Receptor
PDB id Resolution Class Description Source Keywords
2Y7G 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-KETO-5-AMINOHEXANOATE CLEAVAGE EN (KCE) FROM C. CLOACAMONAS ACIDAMINOVORANS IN COMPLEX WITH TP RODUCT ACETOACETATE CANDIDATUS CLOACAMONAS ACIDAMINOVORANSORGANISM_TAXID: 456827 LYASE ALDOLASE
Ref.: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME: A COMMON F AN UNCOMMON CLAISEN-TYPE CONDENSATION. J.BIOL.CHEM. V. 286 27399 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AAE A:1276;
B:1276;
Valid;
Valid;
none;
none;
submit data
102.089 C4 H6 O3 CC(=O...
GOL A:1277;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:1278;
A:1279;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ZN A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y7G 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-KETO-5-AMINOHEXANOATE CLEAVAGE EN (KCE) FROM C. CLOACAMONAS ACIDAMINOVORANS IN COMPLEX WITH TP RODUCT ACETOACETATE CANDIDATUS CLOACAMONAS ACIDAMINOVORANSORGANISM_TAXID: 456827 LYASE ALDOLASE
Ref.: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME: A COMMON F AN UNCOMMON CLAISEN-TYPE CONDENSATION. J.BIOL.CHEM. V. 286 27399 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2Y7F - KMH C6 H11 N O3 C[C@@H](CC....
2 2Y7G - AAE C4 H6 O3 CC(=O)CC(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2Y7F - KMH C6 H11 N O3 C[C@@H](CC....
2 2Y7G - AAE C4 H6 O3 CC(=O)CC(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2Y7F - KMH C6 H11 N O3 C[C@@H](CC....
2 2Y7G - AAE C4 H6 O3 CC(=O)CC(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AAE; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 AAE 1 1
2 P2D 0.6 0.625
3 MLA 0.6 0.631579
4 SHF 0.5 0.777778
5 6JN 0.473684 0.65
6 PPI 0.470588 0.625
7 PYR 0.411765 0.625
8 BUQ 0.4 0.6
9 BUA 0.4 0.611111
Similar Ligands (3D)
Ligand no: 1; Ligand: AAE; Similar ligands found: 602
No: Ligand Similarity coefficient
1 MLI 1.0000
2 DMG 0.9997
3 C5J 0.9992
4 MLM 0.9977
5 IVA 0.9950
6 3HL 0.9907
7 3HR 0.9857
8 IPU 0.9698
9 DTL 0.9686
10 PRO 0.9679
11 OXL 0.9657
12 3PY 0.9649
13 HV2 0.9628
14 THR 0.9586
15 IHG 0.9569
16 KIV 0.9560
17 VAL 0.9557
18 MAK 0.9556
19 BAL 0.9548
20 2PC 0.9523
21 DPR 0.9523
22 SER 0.9522
23 JBN 0.9521
24 ALO 0.9514
25 BU4 0.9511
26 DSN 0.9508
27 NMG 0.9501
28 PYC 0.9487
29 TFB 0.9483
30 BUB 0.9477
31 69O 0.9473
32 TZC 0.9472
33 PRS 0.9471
34 SIN 0.9471
35 3BB 0.9470
36 MPD 0.9463
37 24T 0.9460
38 BVC 0.9458
39 BMD 0.9457
40 MZ0 0.9451
41 MSF 0.9450
42 AOA 0.9445
43 FOA 0.9440
44 3OH 0.9438
45 MAE 0.9436
46 2HE 0.9432
47 S0H 0.9429
48 KG7 0.9428
49 DCL 0.9428
50 DXX 0.9427
51 CYS 0.9425
52 IQ0 0.9424
53 2KT 0.9423
54 CP 0.9411
55 SAR 0.9410
56 HDA 0.9410
57 TP5 0.9405
58 E60 0.9398
59 DBB 0.9383
60 273 0.9381
61 TB6 0.9380
62 C21 0.9380
63 EGD 0.9379
64 FUM 0.9378
65 ABU 0.9376
66 CHT 0.9375
67 NVI 0.9375
68 PAE 0.9374
69 265 0.9370
70 DTT 0.9370
71 23W 0.9366
72 MRY 0.9365
73 CEJ 0.9364
74 C2N 0.9362
75 SSN 0.9360
76 SAT 0.9358
77 AKB 0.9355
78 A3B 0.9350
79 PRI 0.9349
80 7VD 0.9349
81 T2C 0.9347
82 MTG 0.9344
83 HSE 0.9342
84 LEA 0.9339
85 284 0.9332
86 AMC 0.9331
87 1DU 0.9328
88 HCS 0.9326
89 ALQ 0.9325
90 TAU 0.9323
91 LER 0.9322
92 FBJ 0.9321
93 SMV 0.9321
94 MZW 0.9320
95 OXD 0.9320
96 JAB 0.9316
97 PUT 0.9314
98 192 0.9311
99 HX2 0.9304
100 JZ5 0.9303
101 DGY 0.9301
102 J1Z 0.9300
103 DCY 0.9295
104 2RA 0.9291
105 4MV 0.9291
106 FCN 0.9283
107 BAE 0.9283
108 PCT 0.9281
109 2EZ 0.9279
110 SLP 0.9278
111 FW5 0.9275
112 BXO 0.9274
113 A2Q 0.9274
114 M6W 0.9273
115 HVQ 0.9271
116 03W 0.9268
117 XAP 0.9260
118 HUI 0.9259
119 8X3 0.9259
120 LAC 0.9257
121 HSM 0.9253
122 ETX 0.9251
123 BVG 0.9248
124 ITU 0.9241
125 25T 0.9240
126 ABA 0.9230
127 1AC 0.9230
128 RCO 0.9228
129 HGY 0.9228
130 POA 0.9226
131 IDH 0.9225
132 GOL 0.9224
133 DE2 0.9223
134 HIU 0.9222
135 URA 0.9220
136 1SP 0.9215
137 DAL 0.9215
138 SYN 0.9214
139 4JU 0.9209
140 ETM 0.9209
141 ABN 0.9207
142 3CH 0.9203
143 ALA 0.9202
144 H95 0.9198
145 HAI 0.9196
146 54D 0.9195
147 MTD 0.9192
148 CRS 0.9190
149 1DH 0.9190
150 OXM 0.9190
151 CXL 0.9189
152 CYH 0.9189
153 DUC 0.9188
154 SMB 0.9185
155 DSS 0.9185
156 XBT 0.9184
157 39J 0.9179
158 APY 0.9179
159 OHG 0.9178
160 2OP 0.9177
161 2MH 0.9177
162 1DQ 0.9175
163 9YL 0.9174
164 6PC 0.9170
165 HPY 0.9167
166 HZP 0.9167
167 PCA 0.9163
168 HGQ 0.9161
169 HYN 0.9160
170 QSC 0.9159
171 UY7 0.9154
172 ILE 0.9152
173 HBS 0.9152
174 GBD 0.9150
175 OAA 0.9149
176 BEZ 0.9149
177 RP7 0.9149
178 7EX 0.9148
179 4HA 0.9146
180 BVF 0.9145
181 9X7 0.9144
182 HYP 0.9144
183 282 0.9142
184 HBR 0.9139
185 BEN 0.9138
186 BAM 0.9135
187 PPF 0.9134
188 LG5 0.9132
189 FJO 0.9132
190 M3T 0.9130
191 JZ7 0.9124
192 2IM 0.9122
193 5AC 0.9121
194 PY7 0.9120
195 1MR 0.9117
196 YCP 0.9117
197 LG3 0.9116
198 NBZ 0.9113
199 26D 0.9110
200 HBX 0.9110
201 CYT 0.9110
202 FPI 0.9108
203 NBN 0.9106
204 9CL 0.9100
205 HEW 0.9100
206 NCA 0.9100
207 8GF 0.9096
208 CSS 0.9091
209 ZBT 0.9091
210 NBE 0.9090
211 CIG 0.9090
212 THE 0.9089
213 PYF 0.9086
214 NIO 0.9084
215 60P 0.9082
216 PZA 0.9081
217 4H2 0.9080
218 BP9 0.9079
219 IPH 0.9076
220 TZL 0.9076
221 ODV 0.9076
222 OXQ 0.9072
223 PE9 0.9072
224 GAG 0.9071
225 B3R 0.9070
226 FLA 0.9066
227 NAK 0.9060
228 LLQ 0.9060
229 MRZ 0.9059
230 XPO 0.9059
231 A8C 0.9054
232 NTN 0.9053
233 RB5 0.9052
234 XYL 0.9052
235 DAB 0.9051
236 XRG 0.9045
237 VGL 0.9044
238 2HA 0.9043
239 93B 0.9038
240 L60 0.9037
241 V1L 0.9037
242 CRN 0.9036
243 GLY ALA 0.9035
244 AML 0.9033
245 TFS 0.9030
246 MLT 0.9029
247 LDU 0.9029
248 P7I 0.9027
249 RSF 0.9027
250 1CB 0.9025
251 PAH 0.9021
252 XIX 0.9020
253 DEN 0.9020
254 AC5 0.9019
255 IDM 0.9019
256 SGL 0.9019
257 PPV 0.9019
258 PYM 0.9018
259 FQI 0.9018
260 H3M 0.9015
261 BAQ 0.9014
262 OPE 0.9012
263 QFH 0.9012
264 BTL 0.9011
265 VAH 0.9010
266 UNU 0.9009
267 3CL 0.9008
268 GG6 0.9002
269 ECE 0.9002
270 GXE 0.9001
271 PLQ 0.9000
272 14J 0.9000
273 HE2 0.8997
274 HHQ 0.8994
275 UGC 0.8990
276 BZI 0.8990
277 JZ9 0.8989
278 PGA 0.8987
279 GXV 0.8987
280 IND 0.8980
281 LZ1 0.8980
282 6SP 0.8976
283 9A7 0.8976
284 1PT 0.8975
285 MEU 0.8973
286 PYJ 0.8973
287 MBN 0.8970
288 AC0 0.8970
289 DA1 0.8970
290 TEO 0.8969
291 LMR 0.8968
292 A20 0.8964
293 UYA 0.8963
294 XLS 0.8961
295 MPI 0.8960
296 40O 0.8960
297 BZF 0.8959
298 2RH 0.8957
299 3ZQ 0.8957
300 PBC 0.8956
301 TF4 0.8955
302 4JP 0.8955
303 1AB 0.8954
304 ISU 0.8952
305 PIS 0.8951
306 ATQ 0.8950
307 23B 0.8950
308 PCR 0.8950
309 FPN 0.8950
310 HQE 0.8950
311 0R1 0.8950
312 HY3 0.8949
313 IT2 0.8948
314 EFS 0.8944
315 0CT 0.8940
316 POP 0.8939
317 GBL 0.8937
318 BML 0.8935
319 TAY 0.8934
320 3SS 0.8934
321 NVA 0.8932
322 EDG 0.8932
323 OK7 0.8932
324 IOM 0.8932
325 GVH 0.8930
326 B24 0.8929
327 NIS 0.8928
328 ASP 0.8924
329 4CH 0.8923
330 280 0.8923
331 TH0 0.8923
332 3AP 0.8920
333 4AP 0.8920
334 2AP 0.8920
335 PXY 0.8920
336 MWM 0.8917
337 HRZ 0.8915
338 ASN 0.8914
339 CRD 0.8914
340 HY1 0.8913
341 MMU 0.8910
342 MCT 0.8910
343 MB3 0.8910
344 COM 0.8908
345 PKU 0.8904
346 3GR 0.8903
347 OXE 0.8902
348 BNS 0.8902
349 SS1 0.8902
350 VX 0.8902
351 ITN 0.8900
352 WOT 0.8900
353 LG4 0.8900
354 IZC 0.8895
355 4ZE 0.8893
356 285 0.8891
357 8CL 0.8891
358 9PO 0.8888
359 BUO 0.8886
360 SS2 0.8882
361 ICC 0.8881
362 3ZS 0.8881
363 HVK 0.8880
364 25R 0.8880
365 275 0.8877
366 XUL 0.8876
367 4SD 0.8876
368 13D 0.8874
369 LEU 0.8872
370 DYA 0.8871
371 TZE 0.8870
372 URF 0.8870
373 HLT 0.8868
374 COI 0.8865
375 TMZ 0.8862
376 GLV 0.8860
377 M58 0.8860
378 7WG 0.8859
379 FAN 0.8856
380 R2B 0.8855
381 LGA 0.8853
382 GLY 0.8850
383 4HO 0.8850
384 TMT 0.8850
385 5JC 0.8850
386 XYS 0.8848
387 CIZ 0.8848
388 DTU 0.8844
389 PXO 0.8842
390 URP 0.8841
391 CAQ 0.8840
392 HT4 0.8840
393 XBZ 0.8840
394 5Y9 0.8836
395 2AC 0.8834
396 TDR 0.8830
397 CMS 0.8828
398 C2A 0.8827
399 4HS 0.8826
400 RSO 0.8824
401 9SB 0.8824
402 51F 0.8822
403 TTO 0.8821
404 AKR 0.8820
405 2K4 0.8820
406 2YU 0.8820
407 BEW 0.8820
408 2CH 0.8820
409 AHR 0.8820
410 EHM 0.8820
411 NXA 0.8820
412 ETF 0.8819
413 HYA 0.8818
414 XYP 0.8812
415 5MI 0.8810
416 F60 0.8810
417 5H1 0.8810
418 2CO 0.8810
419 2MP 0.8805
420 FAH 0.8803
421 34A 0.8803
422 9A4 0.8802
423 FPY 0.8800
424 6AI 0.8800
425 14O 0.8800
426 5MB 0.8800
427 TM7 0.8800
428 PYD 0.8798
429 ICP 0.8798
430 XYD 0.8797
431 WBU 0.8794
432 ORN 0.8794
433 F3V 0.8793
434 3Q7 0.8792
435 TAR 0.8789
436 FEH 0.8788
437 YHO 0.8782
438 JZ0 0.8781
439 DAS 0.8781
440 1MC 0.8780
441 4CL 0.8780
442 5MH 0.8780
443 BZX 0.8780
444 HHN 0.8780
445 3MT 0.8780
446 2PN 0.8780
447 PAF 0.8778
448 43M 0.8778
449 YAN 0.8775
450 ICN 0.8775
451 4VP 0.8774
452 D2P 0.8773
453 2DR 0.8772
454 5UC 0.8771
455 4JN 0.8770
456 93Q 0.8769
457 SRT 0.8768
458 HBA 0.8767
459 CFI 0.8766
460 NIE 0.8763
461 FP2 0.8762
462 6M4 0.8761
463 ES9 0.8760
464 NIZ 0.8760
465 4JJ 0.8760
466 1AN 0.8757
467 2AF 0.8757
468 MET 0.8757
469 278 0.8755
470 MMZ 0.8755
471 JYD 0.8755
472 4MZ 0.8755
473 JZ2 0.8754
474 L89 0.8753
475 HTS 0.8752
476 938 0.8750
477 BHO 0.8746
478 R1X 0.8745
479 ISZ 0.8745
480 AMT 0.8743
481 76X 0.8742
482 GOA 0.8742
483 FMS 0.8741
484 11S 0.8740
485 PIH 0.8735
486 1DV 0.8735
487 HGW 0.8733
488 TLD 0.8731
489 H4N 0.8730
490 2MZ 0.8730
491 1MZ 0.8730
492 IMR 0.8729
493 HSL 0.8728
494 IUR 0.8724
495 1DJ 0.8724
496 4DX 0.8723
497 L3Q 0.8721
498 27Y 0.8720
499 MWJ 0.8720
500 6X8 0.8720
501 5MP 0.8719
502 92Z 0.8717
503 TLA 0.8717
504 8LG 0.8716
505 NPO 0.8716
506 2AI 0.8715
507 NMU 0.8713
508 40E 0.8712
509 MNN 0.8712
510 FK1 0.8710
511 HVB 0.8710
512 MR3 0.8706
513 47J 0.8705
514 HOW 0.8702
515 BR9 0.8700
516 JZ6 0.8696
517 F05 0.8694
518 JZ1 0.8694
519 PEL 0.8693
520 0RW 0.8691
521 XM0 0.8689
522 R3W 0.8685
523 9TY 0.8685
524 DQY 0.8684
525 FBA 0.8684
526 GLL 0.8684
527 MZY 0.8683
528 IOL 0.8683
529 6M9 0.8680
530 8NY 0.8680
531 PEA 0.8679
532 98J 0.8676
533 JAE 0.8675
534 3TR 0.8674
535 F9P 0.8671
536 0R0 0.8670
537 JZ3 0.8670
538 PYG 0.8670
539 1DW 0.8670
540 3MC 0.8661
541 LXC 0.8661
542 7CZ 0.8661
543 4XX 0.8661
544 0TR 0.8660
545 KSW 0.8660
546 1XX 0.8658
547 FBM 0.8658
548 4JO 0.8654
549 271 0.8653
550 ABV 0.8650
551 PHB 0.8650
552 4CS 0.8649
553 F50 0.8647
554 5KX 0.8643
555 KOJ 0.8641
556 SPA 0.8640
557 9EW 0.8640
558 4JM 0.8626
559 RIP 0.8626
560 DTI 0.8617
561 GLY GLY 0.8617
562 270 0.8615
563 AX7 0.8615
564 2A1 0.8615
565 GOJ 0.8614
566 QUZ 0.8613
567 RUU 0.8613
568 O7U 0.8611
569 Z82 0.8610
570 BYZ 0.8608
571 SNE 0.8604
572 Y8I 0.8602
573 MBD 0.8600
574 GMN 0.8600
575 4AX 0.8593
576 61G 0.8593
577 2C9 0.8590
578 CEE 0.8587
579 2MI 0.8583
580 7N0 0.8581
581 ES3 0.8580
582 FLM 0.8580
583 2MY 0.8580
584 717 0.8578
585 SAL 0.8577
586 CXF 0.8574
587 P92 0.8570
588 3FA 0.8570
589 NPY 0.8567
590 PBE 0.8567
591 PYZ 0.8562
592 3MH 0.8560
593 3CE 0.8560
594 SVN 0.8560
595 13P 0.8560
596 MGX 0.8547
597 4JL 0.8545
598 2CQ 0.8541
599 3U4 0.8539
600 4ZC 0.8530
601 1P3 0.8520
602 BXA 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y7G; Ligand: AAE; 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: 2y7g.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Y7G; Ligand: AAE; 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: 2y7g.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Y7G; Ligand: AAE; 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: 2y7g.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2Y7G; Ligand: AAE; 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: 2y7g.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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