Receptor
PDB id Resolution Class Description Source Keywords
1DE5 2.2 Å EC: 5.3.1.14 L-RHAMNOSE ISOMERASE ESCHERICHIA COLI (BETA8/ALPHA8) BARREL TIM BARREL HYDRIDE SHIFT ISOMERASE
Ref.: THE STRUCTURE OF RHAMNOSE ISOMERASE FROM ESCHERICHI AND ITS RELATION WITH XYLOSE ISOMERASE ILLUSTRATES BETWEEN INTER AND INTRA-SUBUNIT COMPLEMENTATION DUR EVOLUTION. J.MOL.BIOL. V. 300 917 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RNT A:1460;
B:2460;
C:3460;
D:4460;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
166.172 C6 H14 O5 C[C@@...
ZN A:450;
B:450;
C:450;
D:450;
 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
1DE6 2.1 Å EC: 5.3.1.14 L-RHAMNOSE ISOMERASE ESCHERICHIA COLI (BETA8/ALPHA8) BARREL TIM BARREL HYDRIDE SHIFT ISOMERASE
Ref.: THE STRUCTURE OF RHAMNOSE ISOMERASE FROM ESCHERICHI AND ITS RELATION WITH XYLOSE ISOMERASE ILLUSTRATES BETWEEN INTER AND INTRA-SUBUNIT COMPLEMENTATION DUR EVOLUTION. J.MOL.BIOL. V. 300 917 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DE6 - RNS C6 H12 O5 C[C@@H]([C....
2 1DE5 - RNT C6 H14 O5 C[C@@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DE6 - RNS C6 H12 O5 C[C@@H]([C....
2 1DE5 - RNT C6 H14 O5 C[C@@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DE6 - RNS C6 H12 O5 C[C@@H]([C....
2 1DE5 - RNT C6 H14 O5 C[C@@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RNT; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 RNT 1 1
2 FOC 1 1
3 MTL 0.6 0.909091
4 SOR 0.6 0.909091
5 RB0 0.454545 0.869565
6 XYL 0.454545 0.869565
7 MMN 0.4375 0.617647
8 GLO 0.4 0.909091
9 3BU 0.4 0.909091
10 DNO 0.4 0.909091
11 AOS 0.4 0.909091
Similar Ligands (3D)
Ligand no: 1; Ligand: RNT; Similar ligands found: 738
No: Ligand Similarity coefficient
1 RNS 0.9868
2 TLA 0.9635
3 SDD 0.9586
4 QDK 0.9529
5 HIO 0.9463
6 ZXD 0.9405
7 SOL 0.9402
8 EHM 0.9394
9 AMH 0.9390
10 SRT 0.9389
11 XLS 0.9388
12 BZ3 0.9384
13 3PG 0.9382
14 5OB 0.9376
15 5FX 0.9372
16 MLT 0.9367
17 GLN 0.9329
18 LRH 0.9322
19 8OZ 0.9320
20 TSU 0.9316
21 HYA 0.9313
22 NOJ 0.9306
23 XUL 0.9305
24 I3A 0.9302
25 TAG 0.9301
26 4AA 0.9297
27 OAA 0.9295
28 BZX 0.9293
29 XM0 0.9291
30 3OC 0.9288
31 AKG 0.9283
32 FA1 0.9283
33 PEP 0.9283
34 173 0.9280
35 ISZ 0.9279
36 DGL 0.9277
37 7N0 0.9276
38 SAN 0.9276
39 IFL 0.9274
40 TYL 0.9274
41 5XC 0.9269
42 COI 0.9268
43 SD4 0.9264
44 FA0 0.9264
45 DOB 0.9262
46 PDC 0.9262
47 CFI 0.9262
48 RBL 0.9261
49 LFC 0.9260
50 AL0 0.9257
51 GLC 0.9257
52 GTQ 0.9256
53 RAT 0.9251
54 5RN 0.9249
55 MXN 0.9248
56 TAR 0.9247
57 GAL 0.9246
58 4CS 0.9245
59 5RG 0.9244
60 HIS 0.9243
61 NOY 0.9238
62 4M0 0.9237
63 3DM 0.9233
64 54G 0.9233
65 CTL 0.9228
66 1P3 0.9225
67 AHR 0.9225
68 XRG 0.9225
69 ROR 0.9224
70 2FT 0.9217
71 RB5 0.9211
72 ASP 0.9210
73 NPO 0.9209
74 93K 0.9207
75 BHO 0.9207
76 7C3 0.9207
77 5M0 0.9205
78 BE2 0.9204
79 V55 0.9203
80 PHB 0.9202
81 NIZ 0.9202
82 GLA 0.9201
83 G2F 0.9199
84 OGA 0.9198
85 SOE 0.9198
86 GLU 0.9197
87 MNN 0.9197
88 INO 0.9194
89 FUD 0.9193
90 4P5 0.9193
91 8ZE 0.9192
92 DHB 0.9190
93 KOJ 0.9189
94 PZI 0.9188
95 FP1 0.9183
96 3LR 0.9182
97 CRN 0.9182
98 PBZ 0.9180
99 KJU 0.9180
100 IOM 0.9180
101 HBD 0.9179
102 3XX 0.9179
103 T9G 0.9178
104 717 0.9174
105 RMN 0.9174
106 1DJ 0.9170
107 2RH 0.9168
108 3SL 0.9166
109 NDH 0.9165
110 LCN 0.9163
111 IXW 0.9163
112 4NM 0.9162
113 9RW 0.9161
114 URP 0.9161
115 MYJ 0.9160
116 TEO 0.9159
117 4HM 0.9159
118 P9P 0.9159
119 PMB 0.9158
120 ASO 0.9156
121 3HB 0.9155
122 6JN 0.9154
123 DNF 0.9154
124 K7M 0.9153
125 1SA 0.9153
126 MEV 0.9149
127 PEQ 0.9148
128 K6H 0.9147
129 GRO 0.9146
130 5XB 0.9145
131 6M4 0.9145
132 4NC 0.9145
133 PAF 0.9145
134 6NT 0.9144
135 LLH 0.9143
136 A29 0.9143
137 PZM 0.9142
138 OVM 0.9142
139 PSJ 0.9140
140 SPV 0.9140
141 1F1 0.9140
142 261 0.9139
143 3M0 0.9137
144 SAL 0.9136
145 8WO 0.9136
146 NCT 0.9135
147 MR1 0.9134
148 3F0 0.9133
149 OW4 0.9132
150 CHB 0.9132
151 DAS 0.9131
152 GJZ 0.9131
153 AAS 0.9130
154 JZ4 0.9130
155 HDH 0.9129
156 4JT 0.9129
157 13P 0.9128
158 FQI 0.9126
159 MAH 0.9126
160 SEP 0.9126
161 M1E 0.9124
162 OK7 0.9124
163 GLL 0.9122
164 2AS 0.9120
165 CXF 0.9120
166 MS9 0.9119
167 2HO 0.9119
168 VNJ 0.9116
169 DGN 0.9115
170 QSB 0.9115
171 9TZ 0.9114
172 3AB 0.9112
173 TIU 0.9112
174 HHA 0.9111
175 3HA 0.9111
176 HC4 0.9110
177 J9T 0.9108
178 53C 0.9107
179 MUC 0.9107
180 F0J 0.9107
181 HBA 0.9106
182 G4D 0.9106
183 9TW 0.9106
184 1Y6 0.9106
185 0LH 0.9106
186 40E 0.9104
187 MNM 0.9104
188 7A8 0.9103
189 SMN 0.9103
190 LMR 0.9102
191 5MK 0.9102
192 7MU 0.9101
193 EUG 0.9101
194 R9S 0.9101
195 XYH 0.9100
196 IHB 0.9099
197 AC6 0.9098
198 23J 0.9098
199 1DV 0.9098
200 TH7 0.9097
201 FB2 0.9096
202 264 0.9096
203 DE5 0.9094
204 MEQ 0.9093
205 VNL 0.9093
206 24B 0.9088
207 268 0.9086
208 ALA ALA 0.9085
209 2HG 0.9083
210 HL5 0.9082
211 B40 0.9081
212 PPR 0.9081
213 SIN 0.9080
214 GLY GLY 0.9080
215 51R 0.9078
216 PHU 0.9078
217 TSS 0.9078
218 ICF 0.9075
219 4RW 0.9075
220 I1E 0.9074
221 152 0.9073
222 GBN 0.9072
223 G3H 0.9071
224 DMJ 0.9070
225 SYG 0.9068
226 PAC 0.9068
227 4HP 0.9067
228 RIB 0.9066
229 ZGL 0.9066
230 ODO 0.9066
231 BHH 0.9062
232 CS2 0.9062
233 4VP 0.9061
234 2LP 0.9058
235 IFP 0.9057
236 A09 0.9057
237 PCA 0.9057
238 2AL 0.9057
239 3NT 0.9055
240 DHI 0.9055
241 JKE 0.9054
242 3NY 0.9054
243 PKU 0.9053
244 NMJ 0.9052
245 HSO 0.9052
246 3U4 0.9051
247 ZBT 0.9050
248 5GU 0.9050
249 QY9 0.9050
250 KMH 0.9048
251 PPY 0.9048
252 OVV 0.9048
253 3SK 0.9047
254 SHA 0.9047
255 3QM 0.9047
256 92K 0.9046
257 DHS 0.9044
258 PRZ 0.9044
259 DOR 0.9043
260 GAB 0.9042
261 FEH 0.9042
262 DMV 0.9042
263 FBV 0.9040
264 2CK 0.9038
265 069 0.9038
266 FBM 0.9037
267 GZ3 0.9037
268 7BC 0.9036
269 ILE 0.9035
270 GUA 0.9035
271 2CO 0.9035
272 6LW 0.9034
273 HA7 0.9033
274 AEG 0.9031
275 HDA 0.9031
276 HCI 0.9031
277 ASC 0.9031
278 DGJ 0.9029
279 1PT 0.9029
280 PSV 0.9028
281 LDP 0.9024
282 263 0.9022
283 SR1 0.9021
284 OAF 0.9020
285 OHP 0.9019
286 NCA 0.9019
287 SPA 0.9019
288 6NI 0.9018
289 FK8 0.9016
290 HHH 0.9016
291 YRL 0.9015
292 C5A 0.9014
293 0V5 0.9014
294 DBX 0.9013
295 AFR 0.9011
296 H42 0.9011
297 DS0 0.9010
298 IPM 0.9009
299 4VY 0.9007
300 RJY 0.9007
301 3MB 0.9005
302 3R6 0.9003
303 LEU 0.9001
304 UGC 0.8999
305 5NI 0.8998
306 AHB 0.8998
307 LFR 0.8997
308 NFA 0.8997
309 KDG 0.8996
310 HX3 0.8995
311 BEN 0.8994
312 PHE 0.8994
313 BEZ 0.8993
314 HQJ 0.8993
315 APG 0.8991
316 PBA 0.8990
317 4P0 0.8990
318 NXA 0.8990
319 F31 0.8990
320 O45 0.8989
321 OXZ 0.8989
322 GVG 0.8988
323 GP9 0.8987
324 MZB 0.8986
325 3DO 0.8986
326 LYS 0.8985
327 F4E 0.8985
328 NFQ 0.8984
329 PZA 0.8983
330 SKM 0.8983
331 MAN 0.8983
332 3C4 0.8982
333 PD2 0.8981
334 OTR 0.8979
335 ASN 0.8979
336 4FA 0.8978
337 G3P 0.8978
338 OMD 0.8978
339 1LN 0.8977
340 2IT 0.8977
341 NYL 0.8977
342 GXY 0.8976
343 XX2 0.8975
344 WCE 0.8974
345 7WG 0.8970
346 BAM 0.8969
347 1GP 0.8969
348 3YP 0.8969
349 GLY ALA 0.8967
350 5QY 0.8967
351 L99 0.8965
352 PBC 0.8965
353 ACH 0.8965
354 N4B 0.8963
355 NIO 0.8963
356 AZF 0.8963
357 TZL 0.8962
358 HFA 0.8962
359 1CO 0.8962
360 6CS 0.8961
361 JF6 0.8961
362 258 0.8960
363 C2A 0.8960
364 FUM 0.8959
365 MET 0.8959
366 82I 0.8958
367 LYL 0.8957
368 S2G 0.8954
369 3BZ 0.8954
370 SHI 0.8954
371 DIG 0.8954
372 45L 0.8952
373 OVP 0.8949
374 259 0.8948
375 6FZ 0.8948
376 BCU 0.8948
377 XBT 0.8948
378 OKG 0.8948
379 49F 0.8948
380 GZL 0.8947
381 PRY 0.8947
382 QMP 0.8946
383 FIX 0.8946
384 I4B 0.8944
385 6PC 0.8943
386 R67 0.8942
387 SYM 0.8941
388 Z6J 0.8941
389 CTS 0.8940
390 KDF 0.8939
391 X0V 0.8938
392 SRO 0.8938
393 TTL 0.8936
394 56D 0.8936
395 FRU 0.8936
396 98J 0.8936
397 DHK 0.8935
398 DIE 0.8935
399 UY7 0.8932
400 IF7 0.8932
401 DYA 0.8932
402 2FY 0.8930
403 SNE 0.8930
404 7UC 0.8928
405 NLE 0.8928
406 F9P 0.8925
407 GLR 0.8925
408 54D 0.8924
409 LER 0.8924
410 D1X 0.8924
411 GIF 0.8923
412 SYC 0.8921
413 RUU 0.8920
414 ICB 0.8919
415 EKZ 0.8919
416 BSX 0.8918
417 HDL 0.8918
418 K6V 0.8916
419 GCO 0.8916
420 ORN 0.8916
421 0JD 0.8916
422 M74 0.8915
423 NTN 0.8914
424 URS 0.8914
425 NCD 0.8913
426 PH3 0.8911
427 DAL DAL 0.8910
428 42J 0.8909
429 9ON 0.8908
430 PIM 0.8908
431 4SD 0.8906
432 KTA 0.8904
433 SS2 0.8904
434 MRZ 0.8903
435 DTL 0.8901
436 L5V 0.8900
437 EYK 0.8899
438 HF2 0.8899
439 BNS 0.8899
440 LNR 0.8899
441 PPT 0.8899
442 ITN 0.8899
443 PO6 0.8898
444 TZE 0.8898
445 M6W 0.8897
446 AEF 0.8896
447 TIH 0.8894
448 YCP 0.8894
449 4FH 0.8892
450 3HG 0.8892
451 AHC 0.8892
452 HPP 0.8892
453 EOL 0.8891
454 HYP 0.8890
455 TYE 0.8890
456 XCZ 0.8889
457 PGH 0.8889
458 URQ 0.8889
459 JZ7 0.8889
460 FBA 0.8888
461 TPO 0.8887
462 L14 0.8886
463 A3M 0.8885
464 AGK 0.8885
465 ONL 0.8885
466 E1P 0.8884
467 PRA 0.8881
468 DPN 0.8880
469 J9Q 0.8880
470 52C 0.8878
471 9R5 0.8878
472 ICT 0.8878
473 FLC 0.8876
474 CWJ 0.8875
475 PEL 0.8875
476 4JL 0.8873
477 HY1 0.8871
478 X09 0.8870
479 B3U 0.8867
480 XIZ 0.8867
481 S8V 0.8866
482 REL 0.8859
483 8K2 0.8858
484 QSC 0.8858
485 KBB 0.8858
486 BNF 0.8858
487 THE 0.8855
488 0MK 0.8855
489 3HP 0.8854
490 LPK 0.8854
491 5WZ 0.8854
492 RBJ 0.8854
493 8EW 0.8854
494 97T 0.8852
495 CEE 0.8852
496 OW7 0.8852
497 4SX 0.8851
498 GYE 0.8850
499 15N 0.8850
500 EN1 0.8850
501 QIC 0.8850
502 CIT 0.8849
503 BDF 0.8849
504 449 0.8848
505 SF9 0.8846
506 JYD 0.8843
507 11S 0.8843
508 OEM 0.8842
509 PSE 0.8841
510 KMT 0.8841
511 ONH 0.8838
512 IHG 0.8837
513 LGT 0.8836
514 VXX 0.8836
515 M44 0.8835
516 DA4 0.8835
517 4XR 0.8835
518 R20 0.8834
519 HL4 0.8834
520 SMV 0.8833
521 OOG 0.8833
522 ADA 0.8832
523 0F9 0.8829
524 MED 0.8829
525 ES9 0.8826
526 HA5 0.8826
527 9X7 0.8826
528 GOO 0.8824
529 S2P 0.8824
530 SC2 0.8824
531 5HY 0.8822
532 23W 0.8821
533 GLY CYS 0.8821
534 DII 0.8820
535 JAE 0.8820
536 9ZE 0.8820
537 KVP 0.8819
538 271 0.8819
539 EDR 0.8817
540 E5X 0.8817
541 R2P 0.8816
542 LNO 0.8816
543 PEA 0.8815
544 SVD 0.8814
545 FBJ 0.8813
546 J0Z 0.8812
547 3MV 0.8809
548 GTK 0.8806
549 2A9 0.8806
550 2EC 0.8805
551 3AL 0.8805
552 CXP 0.8804
553 CMS 0.8804
554 GLF 0.8803
555 8GC 0.8803
556 LT1 0.8803
557 DIR 0.8800
558 5XA 0.8798
559 1P7 0.8798
560 SW7 0.8797
561 9PY 0.8796
562 I38 0.8795
563 SF6 0.8793
564 GGL 0.8792
565 8SZ 0.8790
566 DYT 0.8788
567 FBW 0.8788
568 HIC 0.8787
569 E79 0.8785
570 40F 0.8785
571 AHN 0.8785
572 5MB 0.8784
573 2F6 0.8782
574 6TZ 0.8782
575 H7Y 0.8781
576 TT4 0.8781
577 4LR 0.8780
578 ALE 0.8780
579 XDE 0.8780
580 DER 0.8779
581 9YL 0.8779
582 PRO 0.8776
583 7Q1 0.8776
584 14O 0.8775
585 ISD 0.8773
586 FE DB1 0.8773
587 TMH 0.8772
588 JZ5 0.8772
589 SX1 0.8772
590 R9M 0.8772
591 I2M 0.8771
592 SS1 0.8771
593 M5E 0.8770
594 AC5 0.8770
595 5DI 0.8770
596 4SV 0.8768
597 8EZ 0.8768
598 SAF 0.8767
599 F60 0.8766
600 RSO 0.8764
601 SKG 0.8764
602 URO 0.8764
603 CDV 0.8762
604 AC0 0.8762
605 HBU 0.8762
606 AS3 0.8762
607 E4P 0.8761
608 FX1 0.8758
609 9J3 0.8757
610 N6C 0.8755
611 CCB 0.8752
612 GVM 0.8752
613 MSN 0.8751
614 129 0.8750
615 AH8 0.8749
616 EDG 0.8747
617 IP8 0.8747
618 5H1 0.8746
619 NSG 0.8744
620 3MF 0.8743
621 ONR 0.8740
622 HG3 0.8738
623 YPN 0.8738
624 LTL 0.8736
625 269 0.8734
626 IT2 0.8733
627 R2B 0.8733
628 DHR 0.8731
629 OEG 0.8731
630 FHB 0.8731
631 M58 0.8730
632 4M4 0.8730
633 QUS 0.8730
634 DTT 0.8728
635 R8S 0.8725
636 NNO 0.8725
637 P58 0.8724
638 HJH 0.8723
639 PG3 0.8721
640 5MI 0.8721
641 BHU 0.8718
642 CCE 0.8717
643 8GL 0.8717
644 P22 0.8715
645 6AI 0.8715
646 DEW 0.8714
647 G8M 0.8712
648 EV0 0.8712
649 BRT 0.8711
650 I3E 0.8711
651 JFJ 0.8710
652 FOM 0.8708
653 M3H 0.8706
654 Q9Z 0.8706
655 NGT 0.8705
656 ACA 0.8704
657 DXG 0.8704
658 61M 0.8702
659 GAE 0.8702
660 NMG 0.8701
661 AEH 0.8700
662 VGL 0.8699
663 G2H 0.8698
664 4A3 0.8698
665 R1X 0.8698
666 AG2 0.8698
667 2DR 0.8696
668 1AL 0.8696
669 QBS 0.8695
670 DPF 0.8692
671 PBN 0.8690
672 HGA 0.8686
673 P4B 0.8684
674 5HN 0.8683
675 4ZC 0.8682
676 DAV 0.8680
677 3S5 0.8678
678 B09 0.8672
679 2K4 0.8672
680 TL6 0.8671
681 7WV 0.8670
682 LX1 0.8670
683 3HM 0.8669
684 69O 0.8666
685 RUY 0.8665
686 N3W 0.8663
687 HPN 0.8663
688 SSB 0.8660
689 0A9 0.8660
690 IT9 0.8657
691 FDK 0.8651
692 GTL 0.8650
693 34V 0.8648
694 N2Z 0.8647
695 HHI 0.8646
696 SN4 0.8644
697 HPV 0.8643
698 HTX 0.8643
699 NFM 0.8641
700 791 0.8640
701 DLY 0.8640
702 HSM 0.8639
703 LDU 0.8638
704 6NA 0.8635
705 11C 0.8634
706 TYR 0.8632
707 CYX 0.8630
708 AFS 0.8630
709 DTY 0.8629
710 1AB 0.8628
711 EMZ 0.8627
712 0VT 0.8618
713 M45 0.8617
714 GOJ 0.8615
715 N9J 0.8609
716 PIY 0.8607
717 HZP 0.8605
718 TYC 0.8604
719 4TB 0.8599
720 MCO 0.8597
721 CUW 0.8596
722 FH2 0.8592
723 NGW 0.8591
724 LY0 0.8588
725 VKC 0.8587
726 PFF 0.8587
727 S24 0.8583
728 4JM 0.8583
729 IMR 0.8583
730 M4E 0.8580
731 TP5 0.8570
732 C21 0.8567
733 289 0.8557
734 MES 0.8555
735 GNL 0.8553
736 GOX 0.8549
737 DTU 0.8545
738 VAH 0.8539
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DE6; Ligand: RNS; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1de6.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2GYI HYA 7.51295
2 2GYI HYA 7.51295
Pocket No.: 2; Query (leader) PDB : 1DE6; Ligand: RNS; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 1de6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2GYI HYA 7.51295
2 2GYI HYA 7.51295
3 1XIM XYL 10.687
4 1XIM XYL 10.687
Pocket No.: 3; Query (leader) PDB : 1DE6; Ligand: RNS; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 1de6.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2GYI HYA 7.51295
2 2GYI HYA 7.51295
3 1XIM XYL 10.687
Pocket No.: 4; Query (leader) PDB : 1DE6; Ligand: RNS; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 1de6.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2GYI HYA 7.51295
2 2GYI HYA 7.51295
3 1XIM XYL 10.687
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