Receptor
PDB id Resolution Class Description Source Keywords
2Y7F 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE 3-KETO-5-AMINOHEXANOATE CLEAVAGE EN (KCE) 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
KMH A:1276;
B:1276;
C:1276;
D:1276;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
145.156 C6 H11 N O3 C[C@@...
MG D:1277;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
ZN A:301;
B:301;
C:301;
D:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
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: KMH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KMH 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: KMH; Similar ligands found: 717
No: Ligand Similarity coefficient
1 3HG 0.9754
2 TIU 0.9735
3 6JN 0.9581
4 AKG 0.9548
5 LMR 0.9530
6 98J 0.9523
7 GUA 0.9501
8 8EW 0.9487
9 OGA 0.9486
10 7UC 0.9485
11 ASN 0.9454
12 0VT 0.9454
13 URP 0.9443
14 ASP 0.9441
15 152 0.9438
16 5XB 0.9425
17 GLN 0.9424
18 LEU 0.9414
19 PLU 0.9408
20 OEG 0.9406
21 DGL 0.9405
22 B3M 0.9405
23 DII 0.9405
24 GLU 0.9393
25 HBU 0.9392
26 IXW 0.9389
27 URO 0.9376
28 IP8 0.9363
29 NLE 0.9354
30 AL0 0.9340
31 MAH 0.9339
32 GVM 0.9337
33 KQY 0.9336
34 7BC 0.9334
35 OAA 0.9329
36 MLT 0.9326
37 COI 0.9287
38 3PG 0.9286
39 PGH 0.9283
40 TEO 0.9279
41 FOC 0.9279
42 SHV 0.9266
43 GGL 0.9265
44 PO6 0.9262
45 9X6 0.9261
46 LNO 0.9253
47 PGA 0.9250
48 650 0.9249
49 ONH 0.9246
50 13P 0.9242
51 AG2 0.9241
52 4WL 0.9235
53 FK8 0.9229
54 3YP 0.9221
55 MEV 0.9218
56 7C3 0.9217
57 BHU 0.9214
58 ONL 0.9214
59 URQ 0.9214
60 DHI 0.9211
61 129 0.9206
62 KVP 0.9204
63 4HP 0.9200
64 S2G 0.9196
65 XUL 0.9195
66 AT3 0.9194
67 HIS 0.9191
68 TLA 0.9190
69 RUJ 0.9190
70 DGN 0.9190
71 MUC 0.9189
72 FUM 0.9185
73 4P5 0.9182
74 GLY GLY 0.9181
75 9J3 0.9181
76 DZA 0.9180
77 41K 0.9179
78 PEP 0.9177
79 CHH 0.9175
80 QY9 0.9175
81 Q9Z 0.9175
82 RAT 0.9174
83 SIN 0.9173
84 G3H 0.9173
85 2HG 0.9170
86 0L1 0.9170
87 SOR 0.9170
88 ACA 0.9169
89 GOJ 0.9169
90 SME 0.9168
91 KTA 0.9168
92 CXP 0.9166
93 SEP 0.9166
94 PPR 0.9164
95 3S5 0.9163
96 449 0.9162
97 2IT 0.9162
98 HGA 0.9159
99 4ZA 0.9159
100 9ON 0.9158
101 3PP 0.9153
102 DHS 0.9148
103 1SA 0.9147
104 M44 0.9147
105 K6V 0.9147
106 SD4 0.9146
107 PAC 0.9145
108 PMF 0.9142
109 HCI 0.9139
110 DYA 0.9139
111 FUD 0.9138
112 LYS 0.9137
113 CCD 0.9137
114 0V5 0.9136
115 NM3 0.9136
116 TIH 0.9136
117 OOG 0.9134
118 ANN 0.9132
119 SN4 0.9132
120 DYT 0.9132
121 SOL 0.9132
122 LFC 0.9131
123 5FX 0.9131
124 2FT 0.9131
125 F4E 0.9128
126 GPF 0.9125
127 1L5 0.9124
128 GPJ 0.9124
129 PC 0.9122
130 2RH 0.9120
131 X1S 0.9120
132 ORN 0.9119
133 OCA 0.9119
134 G3P 0.9117
135 JYD 0.9117
136 4LR 0.9113
137 3HP 0.9113
138 SKJ 0.9111
139 MTL 0.9111
140 EHM 0.9109
141 QMP 0.9107
142 CMS 0.9105
143 HPN 0.9105
144 CCE 0.9105
145 HSO 0.9104
146 BNF 0.9104
147 AHN 0.9103
148 IOM 0.9101
149 SPA 0.9101
150 PG0 0.9100
151 49F 0.9100
152 B3U 0.9097
153 TPO 0.9095
154 DAV 0.9095
155 S8V 0.9094
156 N6C 0.9094
157 EOU 0.9093
158 SHO 0.9093
159 RNS 0.9090
160 J9N 0.9088
161 AHB 0.9088
162 6NA 0.9087
163 6FZ 0.9086
164 TAR 0.9086
165 YZM 0.9083
166 AMH 0.9079
167 DAL DAL 0.9078
168 R20 0.9078
169 1GP 0.9077
170 HSE 0.9075
171 MHN 0.9074
172 XIZ 0.9074
173 GZ3 0.9067
174 PHB 0.9067
175 PNZ 0.9067
176 4MV 0.9066
177 PEQ 0.9064
178 HHI 0.9062
179 DE5 0.9062
180 HIO 0.9061
181 HQJ 0.9061
182 MZT 0.9060
183 HDA 0.9059
184 GP9 0.9055
185 5NI 0.9054
186 HL5 0.9054
187 LTL 0.9051
188 PSJ 0.9051
189 L14 0.9050
190 RNT 0.9048
191 MET 0.9047
192 PAB 0.9047
193 BZ2 0.9045
194 SRT 0.9045
195 PAH 0.9043
196 ESP 0.9042
197 6NI 0.9042
198 PG3 0.9041
199 1AL 0.9040
200 RTK 0.9039
201 2HU 0.9038
202 OSE 0.9037
203 XLS 0.9036
204 3A9 0.9034
205 GLL 0.9034
206 DAR 0.9034
207 PCA 0.9033
208 SYC 0.9032
209 1F1 0.9031
210 DLY 0.9031
211 7WG 0.9030
212 HTX 0.9029
213 ICF 0.9028
214 OHP 0.9026
215 TYL 0.9025
216 FA0 0.9024
217 7N0 0.9024
218 LUQ 0.9022
219 LPK 0.9022
220 4NM 0.9022
221 OKG 0.9021
222 UGC 0.9021
223 GJZ 0.9020
224 0HO 0.9019
225 FIX 0.9019
226 RBL 0.9018
227 5XA 0.9018
228 JDN 0.9018
229 0HN 0.9018
230 DQY 0.9017
231 5HY 0.9017
232 IZC 0.9016
233 6NT 0.9015
234 2BX 0.9015
235 KMT 0.9014
236 K34 0.9014
237 VKC 0.9013
238 BHH 0.9012
239 TPA 0.9011
240 DHY 0.9009
241 CRN 0.9008
242 XYL 0.9008
243 4NB 0.9008
244 ABI 0.9006
245 CCU 0.9006
246 SPV 0.9006
247 1X4 0.9005
248 3OC 0.9004
249 ROR 0.9002
250 ENV 0.9001
251 NPO 0.9001
252 SHF 0.9000
253 JAW 0.8999
254 1CO 0.8998
255 DIR 0.8997
256 5XC 0.8997
257 QDK 0.8997
258 LNR 0.8996
259 ALA ALA 0.8996
260 TAG 0.8994
261 2ZM 0.8994
262 8GL 0.8991
263 DAS 0.8990
264 GLO 0.8989
265 4M0 0.8987
266 HIC 0.8985
267 3SL 0.8983
268 I38 0.8983
269 R9S 0.8980
270 ESX 0.8979
271 PBZ 0.8978
272 TCA 0.8976
273 MEQ 0.8972
274 HPV 0.8972
275 SMN 0.8971
276 FQI 0.8971
277 CUW 0.8970
278 S7A 0.8968
279 XYH 0.8964
280 3NY 0.8964
281 9SE 0.8963
282 CFI 0.8963
283 J0Z 0.8962
284 PHU 0.8961
285 2AS 0.8960
286 SYM 0.8960
287 DXG 0.8959
288 OTR 0.8957
289 TSU 0.8957
290 NCD 0.8957
291 PDC 0.8954
292 4SD 0.8954
293 PKU 0.8954
294 SAN 0.8953
295 PPY 0.8949
296 2CO 0.8946
297 RNO 0.8946
298 DEW 0.8946
299 3LR 0.8945
300 XRG 0.8945
301 NYL 0.8944
302 NVA 0.8943
303 L5V 0.8942
304 SNO 0.8942
305 SDD 0.8941
306 HYA 0.8941
307 263 0.8940
308 P72 0.8940
309 DHR 0.8940
310 NSD 0.8939
311 ZBT 0.8938
312 TZL 0.8938
313 9X7 0.8937
314 A3M 0.8937
315 4BZ 0.8937
316 ACH 0.8936
317 4TB 0.8936
318 7VP 0.8934
319 GCO 0.8933
320 R9M 0.8933
321 MED 0.8933
322 16D 0.8933
323 HDH 0.8932
324 HPS 0.8932
325 FOM 0.8931
326 268 0.8929
327 DHM 0.8928
328 PIM 0.8927
329 2AL 0.8926
330 PIY 0.8925
331 I4B 0.8925
332 3NT 0.8924
333 HX2 0.8924
334 OVV 0.8923
335 4J8 0.8923
336 IHG 0.8923
337 HX4 0.8922
338 HBD 0.8922
339 SSB 0.8921
340 7A8 0.8921
341 HCS 0.8921
342 E4P 0.8920
343 AOS 0.8919
344 B40 0.8918
345 CCB 0.8918
346 DPN 0.8918
347 CYX 0.8916
348 GRQ 0.8915
349 AC6 0.8914
350 HG3 0.8913
351 3C4 0.8913
352 DPF 0.8913
353 RSO 0.8912
354 0OC 0.8911
355 UN1 0.8911
356 M3H 0.8911
357 717 0.8910
358 DOB 0.8909
359 REL 0.8907
360 4PN 0.8905
361 AE3 0.8905
362 OMD 0.8904
363 RB5 0.8903
364 FCR 0.8903
365 TRC 0.8902
366 4MA 0.8900
367 SSC 0.8900
368 BZ3 0.8899
369 M6H 0.8896
370 OK7 0.8895
371 GLR 0.8895
372 IWT 0.8894
373 DXP 0.8894
374 JB8 0.8894
375 5CU 0.8894
376 3AB 0.8892
377 GAB 0.8890
378 M4S 0.8889
379 M4T 0.8888
380 FBJ 0.8886
381 GWM 0.8885
382 3MB 0.8885
383 MPV 0.8885
384 PBA 0.8884
385 OVM 0.8884
386 PD2 0.8884
387 HQ9 0.8883
388 B85 0.8882
389 3BU 0.8882
390 9GB 0.8882
391 N4B 0.8881
392 LQ2 0.8881
393 8OZ 0.8881
394 K6H 0.8880
395 M74 0.8880
396 INO 0.8879
397 CIT 0.8878
398 NF3 0.8876
399 O8Y 0.8875
400 5OB 0.8875
401 15N 0.8875
402 PHE 0.8874
403 E5X 0.8874
404 3HB 0.8873
405 ITN 0.8873
406 7MU 0.8871
407 ICB 0.8871
408 TYE 0.8870
409 AEG 0.8870
410 FAN 0.8869
411 HZP 0.8869
412 3QM 0.8869
413 HYP 0.8869
414 3OM 0.8869
415 3OL 0.8869
416 259 0.8868
417 069 0.8868
418 7OD 0.8868
419 8K2 0.8867
420 HSM 0.8867
421 URS 0.8866
422 1BN 0.8866
423 1Y6 0.8866
424 6TZ 0.8866
425 MSR 0.8865
426 NLP 0.8863
427 IHB 0.8859
428 HDL 0.8859
429 HFA 0.8859
430 I1E 0.8858
431 THE 0.8857
432 MHO 0.8857
433 MSE 0.8856
434 2HC 0.8855
435 PBN 0.8853
436 9RW 0.8852
437 8SZ 0.8850
438 258 0.8849
439 PEA 0.8848
440 4FA 0.8848
441 VAH 0.8848
442 M45 0.8847
443 PRA 0.8847
444 QSB 0.8847
445 SW7 0.8845
446 ISZ 0.8844
447 BHO 0.8844
448 FA1 0.8843
449 DHB 0.8840
450 826 0.8840
451 XBT 0.8839
452 R67 0.8838
453 NSB 0.8838
454 5GU 0.8837
455 11C 0.8837
456 NIZ 0.8835
457 FLC 0.8835
458 KDG 0.8834
459 MAJ 0.8832
460 40E 0.8832
461 ODO 0.8831
462 J9T 0.8831
463 FEH 0.8830
464 CS2 0.8830
465 BPN 0.8829
466 173 0.8829
467 1M2 0.8828
468 MES 0.8827
469 NFA 0.8826
470 OCT 0.8824
471 2HO 0.8824
472 53C 0.8823
473 NCT 0.8823
474 N9J 0.8823
475 A29 0.8823
476 H95 0.8823
477 YRL 0.8822
478 HY1 0.8821
479 F9P 0.8820
480 3AL 0.8819
481 P58 0.8819
482 MR1 0.8819
483 RB0 0.8818
484 HMS 0.8818
485 X0V 0.8817
486 4LW 0.8816
487 APG 0.8816
488 O45 0.8815
489 5WZ 0.8815
490 PZM 0.8815
491 56D 0.8814
492 4NC 0.8813
493 CXF 0.8813
494 XIY 0.8811
495 FBM 0.8810
496 OW4 0.8810
497 LT1 0.8809
498 FP1 0.8808
499 ES2 0.8807
500 Z82 0.8807
501 PSE 0.8806
502 SHI 0.8805
503 CHB 0.8803
504 1DV 0.8803
505 3BZ 0.8802
506 TZM 0.8800
507 AOT 0.8800
508 HPP 0.8800
509 K7M 0.8799
510 HBA 0.8799
511 YPN 0.8798
512 0BP 0.8798
513 9YT 0.8794
514 SNU 0.8794
515 RMN 0.8793
516 SAF 0.8791
517 I3E 0.8791
518 HC4 0.8790
519 14J 0.8790
520 2F6 0.8789
521 3PO 0.8788
522 5LA 0.8788
523 J9Q 0.8785
524 4V2 0.8784
525 M5E 0.8784
526 PEL 0.8784
527 PPT 0.8783
528 4SX 0.8782
529 174 0.8780
530 FHB 0.8780
531 CWJ 0.8778
532 P9P 0.8778
533 AEF 0.8778
534 KOJ 0.8777
535 4A3 0.8776
536 51R 0.8775
537 0JD 0.8773
538 KJU 0.8773
539 45L 0.8772
540 0CG 0.8771
541 94W 0.8771
542 A7N 0.8770
543 XCZ 0.8770
544 HHH 0.8769
545 8WO 0.8768
546 KPC 0.8768
547 2D8 0.8766
548 AMS 0.8765
549 BHA 0.8765
550 ICT 0.8764
551 9FL 0.8763
552 MYJ 0.8761
553 1P8 0.8760
554 EVF 0.8757
555 NM2 0.8757
556 TZF 0.8756
557 S2P 0.8756
558 HL4 0.8756
559 FHC 0.8754
560 CPZ 0.8753
561 93K 0.8752
562 LDP 0.8751
563 4CS 0.8751
564 IAC 0.8750
565 P22 0.8749
566 FBW 0.8749
567 Q07 0.8749
568 9TW 0.8748
569 BNL 0.8747
570 CEE 0.8746
571 PZI 0.8746
572 NTU 0.8746
573 0F9 0.8744
574 ICO 0.8744
575 NMG 0.8743
576 NNO 0.8743
577 PBC 0.8741
578 TSR 0.8741
579 2BG 0.8740
580 L22 0.8740
581 8G0 0.8738
582 271 0.8737
583 52C 0.8737
584 F9Y 0.8737
585 36E 0.8734
586 FBF 0.8734
587 2LP 0.8734
588 3MF 0.8734
589 PH3 0.8732
590 XDK 0.8732
591 PRO GLY 0.8731
592 97T 0.8731
593 BEN 0.8731
594 7MW 0.8730
595 WCE 0.8729
596 MVH 0.8729
597 54D 0.8728
598 GLY ALA 0.8727
599 9YL 0.8727
600 69O 0.8727
601 A5E 0.8723
602 YIV 0.8723
603 4VP 0.8722
604 DA4 0.8720
605 EN1 0.8719
606 LLQ 0.8717
607 4JC 0.8717
608 DPJ 0.8716
609 VGD 0.8713
610 492 0.8712
611 3HM 0.8711
612 LEA 0.8711
613 4FH 0.8710
614 1KA 0.8710
615 FBS 0.8708
616 BEZ 0.8708
617 GLY GLY GLY 0.8707
618 36Y 0.8706
619 TYR 0.8706
620 DTY 0.8706
621 ARG 0.8705
622 MD0 0.8705
623 MS9 0.8705
624 XX2 0.8704
625 ONR 0.8700
626 H42 0.8697
627 C1M 0.8695
628 DI6 0.8694
629 RLG 0.8693
630 HE2 0.8689
631 AN0 0.8689
632 BSX 0.8685
633 JZ7 0.8683
634 1DJ 0.8682
635 1P3 0.8679
636 N2I 0.8679
637 BHL 0.8678
638 VNL 0.8678
639 EKZ 0.8677
640 AES 0.8674
641 MNN 0.8674
642 SSN 0.8673
643 DER 0.8672
644 269 0.8671
645 MSL 0.8671
646 LLH 0.8670
647 AAS 0.8668
648 4JT 0.8667
649 PJW 0.8666
650 3PF 0.8665
651 BCU 0.8665
652 S7J 0.8663
653 HA5 0.8661
654 Q06 0.8658
655 NXA 0.8658
656 M6W 0.8657
657 ASC 0.8656
658 5NU 0.8649
659 F31 0.8649
660 264 0.8649
661 6PC 0.8648
662 TSS 0.8646
663 PCS 0.8646
664 L99 0.8644
665 3ZB 0.8642
666 HF2 0.8641
667 FW5 0.8639
668 GVG 0.8639
669 8GC 0.8633
670 6KT 0.8632
671 IFP 0.8631
672 NCA 0.8631
673 ILO 0.8631
674 9ZE 0.8630
675 OVP 0.8628
676 1VK 0.8624
677 R2P 0.8620
678 XM0 0.8620
679 GZL 0.8616
680 NFQ 0.8614
681 2FY 0.8613
682 BRT 0.8611
683 4BY 0.8611
684 MXN 0.8607
685 PPK 0.8606
686 9FE 0.8604
687 4JL 0.8604
688 EGV 0.8601
689 NIO 0.8597
690 428 0.8596
691 J6W 0.8593
692 UNJ 0.8592
693 DHC 0.8591
694 64Z 0.8590
695 OW7 0.8589
696 EUG 0.8588
697 6ZX 0.8587
698 ENO 0.8579
699 4HM 0.8572
700 5LD 0.8571
701 GO2 0.8565
702 0W1 0.8565
703 GGB 0.8562
704 YTX 0.8561
705 YCP 0.8559
706 C2A 0.8558
707 2O6 0.8558
708 ISD 0.8555
709 ESI 0.8551
710 M1Z 0.8549
711 15E 0.8549
712 AZM 0.8543
713 RM1 0.8539
714 ISA 0.8523
715 CFA 0.8521
716 266 0.8515
717 SHA 0.8512
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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