Receptor
PDB id Resolution Class Description Source Keywords
4DYO 2.2 Å EC: 3.4.11.21 CRYSTAL STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE (DNPEP) I WITH ASPARTIC ACID HYDROXAMATE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC HY
Ref.: STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE COMPLEXE SUBSTRATE ANALOGUE: INSIGHT INTO CATALYTIC MECHANIS SUBSTRATE SPECIFICITY AND M18 PEPTIDASE FAMILY. BMC STRUCT.BIOL. V. 12 14 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:505;
A:506;
A:507;
A:508;
A:509;
A:510;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:503;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
SD4 A:504;
Valid;
none;
submit data
148.117 C4 H8 N2 O4 C([C@...
ZN A:501;
A:502;
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
4DYO 2.2 Å EC: 3.4.11.21 CRYSTAL STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE (DNPEP) I WITH ASPARTIC ACID HYDROXAMATE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC HY
Ref.: STRUCTURE OF HUMAN ASPARTYL AMINOPEPTIDASE COMPLEXE SUBSTRATE ANALOGUE: INSIGHT INTO CATALYTIC MECHANIS SUBSTRATE SPECIFICITY AND M18 PEPTIDASE FAMILY. BMC STRUCT.BIOL. V. 12 14 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DYO - SD4 C4 H8 N2 O4 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DYO - SD4 C4 H8 N2 O4 C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DYO - SD4 C4 H8 N2 O4 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SD4; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 SD4 1 1
2 HGA 0.5 0.871795
3 DAS 0.5 0.648649
4 ASN 0.5 0.756757
5 ASP 0.5 0.648649
Similar Ligands (3D)
Ligand no: 1; Ligand: SD4; Similar ligands found: 731
No: Ligand Similarity coefficient
1 AL0 0.9733
2 OAA 0.9687
3 HL5 0.9668
4 LMR 0.9561
5 ORN 0.9543
6 GLU 0.9531
7 HIS 0.9493
8 URQ 0.9475
9 AKG 0.9465
10 MLT 0.9465
11 FUM 0.9464
12 ISZ 0.9446
13 LEU 0.9443
14 NIZ 0.9430
15 DYA 0.9426
16 OTR 0.9426
17 OGA 0.9417
18 NLE 0.9394
19 I1E 0.9383
20 F9P 0.9381
21 FBM 0.9378
22 GLN 0.9377
23 TZL 0.9371
24 GLY ALA 0.9369
25 BHO 0.9366
26 SIN 0.9358
27 OKG 0.9354
28 HHI 0.9347
29 CFI 0.9347
30 1DJ 0.9345
31 NCA 0.9338
32 NIO 0.9327
33 SYM 0.9323
34 4NC 0.9319
35 LYS 0.9313
36 PZA 0.9312
37 BAM 0.9302
38 MNN 0.9298
39 MUC 0.9294
40 GUA 0.9292
41 BEZ 0.9289
42 NBZ 0.9288
43 3SL 0.9286
44 ALA ALA 0.9285
45 SRT 0.9281
46 BEN 0.9280
47 TLA 0.9279
48 SPV 0.9278
49 40E 0.9275
50 6PC 0.9275
51 XRG 0.9272
52 PBC 0.9271
53 GGL 0.9266
54 RNT 0.9264
55 MET 0.9264
56 PGH 0.9263
57 YCP 0.9262
58 KMT 0.9262
59 HYA 0.9259
60 HSO 0.9255
61 2CO 0.9253
62 UNU 0.9253
63 TAR 0.9251
64 FBJ 0.9249
65 XYL 0.9240
66 MXN 0.9240
67 DGN 0.9238
68 TEO 0.9237
69 SOL 0.9236
70 TPA 0.9234
71 J9T 0.9232
72 2AS 0.9232
73 MAE 0.9232
74 2HG 0.9231
75 FEH 0.9231
76 PEP 0.9229
77 PEA 0.9229
78 069 0.9222
79 5FX 0.9221
80 SHI 0.9220
81 2RH 0.9219
82 GJZ 0.9216
83 EHM 0.9214
84 6JN 0.9210
85 5XB 0.9207
86 M58 0.9206
87 XBT 0.9206
88 DYT 0.9204
89 DGL 0.9203
90 7C3 0.9201
91 3NT 0.9199
92 PCA 0.9198
93 RBL 0.9192
94 ONH 0.9191
95 PAH 0.9189
96 ASC 0.9185
97 MSE 0.9184
98 ZBT 0.9184
99 MRZ 0.9182
100 K6V 0.9181
101 S2P 0.9181
102 QSC 0.9177
103 MEQ 0.9169
104 PEL 0.9168
105 5XA 0.9167
106 TIH 0.9167
107 DHI 0.9165
108 DAL DAL 0.9164
109 XLS 0.9163
110 7N0 0.9163
111 SAL 0.9161
112 G3P 0.9157
113 PGA 0.9157
114 PAC 0.9156
115 URP 0.9156
116 4MV 0.9155
117 3LR 0.9154
118 3OM 0.9154
119 GLO 0.9153
120 PMB 0.9153
121 2IT 0.9152
122 QY9 0.9150
123 SOR 0.9149
124 GAB 0.9149
125 3YP 0.9147
126 XM0 0.9146
127 KMH 0.9146
128 EOU 0.9142
129 EDR 0.9140
130 PSE 0.9139
131 HHH 0.9138
132 FB2 0.9136
133 BE2 0.9134
134 PEQ 0.9133
135 DQY 0.9133
136 4CS 0.9132
137 FAN 0.9131
138 ROR 0.9131
139 PIM 0.9128
140 B40 0.9127
141 GP9 0.9125
142 PPY 0.9123
143 RAT 0.9122
144 RJY 0.9122
145 SHV 0.9122
146 HIO 0.9120
147 1SA 0.9119
148 PRO 0.9119
149 9ON 0.9118
150 PHE 0.9117
151 NCT 0.9117
152 R67 0.9116
153 53C 0.9115
154 LNO 0.9114
155 M6W 0.9114
156 PHU 0.9113
157 SHF 0.9112
158 0VT 0.9112
159 XX2 0.9109
160 LFC 0.9108
161 3PG 0.9107
162 0V5 0.9105
163 DAV 0.9104
164 CXF 0.9103
165 3HB 0.9099
166 3OC 0.9099
167 5NI 0.9099
168 LTL 0.9098
169 LDP 0.9098
170 KDG 0.9096
171 LNR 0.9096
172 BNF 0.9095
173 SYC 0.9095
174 OOG 0.9095
175 9J3 0.9094
176 TZE 0.9094
177 RNS 0.9092
178 SMN 0.9088
179 BZX 0.9087
180 13P 0.9087
181 K6H 0.9086
182 OEG 0.9086
183 JYD 0.9085
184 G3H 0.9085
185 MED 0.9084
186 DE5 0.9084
187 3BU 0.9083
188 AG2 0.9083
189 RMN 0.9082
190 NFA 0.9081
191 K34 0.9080
192 P9P 0.9080
193 NPO 0.9079
194 M3H 0.9078
195 PHB 0.9077
196 AHB 0.9073
197 7MU 0.9071
198 98J 0.9070
199 PBZ 0.9070
200 PDC 0.9068
201 HFA 0.9068
202 SHA 0.9068
203 S2G 0.9066
204 LPK 0.9066
205 8OZ 0.9065
206 1GP 0.9065
207 268 0.9065
208 2FT 0.9065
209 PO6 0.9065
210 RBJ 0.9061
211 ACH 0.9061
212 FQI 0.9061
213 OK7 0.9061
214 AEF 0.9058
215 GLY GLY 0.9055
216 GOJ 0.9052
217 PAB 0.9052
218 ICF 0.9051
219 B85 0.9050
220 ONL 0.9050
221 IT2 0.9048
222 1P3 0.9045
223 9RW 0.9044
224 SHO 0.9042
225 173 0.9041
226 NXA 0.9041
227 GZ3 0.9039
228 URO 0.9039
229 MTL 0.9039
230 QDK 0.9038
231 HY1 0.9037
232 PAF 0.9037
233 6NA 0.9036
234 FCR 0.9035
235 AOT 0.9035
236 B3U 0.9035
237 NF3 0.9034
238 H95 0.9033
239 5RG 0.9033
240 E5X 0.9030
241 PKU 0.9029
242 4MA 0.9029
243 5M0 0.9029
244 9TW 0.9027
245 HCS 0.9026
246 3HG 0.9026
247 INO 0.9024
248 OVV 0.9024
249 3U4 0.9024
250 54D 0.9023
251 P72 0.9022
252 CEE 0.9022
253 GRO 0.9021
254 8EW 0.9021
255 PZI 0.9021
256 129 0.9020
257 52C 0.9020
258 DIR 0.9019
259 2HO 0.9018
260 SKJ 0.9016
261 RB5 0.9016
262 RB0 0.9016
263 DHB 0.9014
264 COI 0.9014
265 Q9Z 0.9012
266 SS1 0.9009
267 DLY 0.9008
268 THE 0.9008
269 9X6 0.9007
270 I3A 0.9006
271 VKC 0.9005
272 6M4 0.9005
273 9YL 0.9002
274 IXW 0.9000
275 XUL 0.9000
276 TAG 0.9000
277 S8V 0.8999
278 HZP 0.8997
279 FOC 0.8995
280 CXP 0.8995
281 GTQ 0.8994
282 152 0.8994
283 DZA 0.8993
284 BNS 0.8993
285 YRL 0.8993
286 14J 0.8992
287 1Y6 0.8991
288 ITN 0.8991
289 PPR 0.8990
290 SAN 0.8988
291 J0Z 0.8987
292 RSO 0.8987
293 HSM 0.8986
294 5OB 0.8986
295 SEP 0.8985
296 258 0.8983
297 9SE 0.8982
298 R2P 0.8982
299 PSJ 0.8980
300 PNZ 0.8980
301 HTX 0.8979
302 VNJ 0.8978
303 Z82 0.8976
304 7UC 0.8975
305 HSE 0.8975
306 J9N 0.8974
307 HX4 0.8972
308 AC6 0.8972
309 41K 0.8972
310 9X7 0.8972
311 UGC 0.8972
312 A09 0.8970
313 4FA 0.8969
314 49F 0.8965
315 7WG 0.8965
316 HC4 0.8965
317 1F1 0.8964
318 7A8 0.8963
319 CSS 0.8963
320 FK8 0.8963
321 54G 0.8962
322 HPV 0.8960
323 K7M 0.8960
324 7BC 0.8960
325 IHG 0.8960
326 JKE 0.8960
327 ANN 0.8959
328 2PG 0.8957
329 4WL 0.8957
330 TIU 0.8956
331 A29 0.8956
332 HDH 0.8955
333 SME 0.8952
334 PIY 0.8951
335 3AL 0.8951
336 2AL 0.8951
337 BZ3 0.8951
338 HBD 0.8950
339 BCU 0.8948
340 264 0.8948
341 LYN 0.8948
342 4LV 0.8947
343 717 0.8945
344 I38 0.8945
345 ILE 0.8944
346 FA0 0.8944
347 MYJ 0.8942
348 WCE 0.8942
349 FA1 0.8941
350 FUD 0.8941
351 4P5 0.8939
352 HJH 0.8938
353 IHB 0.8937
354 271 0.8937
355 CRN 0.8937
356 650 0.8937
357 HX2 0.8935
358 5NU 0.8934
359 ACA 0.8932
360 PG0 0.8930
361 93K 0.8929
362 GCO 0.8925
363 97T 0.8925
364 DHS 0.8923
365 AC0 0.8923
366 XYH 0.8921
367 HPS 0.8921
368 1L5 0.8920
369 IWT 0.8919
370 4ZA 0.8919
371 CHB 0.8918
372 EUG 0.8918
373 MPJ 0.8918
374 X1S 0.8916
375 JF6 0.8915
376 DTL 0.8915
377 1DV 0.8914
378 GVG 0.8911
379 1H1 0.8910
380 AHN 0.8910
381 0OC 0.8910
382 PRA 0.8910
383 BP9 0.8909
384 TSU 0.8907
385 9TZ 0.8903
386 BSX 0.8902
387 QUS 0.8901
388 4LW 0.8900
389 KOJ 0.8899
390 7OD 0.8897
391 X0V 0.8897
392 N6C 0.8896
393 AMH 0.8895
394 MAH 0.8895
395 N2Z 0.8891
396 QMP 0.8891
397 MSR 0.8890
398 XSP 0.8890
399 6M9 0.8888
400 0A9 0.8888
401 NYL 0.8888
402 CCE 0.8888
403 3AB 0.8885
404 TH7 0.8883
405 HDA 0.8881
406 DPN 0.8881
407 OW4 0.8880
408 4J8 0.8880
409 BNL 0.8880
410 AHR 0.8879
411 51R 0.8879
412 JLZ 0.8879
413 16D 0.8878
414 GLY CYS 0.8878
415 HG3 0.8877
416 HQJ 0.8876
417 6NI 0.8875
418 1DW 0.8874
419 SS2 0.8873
420 4SD 0.8869
421 GYE 0.8869
422 1WC 0.8868
423 R9M 0.8868
424 OVM 0.8867
425 4JT 0.8867
426 QSB 0.8866
427 3MB 0.8865
428 KJU 0.8865
429 J9Q 0.8861
430 OEM 0.8859
431 3A9 0.8858
432 IOM 0.8858
433 MR1 0.8858
434 3NY 0.8856
435 92K 0.8856
436 6TZ 0.8855
437 HL4 0.8855
438 8GL 0.8855
439 DOB 0.8855
440 6NT 0.8854
441 4VY 0.8853
442 BHH 0.8853
443 XCZ 0.8853
444 5CU 0.8853
445 FP1 0.8851
446 CUW 0.8851
447 DHM 0.8850
448 OSE 0.8850
449 5WZ 0.8850
450 HBA 0.8850
451 NVA 0.8849
452 TYL 0.8849
453 1A7 0.8848
454 MEV 0.8847
455 AFS 0.8846
456 DAB 0.8846
457 8G0 0.8845
458 NTN 0.8844
459 45L 0.8842
460 RUY 0.8841
461 0HN 0.8841
462 AT3 0.8841
463 JZ7 0.8840
464 3BZ 0.8840
465 LER 0.8839
466 NLP 0.8839
467 UN1 0.8839
468 7WV 0.8837
469 IZC 0.8836
470 I4B 0.8836
471 1SH 0.8836
472 Q02 0.8836
473 0HO 0.8835
474 2F6 0.8834
475 1M2 0.8832
476 HCI 0.8832
477 XIZ 0.8832
478 8WO 0.8831
479 CMS 0.8830
480 1BN 0.8830
481 5MK 0.8828
482 FBS 0.8828
483 CCU 0.8826
484 ET2 0.8825
485 IFP 0.8825
486 TYE 0.8825
487 3QM 0.8824
488 MLE 0.8821
489 4SX 0.8820
490 A3M 0.8818
491 PBA 0.8818
492 PD2 0.8817
493 4NM 0.8817
494 NM3 0.8816
495 VGL 0.8816
496 3S5 0.8814
497 HNL 0.8813
498 PH3 0.8812
499 5XC 0.8812
500 2ZM 0.8812
501 LLH 0.8811
502 261 0.8811
503 APG 0.8810
504 GVM 0.8810
505 ODO 0.8810
506 ABU 0.8809
507 B3M 0.8808
508 VAH 0.8808
509 SN4 0.8806
510 MHO 0.8806
511 KVP 0.8806
512 NMG 0.8804
513 CHH 0.8803
514 PMF 0.8802
515 7VP 0.8802
516 IP8 0.8802
517 YZM 0.8801
518 JDN 0.8800
519 XIY 0.8800
520 NM2 0.8799
521 CPZ 0.8798
522 DA4 0.8798
523 IPB 0.8796
524 GPF 0.8795
525 BHA 0.8795
526 3HP 0.8794
527 SC2 0.8794
528 FBW 0.8794
529 RUJ 0.8791
530 3R6 0.8791
531 JAW 0.8791
532 JB8 0.8790
533 4HM 0.8789
534 KPL 0.8788
535 BPN 0.8788
536 JRB 0.8786
537 M4T 0.8786
538 XDE 0.8786
539 ALE 0.8786
540 4LR 0.8785
541 5GU 0.8784
542 4M0 0.8784
543 23J 0.8784
544 M45 0.8784
545 DMD 0.8780
546 DEE 0.8777
547 LEA 0.8776
548 HMH 0.8775
549 SW7 0.8775
550 GWM 0.8773
551 ES2 0.8770
552 4VP 0.8768
553 1P8 0.8766
554 CCD 0.8766
555 0L1 0.8765
556 URS 0.8764
557 449 0.8763
558 OVP 0.8761
559 4V2 0.8759
560 R20 0.8759
561 GPJ 0.8758
562 HYP 0.8758
563 BZ2 0.8757
564 M74 0.8755
565 MRY 0.8755
566 56D 0.8754
567 9YT 0.8754
568 2BG 0.8753
569 2BX 0.8752
570 LLQ 0.8752
571 PLU 0.8751
572 MZT 0.8751
573 FOM 0.8750
574 R9S 0.8750
575 3SK 0.8748
576 BDP 0.8748
577 TZF 0.8747
578 69O 0.8746
579 PG3 0.8742
580 H42 0.8742
581 HX3 0.8742
582 YPN 0.8741
583 SSB 0.8740
584 DHR 0.8739
585 EKZ 0.8736
586 2EH 0.8735
587 8SZ 0.8735
588 AMQ 0.8733
589 LUQ 0.8732
590 DPF 0.8731
591 SNU 0.8730
592 GLR 0.8728
593 8GC 0.8727
594 C21 0.8725
595 BRT 0.8723
596 UY7 0.8722
597 LT1 0.8721
598 826 0.8720
599 5MI 0.8719
600 14O 0.8719
601 P58 0.8719
602 N4B 0.8718
603 CLW 0.8718
604 L5V 0.8718
605 2FY 0.8718
606 5HN 0.8717
607 G2H 0.8717
608 MPV 0.8716
609 AAS 0.8714
610 273 0.8714
611 ICO 0.8714
612 2K4 0.8713
613 5H1 0.8713
614 7HQ 0.8711
615 ABI 0.8710
616 PC 0.8708
617 MZW 0.8706
618 4FH 0.8706
619 AEG 0.8706
620 4AA 0.8705
621 CWJ 0.8704
622 6FZ 0.8704
623 2HU 0.8701
624 AMS 0.8701
625 F9Y 0.8700
626 11S 0.8700
627 FBB 0.8699
628 N3W 0.8699
629 SMV 0.8698
630 3HM 0.8696
631 NNO 0.8696
632 COU 0.8696
633 JFJ 0.8695
634 F60 0.8695
635 5RN 0.8695
636 I3E 0.8693
637 FHB 0.8692
638 174 0.8690
639 F4E 0.8690
640 JAE 0.8689
641 36R 0.8689
642 3PP 0.8688
643 PZM 0.8686
644 FOA 0.8686
645 6AI 0.8682
646 6LW 0.8682
647 VGD 0.8682
648 5MB 0.8679
649 DBX 0.8677
650 MS9 0.8676
651 KTA 0.8674
652 AE3 0.8673
653 H4N 0.8672
654 FK1 0.8671
655 MAJ 0.8668
656 OCH 0.8668
657 TP5 0.8667
658 M4S 0.8667
659 ES9 0.8667
660 BRH 0.8666
661 SSN 0.8666
662 JZ5 0.8665
663 HMU 0.8664
664 259 0.8663
665 23W 0.8662
666 TCA 0.8659
667 TPO 0.8658
668 4A3 0.8658
669 4FS 0.8658
670 OPE 0.8657
671 46P 0.8652
672 2AQ 0.8651
673 XDK 0.8651
674 ES5 0.8650
675 CIT 0.8650
676 Q07 0.8648
677 03V 0.8645
678 K2T 0.8643
679 AZM 0.8643
680 KTJ 0.8642
681 C5A 0.8641
682 MES 0.8637
683 F31 0.8637
684 E4P 0.8636
685 S7A 0.8631
686 61M 0.8630
687 NDH 0.8628
688 A5E 0.8628
689 CTL 0.8625
690 KVV 0.8625
691 DIG 0.8625
692 SPA 0.8620
693 OW7 0.8620
694 ABV 0.8618
695 DCL 0.8618
696 ASO 0.8617
697 92G 0.8617
698 9RH 0.8617
699 MPH 0.8617
700 8ZE 0.8614
701 E7Z 0.8608
702 TT4 0.8607
703 EYK 0.8605
704 KBB 0.8604
705 36E 0.8604
706 4NB 0.8604
707 AVI 0.8603
708 VXX 0.8600
709 DTU 0.8599
710 Q03 0.8598
711 J6W 0.8598
712 JB5 0.8597
713 4M4 0.8596
714 0F9 0.8596
715 SX1 0.8584
716 5VM 0.8579
717 N2I 0.8574
718 AX7 0.8570
719 36Y 0.8566
720 BUB 0.8566
721 15N 0.8557
722 OHG 0.8553
723 DNF 0.8550
724 L14 0.8549
725 BE7 0.8546
726 24B 0.8545
727 HNH 0.8536
728 XXP 0.8531
729 NSD 0.8526
730 8K2 0.8518
731 MPD 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DYO; Ligand: SD4; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4dyo.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1Y0Y L2O VAL VAL ASP 13.0312
Pocket No.: 2; Query (leader) PDB : 4DYO; Ligand: SD4; 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: 4dyo.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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