Receptor
PDB id Resolution Class Description Source Keywords
1SW1 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PROX FROM ARCHEOGLOBUS FULGIDUS IN COMP PROLINE BETAINE ARCHAEOGLOBUS FULGIDUS BINDING-PROTEIN COMPATIBLE SOLUTES CATION-PI INTERACTIONSCLASSICAL HYDROGEN BONDS PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR THE BINDING OF COMPATIBLE SOLU PROX FROM THE HYPERTHERMOPHILIC ARCHAEON ARCHAEOGLO FULGIDUS. J.BIOL.CHEM. V. 279 48270 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PBE A:301;
B:302;
 Valid;
Valid;
 none;
none;
 Kd = 50 nM
144.192 C7 H14 N O2 C[N+]...
ZN A:401;
A:402;
A:404;
A:406;
B:403;
B:405;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
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
1SW1 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PROX FROM ARCHEOGLOBUS FULGIDUS IN COMP PROLINE BETAINE ARCHAEOGLOBUS FULGIDUS BINDING-PROTEIN COMPATIBLE SOLUTES CATION-PI INTERACTIONSCLASSICAL HYDROGEN BONDS PROTEIN BINDING
Ref.: STRUCTURAL BASIS FOR THE BINDING OF COMPATIBLE SOLU PROX FROM THE HYPERTHERMOPHILIC ARCHAEON ARCHAEOGLO FULGIDUS. J.BIOL.CHEM. V. 279 48270 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1SW1 Kd = 50 nM PBE C7 H14 N O2 C[N+]1(CCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1SW1 Kd = 50 nM PBE C7 H14 N O2 C[N+]1(CCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1SW1 Kd = 50 nM PBE C7 H14 N O2 C[N+]1(CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PBE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PBE 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PBE; Similar ligands found: 743
No: Ligand Similarity coefficient
1 CIZ 0.9529
2 GAG 0.9524
3 ASP 0.9465
4 5AC 0.9462
5 PAF 0.9435
6 23B 0.9421
7 UYA 0.9417
8 FLA 0.9411
9 6HQ 0.9409
10 SAL 0.9405
11 9TY 0.9401
12 HPA 0.9391
13 NCA 0.9381
14 HY3 0.9379
15 PZA 0.9371
16 QFH 0.9370
17 60P 0.9366
18 OXQ 0.9363
19 BE2 0.9359
20 BEZ 0.9358
21 RSF 0.9354
22 GLU 0.9354
23 KPL 0.9352
24 3U4 0.9348
25 ADE 0.9334
26 BEN 0.9328
27 NBZ 0.9325
28 7HP 0.9319
29 KYD 0.9315
30 NIO 0.9295
31 ES6 0.9290
32 YCP 0.9289
33 6PC 0.9289
34 8EZ 0.9284
35 BAM 0.9284
36 VGL 0.9282
37 HYP 0.9270
38 1WD 0.9266
39 FOA 0.9258
40 FP1 0.9252
41 IP0 0.9251
42 3SK 0.9251
43 AC5 0.9251
44 GBD 0.9250
45 PRO 0.9248
46 NTN 0.9237
47 WTZ 0.9236
48 LXC 0.9231
49 DMV 0.9230
50 ASN 0.9226
51 OXZ 0.9225
52 URQ 0.9220
53 R8A 0.9217
54 SYN 0.9215
55 AHR 0.9213
56 LMR 0.9212
57 IDM 0.9210
58 MRZ 0.9209
59 UNU 0.9207
60 32O 0.9202
61 TLA 0.9194
62 SOE 0.9187
63 RUU 0.9187
64 SS2 0.9186
65 VNJ 0.9186
66 QSC 0.9185
67 Z6J 0.9181
68 PAV 0.9180
69 XAN 0.9178
70 AUD 0.9178
71 XYP 0.9172
72 CRN 0.9169
73 FUB 0.9164
74 ITN 0.9163
75 MLT 0.9161
76 PBC 0.9155
77 25W 0.9150
78 4SV 0.9149
79 M58 0.9148
80 FUL 0.9148
81 ABE 0.9146
82 BTE 0.9145
83 282 0.9138
84 LDU 0.9132
85 2PC 0.9132
86 JKE 0.9130
87 JZ3 0.9130
88 ARB 0.9130
89 HZP 0.9129
90 34V 0.9128
91 RIB 0.9123
92 DPR 0.9123
93 RP7 0.9116
94 JBN 0.9114
95 FAC 0.9112
96 DAS 0.9112
97 OAA 0.9111
98 GYE 0.9108
99 TFB 0.9108
100 URA 0.9104
101 280 0.9104
102 N8P 0.9102
103 1DQ 0.9102
104 NMJ 0.9101
105 RIP 0.9101
106 51F 0.9099
107 IT2 0.9098
108 I2M 0.9095
109 64K 0.9095
110 PYC 0.9094
111 F05 0.9094
112 0MK 0.9093
113 EDG 0.9090
114 PAE 0.9088
115 NK 0.9087
116 URF 0.9082
117 1PT 0.9082
118 GUN 0.9081
119 FUC 0.9079
120 YTB 0.9077
121 AC0 0.9076
122 JBE 0.9076
123 273 0.9075
124 9DG 0.9070
125 DEN 0.9067
126 TP5 0.9067
127 286 0.9064
128 UY7 0.9062
129 TZC 0.9060
130 VAL 0.9060
131 ZXD 0.9059
132 CAM 0.9057
133 HPY 0.9056
134 BZF 0.9056
135 FPY 0.9056
136 CNL 0.9055
137 THR 0.9055
138 R1X 0.9054
139 R2B 0.9054
140 SS1 0.9053
141 278 0.9053
142 SMV 0.9051
143 26D 0.9050
144 XYS 0.9049
145 FPK 0.9048
146 OAF 0.9048
147 APY 0.9047
148 IND 0.9046
149 3NT 0.9045
150 FRU 0.9042
151 1LN 0.9042
152 YHO 0.9038
153 98J 0.9036
154 0R0 0.9036
155 BZX 0.9033
156 MZ0 0.9029
157 FPI 0.9029
158 NEQ 0.9029
159 HBX 0.9026
160 BZI 0.9026
161 SJ5 0.9025
162 7WV 0.9025
163 6UA 0.9025
164 40O 0.9024
165 IMR 0.9022
166 ECE 0.9022
167 RAM 0.9019
168 GVH 0.9018
169 WBU 0.9017
170 TMH 0.9016
171 DBH 0.9015
172 HH5 0.9013
173 THE 0.9010
174 DUC 0.9010
175 ARA 0.9009
176 BNS 0.9007
177 DAB 0.9005
178 9HX 0.9005
179 AZF 0.9004
180 L3Q 0.9004
181 1MR 0.9003
182 0CT 0.9002
183 SEJ 0.9000
184 ABN 0.8997
185 HHA 0.8997
186 XXR 0.8994
187 1DU 0.8994
188 10L 0.8994
189 9DA 0.8993
190 BHO 0.8991
191 MAK 0.8989
192 SNE 0.8987
193 2BN 0.8986
194 JZ9 0.8986
195 3SL 0.8985
196 192 0.8985
197 N7P 0.8985
198 1LQ 0.8985
199 CP 0.8984
200 AHB 0.8983
201 7N0 0.8983
202 AKB 0.8982
203 BP1 0.8982
204 LZ1 0.8981
205 8GC 0.8981
206 PYJ 0.8980
207 0R1 0.8979
208 GAB 0.8977
209 DZX 0.8975
210 NVI 0.8974
211 MPI 0.8973
212 4PW 0.8972
213 MEV 0.8971
214 PY7 0.8970
215 PYF 0.8968
216 DFU 0.8968
217 6MP 0.8967
218 OEM 0.8967
219 VAH 0.8967
220 DIG 0.8967
221 TZE 0.8966
222 CAH 0.8964
223 7WA 0.8963
224 1P3 0.8961
225 O7U 0.8961
226 SRT 0.8959
227 2DR 0.8959
228 284 0.8959
229 40E 0.8957
230 G2F 0.8955
231 5CU 0.8955
232 ALO 0.8953
233 CRS 0.8952
234 1AB 0.8952
235 ASO 0.8952
236 C21 0.8951
237 6F0 0.8947
238 6JN 0.8946
239 ICF 0.8945
240 TAR 0.8943
241 FBV 0.8942
242 BVG 0.8942
243 AFR 0.8940
244 SVJ 0.8939
245 OVV 0.8939
246 3HA 0.8938
247 6M4 0.8938
248 2TQ 0.8938
249 3F0 0.8937
250 PTO 0.8937
251 53C 0.8936
252 GRE 0.8935
253 IDH 0.8935
254 NBE 0.8934
255 JZ5 0.8934
256 JZ7 0.8933
257 3ZQ 0.8932
258 H3M 0.8931
259 ES4 0.8930
260 SYG 0.8930
261 NOJ 0.8927
262 2CK 0.8926
263 14J 0.8924
264 DPF 0.8924
265 T2C 0.8921
266 PM6 0.8920
267 PYG 0.8920
268 DMJ 0.8919
269 JZ4 0.8918
270 IFM 0.8917
271 CAQ 0.8917
272 ILE 0.8916
273 KIV 0.8915
274 G6D 0.8913
275 CGB 0.8913
276 FCA 0.8912
277 8S0 0.8912
278 GLC 0.8911
279 GLA 0.8910
280 AGK 0.8910
281 261 0.8908
282 4CS 0.8907
283 CHT 0.8906
284 UGC 0.8906
285 54G 0.8905
286 TCM 0.8905
287 285 0.8905
288 4XR 0.8904
289 265 0.8904
290 FB1 0.8903
291 Q88 0.8903
292 DXX 0.8902
293 NPO 0.8901
294 GG6 0.8899
295 ISZ 0.8899
296 FUF 0.8899
297 5NU 0.8898
298 LRH 0.8898
299 3AB 0.8897
300 FEH 0.8896
301 BDR 0.8896
302 FYU 0.8895
303 IOM 0.8895
304 9EW 0.8895
305 DTL 0.8895
306 6CS 0.8894
307 NXA 0.8893
308 HIO 0.8893
309 DOB 0.8890
310 NCM 0.8890
311 PCA 0.8888
312 RHU 0.8887
313 2ZV 0.8887
314 MAN 0.8886
315 PPR 0.8885
316 G4D 0.8884
317 SVN 0.8884
318 5RG 0.8884
319 2PG 0.8883
320 3HB 0.8882
321 S0H 0.8882
322 TDR 0.8881
323 FCB 0.8880
324 MFB 0.8879
325 3M0 0.8879
326 JYD 0.8879
327 6M1 0.8876
328 GTQ 0.8876
329 CFI 0.8874
330 SWA 0.8874
331 7B4 0.8872
332 CYT 0.8872
333 9CL 0.8871
334 JZ1 0.8870
335 GLN 0.8868
336 SIN 0.8867
337 TB6 0.8866
338 GIF 0.8866
339 XLS 0.8865
340 PHB 0.8865
341 HSE 0.8863
342 BFM 0.8862
343 6KX 0.8860
344 2LP 0.8860
345 RSO 0.8860
346 GOO 0.8859
347 PRS 0.8858
348 1DV 0.8858
349 J1Z 0.8855
350 H76 0.8854
351 AH8 0.8854
352 AZA 0.8852
353 B24 0.8852
354 0TR 0.8851
355 INS 0.8851
356 OFQ 0.8850
357 LG3 0.8849
358 6M9 0.8849
359 3V4 0.8845
360 AMC 0.8844
361 BDF 0.8843
362 DGJ 0.8843
363 EXO 0.8841
364 4JP 0.8841
365 IPH 0.8841
366 DOR 0.8840
367 5M0 0.8840
368 I1E 0.8839
369 7WG 0.8839
370 TNE 0.8838
371 G3F 0.8838
372 ICC 0.8837
373 8EW 0.8836
374 RM4 0.8835
375 ICN 0.8835
376 1MC 0.8834
377 SAT 0.8833
378 MRY 0.8833
379 RBL 0.8832
380 XUL 0.8832
381 BEW 0.8832
382 HGQ 0.8831
383 GCS 0.8830
384 PEP 0.8830
385 PMB 0.8829
386 IQ0 0.8828
387 GIO 0.8828
388 7MH 0.8827
389 24W 0.8826
390 HLR 0.8826
391 XM0 0.8825
392 DCL 0.8825
393 23W 0.8824
394 HBA 0.8822
395 RCO 0.8821
396 47J 0.8820
397 PAB 0.8819
398 BE7 0.8818
399 1XX 0.8818
400 MLI 0.8817
401 2AS 0.8816
402 270 0.8815
403 1DJ 0.8814
404 SHA 0.8813
405 3PY 0.8813
406 T9G 0.8813
407 4HO 0.8812
408 LFR 0.8810
409 PCT 0.8810
410 XBT 0.8809
411 TH0 0.8808
412 9TZ 0.8807
413 CAE 0.8805
414 HVQ 0.8803
415 MLA 0.8803
416 TH7 0.8801
417 Z82 0.8801
418 SC2 0.8801
419 RB0 0.8801
420 FA0 0.8800
421 NIZ 0.8800
422 7EX 0.8799
423 EQT 0.8798
424 MCT 0.8798
425 8GF 0.8797
426 COI 0.8797
427 HSM 0.8797
428 URP 0.8795
429 PLQ 0.8794
430 ADO 0.8794
431 EHM 0.8794
432 M6W 0.8793
433 PRI 0.8792
434 9X7 0.8791
435 911 0.8791
436 ZBT 0.8791
437 0RW 0.8790
438 4DX 0.8789
439 7HQ 0.8789
440 QUZ 0.8789
441 A2Q 0.8789
442 LG5 0.8789
443 3OC 0.8784
444 3XX 0.8781
445 HY1 0.8781
446 7CZ 0.8780
447 DFB 0.8779
448 2EZ 0.8779
449 A1U 0.8779
450 ENL 0.8778
451 WOO 0.8778
452 3BZ 0.8776
453 CXL 0.8776
454 A2F 0.8776
455 4ZE 0.8776
456 275 0.8776
457 LER 0.8775
458 CFP 0.8775
459 ASC 0.8774
460 ODV 0.8774
461 3DY 0.8773
462 CDV 0.8773
463 MWM 0.8772
464 ROR 0.8771
465 NPY 0.8771
466 MFU 0.8770
467 6AP 0.8769
468 ICP 0.8768
469 PYD 0.8768
470 JAB 0.8768
471 PEL 0.8768
472 FBT 0.8768
473 MXN 0.8763
474 7VD 0.8763
475 PSV 0.8763
476 HQE 0.8763
477 OHG 0.8762
478 2IM 0.8761
479 MPD 0.8761
480 M1A 0.8760
481 5Q0 0.8760
482 GAL 0.8759
483 MNN 0.8759
484 67N 0.8759
485 ADZ 0.8759
486 271 0.8759
487 TEO 0.8759
488 3MC 0.8755
489 3CH 0.8754
490 12M 0.8754
491 51R 0.8754
492 KBG 0.8752
493 CMS 0.8752
494 BAE 0.8752
495 N5J 0.8752
496 2AC 0.8751
497 FCN 0.8750
498 SER 0.8750
499 IHG 0.8750
500 HRZ 0.8747
501 HQY 0.8745
502 AX7 0.8745
503 RNS 0.8744
504 4JU 0.8744
505 BHA 0.8743
506 1NP 0.8743
507 3RK 0.8743
508 IGA 0.8743
509 4XX 0.8742
510 XBZ 0.8742
511 HMH 0.8742
512 BOA 0.8741
513 AZG 0.8740
514 5SG 0.8737
515 5IQ 0.8737
516 MAE 0.8737
517 FPN 0.8736
518 DA1 0.8736
519 IFL 0.8735
520 PEA 0.8734
521 1SQ 0.8734
522 CYH 0.8734
523 FX1 0.8732
524 5MK 0.8731
525 LEU 0.8731
526 HVK 0.8731
527 SPV 0.8730
528 WOT 0.8730
529 6AI 0.8729
530 K6H 0.8728
531 IPM 0.8728
532 5UC 0.8728
533 23A 0.8727
534 2K4 0.8727
535 4CH 0.8726
536 2MP 0.8725
537 2AP 0.8724
538 IPZ 0.8723
539 14O 0.8723
540 LGA 0.8722
541 YH7 0.8722
542 1AC 0.8722
543 MB3 0.8720
544 BVF 0.8720
545 4AP 0.8719
546 HH8 0.8718
547 FK1 0.8718
548 3FA 0.8718
549 3AP 0.8718
550 1XM 0.8717
551 PCR 0.8716
552 34A 0.8716
553 MMZ 0.8716
554 MLE 0.8715
555 P92 0.8715
556 P22 0.8714
557 BVC 0.8713
558 290 0.8712
559 2MI 0.8712
560 XYD 0.8712
561 9PO 0.8712
562 5H1 0.8711
563 ES1 0.8711
564 4M0 0.8711
565 4YS 0.8711
566 1XN 0.8709
567 WCE 0.8709
568 141 0.8709
569 QDK 0.8708
570 FAN 0.8708
571 F81 0.8707
572 FB2 0.8707
573 LCN 0.8707
574 4NC 0.8706
575 HMU 0.8706
576 F60 0.8705
577 GXL 0.8705
578 MBN 0.8705
579 25R 0.8704
580 BMA 0.8704
581 JIF 0.8703
582 MNM 0.8703
583 5MB 0.8702
584 CEE 0.8701
585 2MH 0.8701
586 MBD 0.8701
587 1Y6 0.8700
588 JPZ 0.8698
589 2YU 0.8697
590 HYN 0.8697
591 PZI 0.8695
592 4P0 0.8695
593 HIU 0.8694
594 5MH 0.8694
595 DX4 0.8694
596 95Z 0.8692
597 4VP 0.8692
598 TMZ 0.8691
599 L89 0.8691
600 SWD 0.8691
601 DGY 0.8690
602 KSW 0.8690
603 RIM 0.8689
604 NVA 0.8689
605 CXF 0.8689
606 2XX 0.8687
607 IF7 0.8687
608 LG4 0.8686
609 CEJ 0.8686
610 4CL 0.8685
611 JBK 0.8685
612 V1L 0.8684
613 308 0.8684
614 5HN 0.8684
615 ES9 0.8684
616 5MI 0.8682
617 1AN 0.8681
618 ZZT 0.8680
619 L60 0.8680
620 3HL 0.8678
621 C2A 0.8677
622 ARW 0.8676
623 SMB 0.8676
624 2C9 0.8675
625 2KT 0.8674
626 3MA 0.8674
627 1WG 0.8674
628 P72 0.8673
629 FP2 0.8673
630 149 0.8672
631 0CU 0.8672
632 4XH 0.8670
633 FFP 0.8670
634 GAF 0.8670
635 FLM 0.8669
636 CIG 0.8668
637 ADK 0.8668
638 11S 0.8667
639 WDL 0.8667
640 KOJ 0.8667
641 92Z 0.8666
642 H4N 0.8663
643 2CH 0.8663
644 XSP 0.8661
645 8LG 0.8660
646 DHB 0.8660
647 HSL 0.8659
648 AX2 0.8659
649 PRZ 0.8659
650 F5B 0.8659
651 C5J 0.8658
652 2PN 0.8656
653 PXY 0.8655
654 13X 0.8654
655 BR8 0.8652
656 1U5 0.8651
657 8NY 0.8651
658 2MY 0.8650
659 24B 0.8650
660 4JJ 0.8650
661 76X 0.8648
662 X6X 0.8644
663 BML 0.8643
664 JZ2 0.8642
665 PPV 0.8642
666 4JO 0.8641
667 HCS 0.8638
668 LGC 0.8637
669 54D 0.8634
670 KG7 0.8633
671 MWJ 0.8632
672 5JC 0.8632
673 5WV 0.8631
674 HBD 0.8631
675 3AY 0.8631
676 1DW 0.8629
677 G2H 0.8628
678 27Y 0.8627
679 BP9 0.8627
680 GLF 0.8624
681 4H2 0.8623
682 13P 0.8623
683 GMN 0.8622
684 HT4 0.8622
685 JAE 0.8621
686 GXE 0.8620
687 ABV 0.8617
688 BR9 0.8616
689 4HS 0.8615
690 ES0 0.8614
691 FMS 0.8614
692 0V5 0.8613
693 PGA 0.8613
694 TMT 0.8613
695 9RW 0.8612
696 FBM 0.8611
697 3SY 0.8610
698 BRT 0.8610
699 43M 0.8609
700 PA1 0.8609
701 MLM 0.8606
702 93B 0.8604
703 HAI 0.8602
704 93Q 0.8601
705 938 0.8600
706 2HE 0.8600
707 2CM 0.8600
708 XCZ 0.8597
709 S76 0.8594
710 3MH 0.8594
711 NSP 0.8593
712 4JL 0.8591
713 IUR 0.8590
714 8H8 0.8590
715 DS0 0.8589
716 DSN 0.8587
717 TM7 0.8586
718 5ZE 0.8585
719 2AF 0.8584
720 M3T 0.8579
721 6MH 0.8576
722 F9P 0.8576
723 6X8 0.8576
724 FBA 0.8575
725 OK7 0.8572
726 QY9 0.8572
727 B3R 0.8569
728 3CE 0.8568
729 AAE 0.8567
730 CWM 0.8567
731 SX1 0.8567
732 PPF 0.8558
733 MET 0.8558
734 FA1 0.8558
735 2A7 0.8552
736 SFU 0.8542
737 4AX 0.8540
738 MED 0.8540
739 2D0 0.8536
740 NOY 0.8529
741 ERH 0.8524
742 YIO 0.8524
743 SVD 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SW1; Ligand: PBE; 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: 1sw1.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SW1; Ligand: PBE; 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: 1sw1.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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