106 DGL 0.9279
107 6NA 0.9278
108 IXW 0.9277
109 DHR 0.9273
110 FBM 0.9272
111 DGN 0.9272
112 13P 0.9272
113 SRT 0.9269
114 3HB 0.9269
115 K7M 0.9266
116 A29 0.9264
117 TEO 0.9264
118 152 0.9264
119 ROR 0.9264
120 HIS 0.9263
121 PRA 0.9262
122 3HG 0.9262
123 4MV 0.9261
124 NMG 0.9260
125 717 0.9259
126 98J 0.9255
127 DHS 0.9254
128 FAN 0.9253
129 PBC 0.9252
130 N4B 0.9252
131 DYT 0.9252
132 GP9 0.9252
133 GAB 0.9252
134 COI 0.9246
135 AL0 0.9245
136 ASP 0.9245
137 SAN 0.9244
138 GLL 0.9243
139 RBL 0.9241
140 YPN 0.9240
141 KOJ 0.9240
142 MEQ 0.9238
143 4VP 0.9225
144 EHM 0.9225
145 SHF 0.9224
146 4FA 0.9224
147 40E 0.9224
148 PIY 0.9224
149 CMS 0.9222
150 HHI 0.9221
151 DHI 0.9221
152 RNS 0.9220
153 BEN 0.9218
154 RBJ 0.9217
155 AEF 0.9216
156 M45 0.9215
157 ASN 0.9215
158 LNO 0.9214
159 B85 0.9212
160 ZGL 0.9211
161 ITN 0.9210
162 FCR 0.9210
163 6PC 0.9207
164 PKU 0.9207
165 R9S 0.9207
166 VKC 0.9205
167 DAS 0.9203
168 SME 0.9202
169 GLY GLY 0.9202
170 HPS 0.9200
171 129 0.9200
172 JZ5 0.9199
173 QMP 0.9198
174 SAF 0.9194
175 5FX 0.9193
176 PHE 0.9192
177 Q9Z 0.9191
178 2AL 0.9191
179 KMH 0.9189
180 8OZ 0.9187
181 XUL 0.9186
182 CEE 0.9186
183 263 0.9185
184 HIO 0.9183
185 BHH 0.9183
186 GLY ALA 0.9181
187 3YP 0.9181
188 UGC 0.9179
189 BAM 0.9178
190 CRN 0.9177
191 RUJ 0.9177
192 7C3 0.9177
193 L5V 0.9175
194 4HP 0.9175
195 B3U 0.9175
196 53C 0.9174
197 PMB 0.9173
198 SS2 0.9172
199 1DU 0.9169
200 1DJ 0.9167
201 ZBT 0.9167
202 SYC 0.9166
203 PG3 0.9166
204 PEP 0.9166
205 258 0.9165
206 3QM 0.9165
207 M6W 0.9164
208 TFB 0.9161
209 54D 0.9154
210 FBW 0.9154
211 XYL 0.9153
212 RB5 0.9153
213 RB0 0.9153
214 3PG 0.9151
215 2FT 0.9150
216 TIH 0.9149
217 1GP 0.9149
218 NTN 0.9147
219 H95 0.9146
220 TAR 0.9146
221 RAT 0.9144
222 6FZ 0.9141
223 OSE 0.9141
224 AHC 0.9141
225 2RH 0.9141
226 HSO 0.9139
227 OHJ 0.9138
228 FUM 0.9138
229 4CS 0.9136
230 G3H 0.9136
231 G3P 0.9136
232 JFJ 0.9136
233 3V4 0.9135
234 NCA 0.9134
235 PRO 0.9133
236 I1E 0.9133
237 XM0 0.9133
238 XCZ 0.9133
239 HPP 0.9132
240 J9N 0.9131
241 HYA 0.9128
242 MAH 0.9126
243 MNN 0.9125
244 DS0 0.9123
245 KDF 0.9122
246 MZW 0.9120
247 LT1 0.9119
248 2LP 0.9118
249 PH3 0.9117
250 XBT 0.9117
251 HIC 0.9117
252 ORN 0.9116
253 FP1 0.9116
254 MEV 0.9113
255 FQI 0.9113
256 PPY 0.9110
257 261 0.9110
258 RNT 0.9107
259 VGL 0.9107
260 FBA 0.9106
261 NIO 0.9106
262 C2A 0.9105
263 PPT 0.9103
264 NCT 0.9103
265 OHG 0.9101
266 HDA 0.9101
267 23J 0.9099
268 CYX 0.9097
269 M3H 0.9096
270 OMD 0.9096
271 LDP 0.9095
272 2CO 0.9094
273 MXN 0.9094
274 JYD 0.9094
275 AMH 0.9094
276 CXP 0.9089
277 TZL 0.9088
278 AEG 0.9088
279 JZ4 0.9087
280 1LN 0.9084
281 3SL 0.9083
282 XLS 0.9081
283 R2P 0.9081
284 AC5 0.9080
285 51F 0.9075
286 ORO 0.9073
287 LLQ 0.9072
288 FB2 0.9069
289 ALA ALA 0.9068
290 GLO 0.9066
291 FBJ 0.9066
292 069 0.9066
293 KPL 0.9065
294 PZA 0.9065
295 NLE 0.9064
296 URS 0.9063
297 YCP 0.9062
298 BSX 0.9060
299 SYM 0.9060
300 LFC 0.9058
301 1DV 0.9057
302 FEH 0.9055
303 BP9 0.9055
304 PRS 0.9055
305 CCE 0.9054
306 8EW 0.9052
307 SHV 0.9051
308 ASC 0.9051
309 S8V 0.9047
310 MRZ 0.9047
311 B40 0.9045
312 TZE 0.9044
313 DMV 0.9043
314 BHA 0.9042
315 7MU 0.9040
316 SHI 0.9036
317 DOB 0.9035
318 PBN 0.9034
319 SEP 0.9030
320 C5A 0.9029
321 NXA 0.9026
322 SPV 0.9025
323 LER 0.9024
324 GZ3 0.9024
325 449 0.9023
326 4M0 0.9021
327 ILE 0.9020
328 SS1 0.9020
329 DIR 0.9019
330 41K 0.9019
331 FA0 0.9017
332 EKZ 0.9017
333 4JM 0.9016
334 HG3 0.9015
335 PRY 0.9014
336 MES 0.9013
337 RUY 0.9012
338 2PG 0.9012
339 S2P 0.9011
340 DOR 0.9011
341 HX2 0.9010
342 MRY 0.9008
343 3S5 0.9008
344 SJ5 0.9005
345 DLY 0.9005
346 LYS 0.9005
347 2AS 0.9005
348 264 0.9003
349 HL5 0.9002
350 3C4 0.9002
351 HTX 0.8998
352 DAV 0.8994
353 PCA 0.8994
354 GPF 0.8993
355 T9G 0.8992
356 4JL 0.8990
357 8GL 0.8988
358 DAL DAL 0.8987
359 4XR 0.8987
360 42J 0.8984
361 PPR 0.8979
362 NFM 0.8979
363 5XA 0.8979
364 DZA 0.8979
365 23W 0.8978
366 69O 0.8977
367 QUS 0.8977
368 3LR 0.8974
369 OOG 0.8971
370 HGA 0.8971
371 TPO 0.8969
372 FUD 0.8968
373 MET 0.8967
374 SC2 0.8966
375 PAF 0.8964
376 5XB 0.8963
377 TIU 0.8962
378 HSE 0.8962
379 PSJ 0.8962
380 ACH 0.8960
381 HQ9 0.8960
382 3AL 0.8958
383 15N 0.8955
384 SYN 0.8954
385 APG 0.8953
386 PEQ 0.8952
387 AHN 0.8952
388 THE 0.8948
389 HHH 0.8946
390 CHH 0.8944
391 AOT 0.8944
392 P80 0.8943
393 FA1 0.8943
394 SHA 0.8940
395 2BX 0.8939
396 TYR 0.8937
397 UY7 0.8936
398 PGA 0.8933
399 KMT 0.8932
400 AC0 0.8930
401 Q03 0.8929
402 ICF 0.8927
403 650 0.8927
404 4SD 0.8927
405 92K 0.8925
406 0V5 0.8924
407 0OC 0.8922
408 5HY 0.8919
409 SKG 0.8917
410 JF6 0.8916
411 N9J 0.8915
412 SOL 0.8913
413 I2M 0.8912
414 IP0 0.8911
415 RUU 0.8911
416 AOS 0.8908
417 GWM 0.8908
418 AMC 0.8907
419 UYA 0.8907
420 M6H 0.8907
421 PJL 0.8907
422 GLY CYS 0.8903
423 ACA 0.8902
424 Q02 0.8902
425 ISD 0.8901
426 PSE 0.8901
427 MZT 0.8900
428 4PN 0.8896
429 7UC 0.8896
430 AHR 0.8894
431 1CO 0.8893
432 DYA 0.8893
433 QSC 0.8893
434 IP8 0.8891
435 ONH 0.8890
436 SSN 0.8890
437 SAL 0.8889
438 HFA 0.8884
439 DTL 0.8883
440 TAG 0.8883
441 LPK 0.8882
442 N6C 0.8880
443 DHY 0.8879
444 3BU 0.8877
445 SYG 0.8877
446 LYL 0.8876
447 A09 0.8876
448 IQ0 0.8875
449 8EZ 0.8874
450 MED 0.8872
451 9X6 0.8872
452 HJH 0.8871
453 S24 0.8871
454 QFH 0.8870
455 NFA 0.8868
456 IFM 0.8864
457 PYJ 0.8862
458 PAE 0.8862
459 M58 0.8861
460 LDU 0.8861
461 GPJ 0.8860
462 KDG 0.8860
463 FHC 0.8859
464 2FY 0.8859
465 R2B 0.8855
466 HBU 0.8854
467 WTZ 0.8854
468 JRB 0.8854
469 PAH 0.8853
470 ABN 0.8851
471 1X4 0.8850
472 SDD 0.8846
473 AHB 0.8844
474 MLE 0.8843
475 T2C 0.8842
476 FPI 0.8842
477 1AB 0.8841
478 SOR 0.8838
479 GZL 0.8838
480 R1X 0.8836
481 5AC 0.8836
482 0JD 0.8835
483 P58 0.8834
484 4TB 0.8834
485 273 0.8832
486 AG2 0.8827
487 AS3 0.8827
488 CIT 0.8826
489 APY 0.8824
490 9X7 0.8823
491 AT3 0.8821
492 4LR 0.8820
493 PY7 0.8817
494 DPN 0.8817
495 4NG 0.8816
496 61M 0.8816
497 IMR 0.8815
498 VAH 0.8814
499 FLC 0.8814
500 HNK 0.8812
501 EV0 0.8812
502 4RW 0.8811
503 PRZ 0.8810
504 BPW 0.8810
505 FW5 0.8809
506 1BN 0.8807
507 47J 0.8806
508 GBN 0.8806
509 1DQ 0.8805
510 MTL 0.8804
511 X1S 0.8803
512 OEM 0.8802
513 PG0 0.8800
514 9CL 0.8798
515 RIB 0.8797
516 BE2 0.8795
517 TYE 0.8794
518 9SE 0.8792
519 2CL 0.8791
520 SR1 0.8788
521 B24 0.8787
522 ABU 0.8787
523 TZM 0.8786
524 X1R 0.8785
525 DPF 0.8785
526 SSB 0.8785
527 DPR 0.8783
528 HL4 0.8780
529 46P 0.8778
530 6M4 0.8778
531 EDR 0.8775
532 BDR 0.8767
533 AMQ 0.8766
534 GVM 0.8763
535 4VY 0.8761
536 NBE 0.8760
537 2PC 0.8759
538 3OL 0.8757
539 JZ3 0.8757
540 G4D 0.8753
541 6LW 0.8753
542 23B 0.8752
543 DMJ 0.8749
544 HF2 0.8748
545 CCD 0.8748
546 LRH 0.8746
547 JBN 0.8745
548 2XX 0.8742
549 HA5 0.8741
550 SVJ 0.8740
551 IT2 0.8739
552 IHG 0.8738
553 MSE 0.8737
554 LEA 0.8736
555 DAB 0.8735
556 9YL 0.8732
557 DGJ 0.8732
558 CFA 0.8731
559 NM3 0.8730
560 9RH 0.8727
561 GAG 0.8725
562 3U4 0.8724
563 B2J 0.8723
564 MLI 0.8723
565 2TQ 0.8719
566 DII 0.8716
567 1P3 0.8716
568 PRI 0.8716
569 YIV 0.8714
570 G2H 0.8711
571 XYH 0.8709
572 3PP 0.8706
573 OXQ 0.8705
574 EDG 0.8703
575 ES6 0.8702
576 BHU 0.8700
577 16D 0.8700
578 9KH 0.8698
579 NVA 0.8692
580 HCS 0.8690
581 EN1 0.8688
582 E4P 0.8686
583 DTU 0.8685
584 AZF 0.8681
585 SMV 0.8680
586 1SH 0.8676
587 PSV 0.8674
588 XQI 0.8671
589 NM2 0.8670
590 CP 0.8667
591 4A5 0.8666
592 PC 0.8665
593 3SK 0.8665
594 A3M 0.8663
595 1MR 0.8662
596 C53 0.8661
597 MLA 0.8660
598 TNE 0.8656
599 DTY 0.8656
600 LFR 0.8655
601 34V 0.8654
602 JZ1 0.8654
603 H76 0.8654
604 GAL 0.8653
605 AGK 0.8652
606 ENO 0.8652
607 UN1 0.8652
608 QIC 0.8652
609 PTO 0.8648
610 2UB 0.8648
611 GYE 0.8647
612 MPD 0.8646
613 FUB 0.8639
614 GIF 0.8638
615 PPV 0.8638
616 OXZ 0.8637
617 AH8 0.8637
618 ALO 0.8636
619 56D 0.8634
620 KIV 0.8632
621 MZ0 0.8632
622 DCL 0.8631
623 8U3 0.8626
624 IFL 0.8624
625 WOT 0.8620
626 HE2 0.8619
627 CIZ 0.8616
628 ISA 0.8615
629 GCO 0.8611
630 2EZ 0.8610
631 ICT 0.8609
632 BCU 0.8608
633 IF7 0.8602
634 IT9 0.8599
635 P22 0.8595
636 HY3 0.8595
637 FA3 0.8586
638 BVC 0.8582
639 HVQ 0.8580
640 60P 0.8571
641 FSG 0.8570
642 GBD 0.8568
643 RLG 0.8565
644 2DR 0.8564
645 S0H 0.8560
646 NSB 0.8560
647 AI2 0.8549
648 4SV 0.8547
649 R8A 0.8536
650 7VD 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DGB; Ligand: MUC; 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: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3DGB; Ligand: MUC; 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: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DGB; Ligand: MUC; 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: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3DGB; Ligand: MUC; 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: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3DGB; Ligand: MUC; 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: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3DGB; Ligand: MUC; Similar sites found with APoc: 3
This union binding pocket(no: 6) in the query (biounit: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3DER ALA LYS 38.5507
2 3DER ALA LYS 38.5507
3 3DER ALA LYS 38.5507
Pocket No.: 7; Query (leader) PDB : 3DGB; Ligand: MUC; 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: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3DGB; Ligand: MUC; 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: 3dgb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3DGB; Ligand: MUC; Similar sites found with APoc: 3
This union binding pocket(no: 9) in the query (biounit: 3dgb.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3DER ALA LYS 38.5507
2 3DER ALA LYS 38.5507
3 3DER ALA LYS 38.5507
Pocket No.: 10; Query (leader) PDB : 3DGB; Ligand: MUC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3dgb.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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