Receptor
PDB id Resolution Class Description Source Keywords
5NO9 1.75 Å NON-ENZYME: OTHER NLPPYA IN COMPLEX WITH MANNOSAMINE PYTHIUM APHANIDERMATUM ACTINOPORIN-LIKE PROTEINS NEP1-LIKE PROTEINS COMPLEX WITH TOXIN
Ref.: EUDICOT PLANT-SPECIFIC SPHINGOLIPIDS DETERMINE HOST SELECTIVITY OF MICROBIAL NLP CYTOLYSINS. SCIENCE V. 358 1431 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG C:301;
B:301;
A:301;
D:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
95Z D:302;
 Valid;
 none;
 submit data
179.171 C6 H13 N O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NNW 1.54 Å NON-ENZYME: OTHER NLPPYA IN COMPLEX WITH GLUCOSAMINE PYTHIUM APHANIDERMATUM ACTINOPORIN-LIKE PROTEINS NEP1-LIKE PROTEINS COMPLEX TOXI
Ref.: EUDICOT PLANT-SPECIFIC SPHINGOLIPIDS DETERMINE HOST SELECTIVITY OF MICROBIAL NLP CYTOLYSINS. SCIENCE V. 358 1431 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5NO9 - 95Z C6 H13 N O5 C([C@@H]1[....
2 5NNW - GCS C6 H13 N O5 C([C@@H]1[....
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 5NO9 - 95Z C6 H13 N O5 C([C@@H]1[....
2 5NNW - GCS C6 H13 N O5 C([C@@H]1[....
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 5NO9 - 95Z C6 H13 N O5 C([C@@H]1[....
2 5NNW - GCS C6 H13 N O5 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 95Z; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 PA1 1 1
2 GCS 1 1
3 1GN 1 1
4 X6X 1 1
5 95Z 1 1
6 GLP 0.488372 0.729167
7 4R1 0.488372 0.729167
8 BDR 0.483871 0.684211
9 AHR 0.483871 0.684211
10 FUB 0.483871 0.684211
11 RIB 0.483871 0.684211
12 Z6J 0.483871 0.684211
13 32O 0.483871 0.684211
14 GLA 0.457143 0.777778
15 GAL GAL 0.457143 0.777778
16 GIV 0.457143 0.777778
17 BGC 0.457143 0.777778
18 BGC GAL 0.457143 0.777778
19 GAL 0.457143 0.777778
20 GXL 0.457143 0.777778
21 ALL 0.457143 0.777778
22 WOO 0.457143 0.777778
23 GLC 0.457143 0.777778
24 MAN 0.457143 0.777778
25 GLC GLC 0.457143 0.777778
26 BMA 0.457143 0.777778
27 3LJ 0.454545 0.636364
28 GAF 0.421053 0.7
29 G2F 0.421053 0.7
30 SHG 0.421053 0.7
31 2FG 0.421053 0.7
32 2GS 0.4 0.7
33 GP1 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: 95Z; Similar ligands found: 692
No: Ligand Similarity coefficient
1 MMA 1.0000
2 DMJ 0.9729
3 IFL 0.9692
4 XXR 0.9645
5 GLF 0.9636
6 MNM 0.9608
7 2M5 0.9467
8 LKA 0.9461
9 GYP 0.9453
10 FRU 0.9450
11 RAM 0.9445
12 FUL 0.9437
13 MFU 0.9406
14 BDF 0.9397
15 TFU 0.9395
16 94B 0.9394
17 G4D 0.9378
18 IFM 0.9377
19 YIO 0.9367
20 AFR 0.9352
21 FHN 0.9333
22 2H5 0.9325
23 GLT 0.9321
24 ZWZ 0.9321
25 289 0.9318
26 I1N 0.9311
27 ZB1 0.9311
28 GCU 0.9310
29 G3F 0.9297
30 SEJ 0.9293
31 FH2 0.9291
32 948 0.9279
33 FDK 0.9270
34 DGJ 0.9265
35 INS 0.9252
36 64K 0.9244
37 XYP 0.9226
38 MBG 0.9214
39 NOJ 0.9213
40 FUC 0.9211
41 LGC 0.9208
42 AZF 0.9206
43 MFB 0.9205
44 MA3 0.9202
45 XYS 0.9196
46 3DO 0.9185
47 LSA 0.9185
48 4XR 0.9161
49 4PW 0.9157
50 OXZ 0.9150
51 AMG 0.9148
52 ASC 0.9145
53 KOJ 0.9141
54 DZX 0.9132
55 FYU 0.9131
56 AUD 0.9125
57 SXS 0.9123
58 IF7 0.9122
59 7D2 0.9116
60 ARB 0.9114
61 329 0.9114
62 DFU 0.9114
63 F81 0.9112
64 FUF 0.9110
65 8S0 0.9110
66 RIP 0.9109
67 3DM 0.9108
68 GCB 0.9106
69 KBG 0.9104
70 DBH 0.9103
71 B0D 0.9092
72 RNS 0.9087
73 BTE 0.9086
74 EVA 0.9085
75 MSN 0.9084
76 ADA 0.9084
77 SJ5 0.9082
78 BDP 0.9079
79 Q88 0.9075
80 LCN 0.9074
81 X09 0.9073
82 H62 0.9071
83 293 0.9068
84 SWA 0.9066
85 DFB 0.9064
86 TTL 0.9061
87 IJZ 0.9060
88 RPQ 0.9058
89 NOY 0.9056
90 GIF 0.9056
91 3HA 0.9056
92 URQ 0.9055
93 3F0 0.9048
94 DHB 0.9048
95 FCA 0.9048
96 4RW 0.9048
97 R8V 0.9047
98 ZZT 0.9045
99 VOH 0.9042
100 FSW 0.9042
101 1LQ 0.9041
102 CWM 0.9037
103 PYG 0.9033
104 ASO 0.9029
105 5WX 0.9028
106 HMU 0.9027
107 3WA 0.9026
108 URF 0.9025
109 RM4 0.9023
110 3M0 0.9020
111 3PF 0.9017
112 3RK 0.9012
113 ADE 0.9010
114 ARW 0.9007
115 GTQ 0.9003
116 ABE 0.9000
117 I3A 0.8999
118 HPA 0.8998
119 SOE 0.8996
120 FOT 0.8996
121 BZX 0.8996
122 24B 0.8996
123 JZ3 0.8995
124 MT5 0.8991
125 93K 0.8990
126 AGK 0.8990
127 KJY 0.8990
128 25W 0.8989
129 FA0 0.8986
130 WBU 0.8985
131 LXC 0.8983
132 FCB 0.8981
133 0MK 0.8980
134 6HQ 0.8980
135 4HM 0.8977
136 HMQ 0.8974
137 8H8 0.8973
138 ES0 0.8972
139 ARA 0.8972
140 5CU 0.8970
141 2EC 0.8968
142 P9P 0.8966
143 INO 0.8965
144 V55 0.8964
145 GZL 0.8963
146 E7Z 0.8962
147 3IT 0.8962
148 GXY 0.8961
149 149 0.8961
150 L3Q 0.8959
151 BE2 0.8959
152 SAL 0.8958
153 GRE 0.8957
154 5RG 0.8957
155 CTS 0.8955
156 9DG 0.8954
157 7B4 0.8953
158 G6D 0.8952
159 EMZ 0.8950
160 3XX 0.8949
161 XXP 0.8948
162 F0J 0.8945
163 0P6 0.8945
164 ISE 0.8943
165 B53 0.8943
166 1WG 0.8942
167 DHK 0.8942
168 SFU 0.8940
169 54G 0.8940
170 GCV 0.8939
171 PTO 0.8939
172 B57 0.8937
173 DOB 0.8936
174 HHA 0.8936
175 EUG 0.8934
176 4M4 0.8934
177 9TW 0.8933
178 5DI 0.8933
179 XAN 0.8932
180 LRH 0.8931
181 MYJ 0.8929
182 GUN 0.8928
183 MVL 0.8928
184 150 0.8928
185 5NU 0.8927
186 ASP 0.8927
187 TLA 0.8925
188 PXM 0.8924
189 ZXD 0.8922
190 H6B 0.8922
191 F05 0.8920
192 N7P 0.8920
193 3CU 0.8920
194 PRZ 0.8919
195 7HP 0.8919
196 HBA 0.8916
197 CGB 0.8914
198 7VS 0.8914
199 ORO 0.8913
200 FX1 0.8913
201 EDG 0.8912
202 2CQ 0.8911
203 NTM 0.8911
204 7HQ 0.8910
205 Q6T 0.8910
206 MO8 0.8909
207 AOS 0.8908
208 TVP 0.8907
209 45C 0.8904
210 1P7 0.8904
211 42C 0.8904
212 1U6 0.8902
213 F5B 0.8901
214 4NC 0.8901
215 5B1 0.8900
216 2XX 0.8899
217 2D0 0.8899
218 4HO 0.8898
219 6F0 0.8898
220 TNE 0.8897
221 MCT 0.8893
222 0R0 0.8891
223 PFB 0.8890
224 RBL 0.8890
225 GOO 0.8890
226 HMH 0.8889
227 3U4 0.8889
228 5RO 0.8888
229 2TQ 0.8888
230 6LW 0.8886
231 XUL 0.8884
232 1NP 0.8884
233 GLY PRO 0.8884
234 4CS 0.8884
235 ISD 0.8883
236 URC 0.8882
237 M0Q 0.8882
238 4AA 0.8882
239 2YU 0.8881
240 GYE 0.8881
241 M1E 0.8880
242 5QX 0.8880
243 JPZ 0.8878
244 MLT 0.8878
245 1SQ 0.8877
246 VNL 0.8876
247 4YS 0.8875
248 5M0 0.8875
249 D1X 0.8875
250 J9W 0.8874
251 MWP 0.8874
252 4ZC 0.8873
253 QSB 0.8873
254 N5J 0.8872
255 JB5 0.8872
256 ROR 0.8872
257 EXO 0.8871
258 03V 0.8870
259 HX3 0.8870
260 NSP 0.8869
261 ES1 0.8869
262 NDM 0.8868
263 9EW 0.8867
264 AKH 0.8866
265 CHB 0.8866
266 JBH 0.8866
267 DIE 0.8865
268 6M4 0.8863
269 YTB 0.8862
270 R8A 0.8861
271 4JJ 0.8861
272 SRT 0.8860
273 KIF 0.8860
274 PXL 0.8860
275 1PT 0.8860
276 4HC 0.8859
277 2HO 0.8859
278 4Z4 0.8857
279 3NT 0.8857
280 5SG 0.8855
281 HLR 0.8854
282 23A 0.8852
283 COU 0.8851
284 PSV 0.8851
285 4JT 0.8851
286 HQY 0.8851
287 4CL 0.8850
288 5IQ 0.8848
289 2AC 0.8848
290 1LM 0.8848
291 4ZE 0.8846
292 AH8 0.8846
293 PAF 0.8845
294 ES5 0.8845
295 27Y 0.8844
296 ES6 0.8844
297 2LP 0.8843
298 GLG 0.8842
299 6AI 0.8841
300 ICO 0.8841
301 RSF 0.8839
302 FA1 0.8839
303 PHE 0.8839
304 M1A 0.8839
305 3MG 0.8838
306 4M0 0.8838
307 KKN 0.8837
308 261 0.8836
309 9MG 0.8836
310 2AQ 0.8836
311 5OB 0.8835
312 NK 0.8835
313 DOR 0.8834
314 XBZ 0.8834
315 SF6 0.8833
316 H76 0.8833
317 6KX 0.8833
318 3OC 0.8833
319 UEG 0.8832
320 6CS 0.8832
321 DIG 0.8831
322 2CK 0.8831
323 5Q0 0.8831
324 MZG 0.8831
325 CN0 0.8831
326 CWS 0.8830
327 JAE 0.8829
328 KUF 0.8829
329 7MH 0.8827
330 4FS 0.8827
331 5JC 0.8827
332 MWM 0.8826
333 BR9 0.8826
334 LMR 0.8826
335 C2U 0.8825
336 OCH 0.8823
337 TH7 0.8822
338 DQN 0.8822
339 KIB 0.8821
340 3R9 0.8821
341 KT7 0.8821
342 H42 0.8820
343 7W4 0.8819
344 JZ2 0.8819
345 M1Q 0.8819
346 3Z8 0.8818
347 ES7 0.8818
348 3ID 0.8816
349 15L 0.8816
350 GOX 0.8814
351 BHA 0.8813
352 P3K 0.8810
353 TM7 0.8810
354 86J 0.8810
355 A1U 0.8810
356 53C 0.8809
357 MWJ 0.8809
358 ISN 0.8808
359 BZ3 0.8808
360 XYD 0.8807
361 2MN 0.8807
362 VNJ 0.8806
363 3Z7 0.8806
364 5MI 0.8806
365 O72 0.8806
366 KPL 0.8805
367 T6C 0.8805
368 8CM 0.8805
369 5QY 0.8805
370 5WV 0.8805
371 8TX 0.8804
372 6M9 0.8804
373 XQ0 0.8804
374 67N 0.8804
375 5MB 0.8803
376 PSJ 0.8803
377 275 0.8803
378 3DY 0.8802
379 TC7 0.8802
380 5H1 0.8802
381 GAB 0.8801
382 14O 0.8800
383 RUU 0.8800
384 FP1 0.8800
385 MR1 0.8798
386 4A3 0.8798
387 1MC 0.8797
388 F4Z 0.8796
389 4VP 0.8796
390 OXC 0.8795
391 1DW 0.8795
392 IHB 0.8794
393 XX2 0.8793
394 NNO 0.8792
395 8EZ 0.8791
396 OAA 0.8791
397 HJP 0.8791
398 GDE 0.8790
399 15E 0.8790
400 PHT 0.8789
401 QIC 0.8789
402 34A 0.8789
403 2MI 0.8789
404 8ZE 0.8787
405 HT4 0.8785
406 7VJ 0.8783
407 NDH 0.8783
408 ADZ 0.8783
409 3HM 0.8782
410 2MP 0.8782
411 6JN 0.8781
412 PCA 0.8781
413 ICP 0.8780
414 PYD 0.8780
415 286 0.8779
416 EYK 0.8779
417 TH0 0.8779
418 XQG 0.8778
419 ES9 0.8778
420 AX7 0.8776
421 270 0.8776
422 JIF 0.8775
423 YQA 0.8775
424 ABV 0.8774
425 ASN 0.8773
426 FHB 0.8773
427 3HB 0.8773
428 HH5 0.8772
429 LT2 0.8772
430 0RW 0.8772
431 TDR 0.8770
432 5MH 0.8769
433 F60 0.8769
434 LDP 0.8768
435 5RN 0.8768
436 9HX 0.8767
437 3C7 0.8766
438 9R5 0.8766
439 9DA 0.8766
440 8WO 0.8765
441 9TZ 0.8765
442 SF9 0.8764
443 JND 0.8763
444 KJU 0.8761
445 0W8 0.8761
446 GTR 0.8760
447 NPO 0.8759
448 NTZ 0.8759
449 INE 0.8758
450 PHB 0.8757
451 URP 0.8756
452 FBT 0.8756
453 UNC 0.8755
454 6M1 0.8754
455 F31 0.8754
456 PRF 0.8753
457 6MP 0.8752
458 A7W 0.8752
459 11S 0.8751
460 4NG 0.8750
461 KP6 0.8750
462 DMD 0.8750
463 HH8 0.8750
464 10L 0.8749
465 2K4 0.8749
466 24W 0.8748
467 1P8 0.8747
468 1P3 0.8746
469 TTY 0.8745
470 ZZ3 0.8742
471 6AP 0.8742
472 QUZ 0.8740
473 Y8I 0.8739
474 5MK 0.8738
475 4P0 0.8737
476 Q24 0.8737
477 9YT 0.8737
478 ALA PRO 0.8736
479 M1H 0.8736
480 OVV 0.8736
481 BSX 0.8735
482 DQU 0.8734
483 L99 0.8734
484 GIO 0.8734
485 SYV 0.8734
486 SVN 0.8734
487 82I 0.8734
488 TWO 0.8734
489 AZA 0.8733
490 2HQ 0.8732
491 42A 0.8732
492 4VY 0.8731
493 PZI 0.8730
494 MRW 0.8728
495 AZ9 0.8728
496 LDU 0.8726
497 RM1 0.8725
498 KLW 0.8724
499 4JQ 0.8724
500 8WT 0.8724
501 FDB 0.8723
502 B62 0.8722
503 LZM 0.8720
504 HLZ 0.8720
505 JZ4 0.8720
506 44V 0.8720
507 XIY 0.8719
508 FA3 0.8717
509 HIO 0.8717
510 43M 0.8717
511 DHQ 0.8716
512 4YO 0.8716
513 34V 0.8716
514 IPM 0.8715
515 7W1 0.8713
516 GTL 0.8712
517 HQD 0.8712
518 1XX 0.8711
519 DBX 0.8710
520 NGO 0.8710
521 FK1 0.8710
522 XX3 0.8709
523 C2A 0.8709
524 5UC 0.8708
525 X05 0.8706
526 LYL 0.8705
527 7WA 0.8705
528 DIN 0.8704
529 HQT 0.8703
530 SE2 0.8702
531 DBJ 0.8701
532 75K 0.8700
533 K2T 0.8699
534 GJS 0.8698
535 AZ8 0.8698
536 1XN 0.8697
537 GLU 0.8696
538 D48 0.8696
539 7NI 0.8696
540 4XV 0.8695
541 MZB 0.8695
542 42J 0.8694
543 0TR 0.8694
544 K3Q 0.8693
545 R9S 0.8692
546 FBB 0.8692
547 G3E 0.8692
548 PBE 0.8692
549 PM6 0.8692
550 6R8 0.8690
551 SX1 0.8689
552 BTY 0.8688
553 4XH 0.8688
554 IT9 0.8687
555 FBA 0.8687
556 8EW 0.8687
557 MLE 0.8687
558 NPY 0.8686
559 ES4 0.8684
560 SKM 0.8684
561 FE DB1 0.8684
562 KIA 0.8684
563 1LN 0.8683
564 XM0 0.8682
565 PE0 0.8681
566 IDH 0.8681
567 NCD 0.8678
568 TLD 0.8677
569 7N0 0.8675
570 BP1 0.8675
571 J5I 0.8674
572 HDL 0.8674
573 KBB 0.8670
574 IFP 0.8669
575 SWD 0.8668
576 BCU 0.8668
577 32X 0.8668
578 3BU 0.8667
579 BHO 0.8667
580 2ZM 0.8667
581 AW5 0.8666
582 QAS 0.8666
583 SHA 0.8665
584 CFI 0.8662
585 GLL 0.8662
586 A2F 0.8661
587 IDM 0.8660
588 3SK 0.8658
589 S76 0.8658
590 0HN 0.8658
591 PRY 0.8658
592 GM7 0.8658
593 MRZ 0.8656
594 EKZ 0.8656
595 717 0.8655
596 7CZ 0.8654
597 IGA 0.8654
598 3AB 0.8653
599 MS9 0.8653
600 4JO 0.8652
601 0HO 0.8651
602 OHP 0.8651
603 4XS 0.8650
604 JBK 0.8650
605 1XM 0.8649
606 JZ1 0.8649
607 QSH 0.8648
608 SR1 0.8648
609 IV2 0.8647
610 EOL 0.8647
611 1WD 0.8643
612 FPY 0.8643
613 TBP 0.8642
614 OMD 0.8641
615 5VM 0.8639
616 SPV 0.8639
617 1AB 0.8639
618 XLS 0.8638
619 IPB 0.8636
620 NMJ 0.8635
621 MUA 0.8635
622 34D 0.8635
623 9RH 0.8634
624 TSS 0.8634
625 WCE 0.8634
626 GLO 0.8633
627 1SV 0.8632
628 2A7 0.8632
629 141 0.8630
630 0FN 0.8629
631 1F1 0.8628
632 98J 0.8628
633 12M 0.8627
634 QAT 0.8624
635 MEW 0.8624
636 CTL 0.8624
637 ET2 0.8623
638 JTH 0.8622
639 ISZ 0.8621
640 NIZ 0.8620
641 7ZE 0.8619
642 EA1 0.8617
643 HIS 0.8615
644 5WY 0.8610
645 NGT 0.8610
646 NGW 0.8610
647 12Q 0.8610
648 HBD 0.8608
649 1SS 0.8606
650 2ZQ 0.8605
651 GBN 0.8604
652 4SV 0.8604
653 173 0.8603
654 EJZ 0.8603
655 R2B 0.8600
656 MD0 0.8598
657 IUR 0.8598
658 JXN 0.8596
659 3BZ 0.8595
660 UAN 0.8592
661 DQA 0.8592
662 SVD 0.8591
663 3A9 0.8591
664 2PG 0.8590
665 2BG 0.8590
666 GTZ 0.8589
667 RHU 0.8588
668 CFP 0.8587
669 ADK 0.8586
670 F9Y 0.8585
671 G5V 0.8584
672 7ME 0.8582
673 NHG 0.8581
674 ODO 0.8578
675 JBQ 0.8575
676 0LH 0.8575
677 495 0.8570
678 XHP 0.8570
679 GIM 0.8567
680 MT0 0.8566
681 7MK 0.8566
682 X0V 0.8565
683 GZ8 0.8563
684 ILE 0.8561
685 GT0 0.8560
686 FBM 0.8560
687 ES2 0.8555
688 5NI 0.8547
689 VC2 0.8542
690 IT2 0.8538
691 HQ9 0.8522
692 FUD 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NNW; Ligand: GCS; 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: 5nnw.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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