Receptor
PDB id Resolution Class Description Source Keywords
5H1W 1.63 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HYPERTHERMOPHILIC THERMOTOGA MARITIMA L EPIMERASE WITH MN2+ AND L(+)-ERYTHRULOSE THERMOTOGA MARITIMA MSB8 EPIMERASE MN2+ HYPERTHERMOPHILIC EUBACTERIUM ISOMERASE ERYTHRULOSE
Ref.: TM0416, A HYPERTHERMOPHILIC PROMISCUOUS NONPHOSPHOR SUGAR ISOMERASE, CATALYZES VARIOUS C5AND C6EPIMERIZ REACTIONS APPL. ENVIRON. MICROBIOL. V. 83 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN B:302;
A:302;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
1PE B:303;
A:304;
A:303;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
238.278 C10 H22 O6 C(COC...
LER A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
120.104 C4 H8 O4 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H1W 1.63 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HYPERTHERMOPHILIC THERMOTOGA MARITIMA L EPIMERASE WITH MN2+ AND L(+)-ERYTHRULOSE THERMOTOGA MARITIMA MSB8 EPIMERASE MN2+ HYPERTHERMOPHILIC EUBACTERIUM ISOMERASE ERYTHRULOSE
Ref.: TM0416, A HYPERTHERMOPHILIC PROMISCUOUS NONPHOSPHOR SUGAR ISOMERASE, CATALYZES VARIOUS C5AND C6EPIMERIZ REACTIONS APPL. ENVIRON. MICROBIOL. V. 83 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5H1W - LER C4 H8 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 1331 families.
1 5H1W - LER C4 H8 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 1144 families.
1 5H1W - LER C4 H8 O4 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LER; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LER 1 1
2 DGY 0.52381 0.833333
3 DE2 0.5 0.68
4 RBL 0.461538 0.916667
5 XUL 0.461538 0.916667
6 QDK 0.461538 0.916667
7 SDD 0.413793 0.956522
8 TAG 0.413793 0.956522
9 PSJ 0.413793 0.956522
10 FUD 0.413793 0.956522
11 LPK 0.413793 0.956522
12 SOL 0.413793 0.956522
Similar Ligands (3D)
Ligand no: 1; Ligand: LER; Similar ligands found: 692
No: Ligand Similarity coefficient
1 DTL 0.9943
2 MRY 0.9931
3 23W 0.9804
4 FW5 0.9677
5 DTU 0.9668
6 DTT 0.9644
7 SER 0.9628
8 2KT 0.9598
9 HUI 0.9578
10 CYS 0.9576
11 1SP 0.9565
12 3PY 0.9564
13 03W 0.9555
14 DSN 0.9551
15 MLI 0.9545
16 ILE 0.9545
17 KG7 0.9541
18 BAE 0.9512
19 ODV 0.9489
20 DBB 0.9488
21 DXX 0.9485
22 TAR 0.9476
23 MLA 0.9474
24 2RA 0.9465
25 C2N 0.9448
26 MLM 0.9447
27 ZBT 0.9447
28 FPI 0.9442
29 HDA 0.9441
30 EDG 0.9441
31 ABA 0.9434
32 BML 0.9433
33 4CH 0.9425
34 M6W 0.9423
35 SMB 0.9421
36 2MH 0.9412
37 1AC 0.9400
38 URF 0.9394
39 URA 0.9390
40 OHG 0.9389
41 SYN 0.9387
42 CRS 0.9385
43 HBA 0.9385
44 DCY 0.9383
45 A3B 0.9375
46 P2D 0.9374
47 R1X 0.9373
48 HBX 0.9371
49 9X7 0.9366
50 TZL 0.9365
51 HV2 0.9364
52 DCD 0.9363
53 C5J 0.9362
54 HIU 0.9356
55 RP7 0.9355
56 39J 0.9355
57 VAL 0.9353
58 IXW 0.9350
59 IHG 0.9350
60 RSF 0.9349
61 R2B 0.9348
62 HGQ 0.9347
63 4SD 0.9346
64 284 0.9345
65 4JU 0.9345
66 BP9 0.9342
67 26D 0.9342
68 AMC 0.9341
69 KIV 0.9340
70 ABN 0.9338
71 DUC 0.9336
72 SMV 0.9332
73 WBU 0.9331
74 HPY 0.9326
75 VAH 0.9323
76 MZW 0.9323
77 MB3 0.9322
78 AAE 0.9322
79 2OP 0.9319
80 2PC 0.9310
81 JZ3 0.9307
82 KSW 0.9300
83 PRO 0.9292
84 40O 0.9290
85 9YL 0.9289
86 51F 0.9289
87 PRI 0.9286
88 MMZ 0.9285
89 DMV 0.9284
90 NEQ 0.9283
91 CEJ 0.9280
92 PAE 0.9280
93 APY 0.9280
94 FPY 0.9279
95 3HR 0.9278
96 THE 0.9278
97 TZZ 0.9278
98 YHO 0.9275
99 JBN 0.9274
100 BUA 0.9274
101 PYJ 0.9273
102 LDU 0.9272
103 LAC 0.9272
104 1AB 0.9272
105 PYR 0.9271
106 SGL 0.9270
107 IPH 0.9267
108 ALA 0.9267
109 SSN 0.9266
110 SRT 0.9265
111 282 0.9264
112 HSE 0.9262
113 THR 0.9261
114 ITU 0.9259
115 CXL 0.9258
116 B24 0.9256
117 MAE 0.9254
118 CP 0.9252
119 BVC 0.9252
120 MLT 0.9251
121 IDH 0.9249
122 DAS 0.9248
123 H3M 0.9246
124 ASP 0.9245
125 IMR 0.9245
126 192 0.9242
127 DMG 0.9241
128 TFB 0.9240
129 NVI 0.9240
130 HSM 0.9239
131 1MR 0.9237
132 8X3 0.9237
133 SIN 0.9237
134 YIV 0.9236
135 OXM 0.9235
136 TP5 0.9234
137 CYH 0.9229
138 FUB 0.9228
139 CHT 0.9228
140 TLA 0.9228
141 OXL 0.9221
142 AHR 0.9220
143 URQ 0.9220
144 MAK 0.9219
145 PAF 0.9216
146 GLU 0.9216
147 FJO 0.9215
148 CMS 0.9210
149 2DR 0.9208
150 NBE 0.9207
151 PYG 0.9204
152 AKB 0.9201
153 1XX 0.9200
154 AOA 0.9198
155 FOA 0.9197
156 DAL 0.9196
157 BEW 0.9195
158 7EX 0.9195
159 3OH 0.9195
160 ASN 0.9193
161 COM 0.9193
162 3ZQ 0.9193
163 HVQ 0.9190
164 IFM 0.9189
165 KPL 0.9186
166 TAU 0.9186
167 HCS 0.9186
168 CIZ 0.9185
169 RB5 0.9183
170 XBT 0.9182
171 3HL 0.9181
172 1DU 0.9181
173 2IM 0.9180
174 DAB 0.9178
175 PUT 0.9177
176 HBR 0.9176
177 OXD 0.9176
178 ALQ 0.9176
179 CAQ 0.9175
180 280 0.9174
181 PRS 0.9174
182 IOM 0.9172
183 HSL 0.9172
184 BAL 0.9170
185 GLY ALA 0.9168
186 PCA 0.9166
187 0R0 0.9163
188 DCL 0.9162
189 286 0.9162
190 V1L 0.9160
191 60P 0.9157
192 NAK 0.9156
193 HBS 0.9156
194 HZP 0.9156
195 PYF 0.9155
196 BUO 0.9154
197 ROR 0.9153
198 273 0.9152
199 TAY 0.9151
200 2HE 0.9151
201 ETM 0.9150
202 HIO 0.9146
203 IVA 0.9146
204 ALO 0.9144
205 S0H 0.9143
206 5FX 0.9142
207 NVA 0.9140
208 ETX 0.9140
209 98J 0.9139
210 XPO 0.9138
211 2XX 0.9136
212 BU4 0.9136
213 MZ0 0.9135
214 MPD 0.9135
215 3SY 0.9133
216 LG5 0.9132
217 PGA 0.9132
218 40E 0.9130
219 SAR 0.9130
220 RCO 0.9129
221 285 0.9128
222 BVG 0.9128
223 MET 0.9128
224 TB6 0.9127
225 NK 0.9126
226 OAA 0.9125
227 UGC 0.9122
228 COI 0.9119
229 69O 0.9118
230 BVF 0.9117
231 2RH 0.9117
232 TEO 0.9116
233 JZ5 0.9116
234 4DX 0.9113
235 P7I 0.9113
236 POA 0.9111
237 IQ0 0.9111
238 HAI 0.9110
239 CRN 0.9107
240 BEN 0.9106
241 LMR 0.9106
242 9CL 0.9104
243 HGY 0.9104
244 PYC 0.9103
245 4MV 0.9102
246 LEU 0.9100
247 PPF 0.9100
248 54D 0.9098
249 HY3 0.9097
250 TZC 0.9097
251 32O 0.9097
252 4XX 0.9096
253 EFS 0.9096
254 FBJ 0.9096
255 ECE 0.9096
256 C21 0.9096
257 FUM 0.9094
258 TZE 0.9093
259 BMD 0.9092
260 NMG 0.9092
261 7VD 0.9091
262 3CH 0.9088
263 R8A 0.9087
264 3Z7 0.9086
265 4AX 0.9086
266 8GF 0.9085
267 XAP 0.9084
268 FCN 0.9084
269 LG3 0.9081
270 NIS 0.9079
271 GAG 0.9078
272 LG4 0.9076
273 A2Q 0.9076
274 RIB 0.9075
275 3BB 0.9074
276 NIO 0.9074
277 7WG 0.9072
278 BEZ 0.9072
279 NBN 0.9069
280 XLS 0.9068
281 4HA 0.9068
282 FLA 0.9068
283 24T 0.9066
284 RSO 0.9065
285 PY7 0.9063
286 PE9 0.9062
287 CYT 0.9061
288 ABU 0.9061
289 AC5 0.9059
290 BAM 0.9059
291 93B 0.9058
292 C2A 0.9057
293 O8Y 0.9054
294 14J 0.9052
295 1DQ 0.9051
296 GG6 0.9049
297 25T 0.9049
298 BUB 0.9049
299 3XX 0.9049
300 HEW 0.9047
301 NBZ 0.9046
302 FPK 0.9045
303 GLY GLY 0.9044
304 25R 0.9042
305 6PC 0.9042
306 XYP 0.9040
307 NCA 0.9038
308 2EZ 0.9038
309 4H2 0.9038
310 CIG 0.9038
311 M3T 0.9037
312 OKG 0.9036
313 TMH 0.9035
314 IPU 0.9035
315 9X6 0.9033
316 1DH 0.9033
317 UY7 0.9032
318 MRZ 0.9032
319 PXY 0.9032
320 MEU 0.9031
321 HYA 0.9030
322 1PT 0.9029
323 AL0 0.9028
324 3GR 0.9028
325 4HS 0.9028
326 RUU 0.9027
327 AGK 0.9026
328 I2M 0.9024
329 MUC 0.9024
330 GOL 0.9023
331 PCR 0.9022
332 IDM 0.9022
333 B3R 0.9022
334 JYD 0.9020
335 JZ1 0.9020
336 HPA 0.9020
337 EHM 0.9019
338 CSS 0.9019
339 4HO 0.9019
340 BXO 0.9019
341 TF4 0.9018
342 261 0.9018
343 GXV 0.9015
344 DPR 0.9014
345 ICN 0.9014
346 SS2 0.9014
347 VGL 0.9012
348 GXE 0.9012
349 BHO 0.9011
350 PZA 0.9010
351 PBC 0.9010
352 HYP 0.9009
353 OVV 0.9008
354 NXA 0.9006
355 ADE 0.9005
356 SAL 0.9003
357 PLQ 0.9001
358 HQE 0.9000
359 XYS 0.9000
360 AML 0.9000
361 MCT 0.8997
362 TMZ 0.8997
363 MTG 0.8997
364 OPE 0.8996
365 GBD 0.8996
366 GAB 0.8996
367 AKG 0.8995
368 2CO 0.8995
369 NTN 0.8994
370 O7U 0.8992
371 BTL 0.8989
372 CXF 0.8989
373 HLT 0.8987
374 4XR 0.8986
375 265 0.8986
376 2AP 0.8985
377 LEA 0.8984
378 76X 0.8984
379 TMT 0.8983
380 4ZE 0.8983
381 4CS 0.8982
382 YCP 0.8981
383 CFI 0.8981
384 HX2 0.8980
385 FPN 0.8978
386 FP2 0.8978
387 3AP 0.8977
388 T2C 0.8977
389 2HA 0.8976
390 FAN 0.8976
391 ITN 0.8975
392 XYL 0.8974
393 L60 0.8972
394 ARB 0.8972
395 OXQ 0.8971
396 DA1 0.8971
397 HVK 0.8970
398 ICC 0.8969
399 4JJ 0.8969
400 BZX 0.8969
401 BE2 0.8968
402 EGD 0.8968
403 MWM 0.8967
404 GIF 0.8967
405 ICP 0.8965
406 PYD 0.8965
407 A1U 0.8964
408 MBN 0.8964
409 RB0 0.8964
410 MZG 0.8963
411 2AS 0.8963
412 HY1 0.8959
413 J1Z 0.8959
414 2AC 0.8958
415 1MC 0.8958
416 1AN 0.8958
417 SAT 0.8957
418 FEH 0.8957
419 ISZ 0.8957
420 3BZ 0.8956
421 4JN 0.8955
422 3HB 0.8955
423 OXE 0.8955
424 2CH 0.8954
425 3FA 0.8954
426 4CL 0.8953
427 YTB 0.8952
428 BR9 0.8952
429 3AB 0.8951
430 DGL 0.8950
431 LGA 0.8948
432 8LG 0.8948
433 1LN 0.8947
434 HHN 0.8947
435 275 0.8947
436 8CL 0.8946
437 WOT 0.8944
438 L89 0.8944
439 TDR 0.8943
440 4AP 0.8942
441 HYN 0.8941
442 KOJ 0.8941
443 XBZ 0.8940
444 2YU 0.8938
445 TH0 0.8938
446 XYD 0.8936
447 MWJ 0.8936
448 UNU 0.8936
449 7HP 0.8935
450 HRZ 0.8934
451 92Z 0.8933
452 F05 0.8933
453 DPF 0.8932
454 QSC 0.8930
455 5AC 0.8929
456 HHQ 0.8929
457 QFH 0.8928
458 93Q 0.8927
459 MXN 0.8925
460 FFP 0.8925
461 278 0.8924
462 ORN 0.8924
463 9PO 0.8924
464 RNT 0.8924
465 Z6J 0.8923
466 SLP 0.8923
467 2AF 0.8922
468 27Y 0.8921
469 HTS 0.8921
470 ARA 0.8920
471 DZZ 0.8920
472 2C9 0.8919
473 UYA 0.8919
474 NCM 0.8917
475 PCT 0.8916
476 6M4 0.8915
477 BAQ 0.8914
478 TM7 0.8914
479 5UC 0.8913
480 MSE 0.8913
481 VX 0.8913
482 URP 0.8913
483 MBD 0.8912
484 2MP 0.8912
485 MED 0.8911
486 53C 0.8911
487 34A 0.8910
488 5MH 0.8910
489 JZ2 0.8908
490 JZ9 0.8907
491 FLM 0.8907
492 ABE 0.8903
493 PG0 0.8901
494 SS1 0.8899
495 6HQ 0.8899
496 BDR 0.8899
497 FP1 0.8898
498 0MK 0.8897
499 LNO 0.8897
500 23B 0.8893
501 3NT 0.8893
502 6X8 0.8892
503 8EZ 0.8892
504 TTO 0.8892
505 NLE 0.8889
506 3MC 0.8889
507 5JC 0.8887
508 RIP 0.8887
509 ATQ 0.8884
510 6LW 0.8884
511 ONL 0.8884
512 RNS 0.8881
513 3U4 0.8880
514 BNS 0.8878
515 5Y9 0.8876
516 GMN 0.8874
517 43M 0.8869
518 9TY 0.8869
519 H76 0.8868
520 9J3 0.8867
521 JZ0 0.8866
522 H95 0.8866
523 XM0 0.8866
524 GLN 0.8865
525 RM1 0.8862
526 HT4 0.8858
527 HGW 0.8857
528 PIH 0.8856
529 PEP 0.8854
530 2MY 0.8853
531 2CM 0.8852
532 XIX 0.8852
533 1P3 0.8851
534 938 0.8851
535 HX3 0.8849
536 KMT 0.8848
537 GBL 0.8841
538 JAB 0.8841
539 SD4 0.8839
540 PAH 0.8839
541 MD0 0.8836
542 VNJ 0.8831
543 AZF 0.8831
544 GLY CYS 0.8830
545 WTZ 0.8826
546 3CE 0.8826
547 8GC 0.8824
548 4JO 0.8820
549 1CB 0.8818
550 DUB 0.8817
551 3SL 0.8815
552 DIG 0.8814
553 PAV 0.8812
554 6MH 0.8809
555 Y8I 0.8804
556 FUC 0.8803
557 L3Q 0.8803
558 3MH 0.8803
559 BZF 0.8802
560 MZY 0.8799
561 DEN 0.8799
562 6SP 0.8798
563 FMS 0.8798
564 M58 0.8798
565 1KA 0.8797
566 D2P 0.8796
567 6JN 0.8795
568 GUA 0.8794
569 PYM 0.8793
570 OXZ 0.8792
571 HTX 0.8792
572 GRO 0.8792
573 OEM 0.8791
574 3OC 0.8791
575 PG3 0.8787
576 AHB 0.8785
577 GGL 0.8785
578 FOC 0.8785
579 0TR 0.8777
580 SKJ 0.8776
581 ICF 0.8776
582 I1E 0.8775
583 PBE 0.8775
584 BZI 0.8772
585 IUR 0.8771
586 N7P 0.8771
587 2TQ 0.8771
588 DFU 0.8770
589 1DV 0.8770
590 49F 0.8769
591 TLD 0.8769
592 TNE 0.8766
593 IND 0.8764
594 47J 0.8759
595 AMT 0.8757
596 JZ7 0.8757
597 9SB 0.8754
598 GVH 0.8753
599 FUF 0.8753
600 TFS 0.8751
601 0R1 0.8749
602 YAN 0.8749
603 BHH 0.8748
604 MEV 0.8744
605 LZ1 0.8743
606 IT2 0.8743
607 DTI 0.8742
608 PPR 0.8742
609 1CO 0.8741
610 G3P 0.8740
611 FUL 0.8740
612 7CZ 0.8740
613 BYZ 0.8740
614 1DW 0.8737
615 M2H 0.8736
616 AX2 0.8734
617 3MT 0.8733
618 PEQ 0.8733
619 DMI 0.8731
620 4MZ 0.8727
621 BUQ 0.8723
622 DPJ 0.8723
623 WCE 0.8723
624 13X 0.8722
625 AG2 0.8722
626 0OC 0.8720
627 4ZC 0.8719
628 PMB 0.8714
629 TM4 0.8712
630 MPI 0.8712
631 0V5 0.8710
632 2EH 0.8709
633 0CT 0.8708
634 R8S 0.8706
635 2MZ 0.8696
636 6NA 0.8695
637 LLQ 0.8695
638 AC0 0.8694
639 64K 0.8689
640 3TR 0.8687
641 PSV 0.8679
642 5ZE 0.8678
643 PPV 0.8676
644 34V 0.8673
645 6CS 0.8672
646 GOJ 0.8670
647 PYZ 0.8669
648 8EW 0.8667
649 DSS 0.8665
650 4JP 0.8665
651 SKG 0.8665
652 ABV 0.8664
653 RJY 0.8656
654 23A 0.8652
655 9EW 0.8650
656 SEJ 0.8650
657 GOO 0.8646
658 9HX 0.8645
659 9DA 0.8644
660 F0J 0.8644
661 IF7 0.8642
662 SPV 0.8639
663 BE7 0.8638
664 DYA 0.8637
665 2A7 0.8635
666 AX7 0.8634
667 10L 0.8632
668 P3K 0.8629
669 7WA 0.8628
670 VKC 0.8625
671 FB2 0.8623
672 2FT 0.8622
673 270 0.8619
674 2ZX 0.8617
675 SC2 0.8613
676 BP1 0.8609
677 PM6 0.8604
678 6MP 0.8602
679 IFL 0.8599
680 6M9 0.8597
681 G3H 0.8592
682 2MI 0.8585
683 0RW 0.8584
684 1SA 0.8576
685 5H1 0.8568
686 AUD 0.8565
687 6AI 0.8565
688 P92 0.8557
689 5HN 0.8557
690 FRU 0.8554
691 2PN 0.8540
692 5MB 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5H1W; Ligand: LER; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 5h1w.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2HK1 FUD 18.9655
2 2HK1 FUD 18.9655
3 2HK1 FUD 18.9655
4 2HK1 FUD 18.9655
5 2QUN FUD 39.3103
6 2QUN FUD 39.3103
7 3VNM SDD 42.4138
8 3VNM SDD 42.4138
9 3VNM SDD 42.4138
10 3VNM SDD 42.4138
Pocket No.: 2; Query (leader) PDB : 5H1W; Ligand: LER; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 5h1w.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2HK1 FUD 18.9655
2 3VNM SDD 42.4138
3 3VNM SDD 42.4138
4 3VNM SDD 42.4138
5 3VNM SDD 42.4138
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