Receptor
PDB id Resolution Class Description Source Keywords
4GO7 2 Å EC: 2.7.2.4 THE REGULATORY SUBUNIT OF ASPARTATE KINASE IN COMPLEX WITH T FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: STRUCTURAL VIEW OF THE REGULATORY SUBUNIT OF ASPART KINASE FROM MYCOBACTERIUM TUBERCULOSIS. PROTEIN CELL V. 2 745 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THR X:201;
Valid;
none;
submit data
119.119 C4 H9 N O3 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GO7 2 Å EC: 2.7.2.4 THE REGULATORY SUBUNIT OF ASPARTATE KINASE IN COMPLEX WITH T FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: STRUCTURAL VIEW OF THE REGULATORY SUBUNIT OF ASPART KINASE FROM MYCOBACTERIUM TUBERCULOSIS. PROTEIN CELL V. 2 745 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4GO7 - THR C4 H9 N O3 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 6 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
2 2DT9 - THR C4 H9 N O3 C[C@H]([C@....
3 2DTJ - THR C4 H9 N O3 C[C@H]([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THR; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 THR 1 1
2 ALO 1 1
3 VAL 0.65 0.714286
4 ALA 0.578947 0.789474
5 DAL 0.578947 0.789474
6 SKG 0.565217 0.681818
7 ILE 0.541667 0.6
8 VAH 0.541667 0.76
9 HGY 0.526316 0.625
10 AHB 0.5 0.6
11 AKB 0.434783 0.857143
12 DBB 0.434783 0.625
13 ABA 0.434783 0.625
14 LFC 0.407407 0.619048
Similar Ligands (3D)
Ligand no: 1; Ligand: THR; Similar ligands found: 781
No: Ligand Similarity coefficient
1 LMR 1.0000
2 KIV 0.9980
3 DXX 0.9959
4 2RA 0.9950
5 KG7 0.9949
6 2KT 0.9913
7 03W 0.9895
8 PYR 0.9859
9 SER 0.9831
10 C2N 0.9808
11 DSN 0.9804
12 MAK 0.9790
13 DGY 0.9782
14 OXM 0.9753
15 A3B 0.9750
16 OXL 0.9747
17 CYS 0.9744
18 HIU 0.9732
19 MLA 0.9728
20 3PY 0.9714
21 DCY 0.9712
22 MLI 0.9694
23 DE2 0.9691
24 HBR 0.9690
25 THE 0.9680
26 192 0.9679
27 1AC 0.9656
28 ALQ 0.9655
29 2OP 0.9654
30 OXD 0.9650
31 MB3 0.9643
32 SMB 0.9641
33 23B 0.9616
34 QFH 0.9612
35 DAB 0.9601
36 NVA 0.9600
37 WTZ 0.9591
38 LAC 0.9586
39 AAE 0.9586
40 HSE 0.9585
41 HV2 0.9582
42 IPH 0.9582
43 MAE 0.9580
44 39J 0.9576
45 9TY 0.9574
46 IVA 0.9569
47 HDA 0.9565
48 9X7 0.9560
49 AC5 0.9557
50 HUI 0.9556
51 SSN 0.9555
52 MLM 0.9541
53 SIN 0.9539
54 TFB 0.9529
55 BAL 0.9521
56 HCS 0.9520
57 DCD 0.9509
58 ITN 0.9508
59 MLT 0.9505
60 TEO 0.9505
61 FLA 0.9503
62 3HR 0.9499
63 CEJ 0.9498
64 9YL 0.9497
65 273 0.9490
66 DMG 0.9489
67 MRY 0.9487
68 BUA 0.9487
69 MMZ 0.9484
70 2PC 0.9484
71 PRO 0.9484
72 OAA 0.9482
73 GXV 0.9481
74 GOL 0.9477
75 ITU 0.9475
76 3HL 0.9473
77 TP5 0.9467
78 AOA 0.9467
79 MEU 0.9466
80 FUM 0.9463
81 NVI 0.9462
82 BU4 0.9461
83 NMG 0.9455
84 CMS 0.9453
85 IPU 0.9450
86 GG6 0.9446
87 SMV 0.9438
88 BAQ 0.9437
89 HZP 0.9436
90 A2Q 0.9435
91 HX2 0.9434
92 HY3 0.9432
93 P2D 0.9428
94 DAS 0.9421
95 C5J 0.9420
96 URA 0.9420
97 LEU 0.9419
98 ASN 0.9409
99 ATQ 0.9405
100 JBN 0.9403
101 CHT 0.9401
102 23W 0.9396
103 HBS 0.9386
104 CSS 0.9382
105 IOM 0.9380
106 CRN 0.9380
107 UGC 0.9379
108 GBL 0.9377
109 69O 0.9376
110 ASP 0.9373
111 CYH 0.9373
112 PRS 0.9366
113 T2C 0.9363
114 XLS 0.9362
115 IMR 0.9359
116 BUO 0.9358
117 PAE 0.9350
118 26D 0.9348
119 DTL 0.9348
120 5AC 0.9348
121 NIS 0.9342
122 TAY 0.9342
123 R1X 0.9341
124 R2B 0.9341
125 BUB 0.9335
126 280 0.9333
127 3GR 0.9333
128 JZ3 0.9333
129 PYM 0.9330
130 YCP 0.9329
131 ECE 0.9326
132 HAI 0.9325
133 NXA 0.9324
134 2IM 0.9322
135 ICN 0.9319
136 J1Z 0.9319
137 FOA 0.9318
138 CP 0.9317
139 C21 0.9317
140 ODV 0.9316
141 PLQ 0.9316
142 5FX 0.9316
143 IQ0 0.9310
144 FPY 0.9302
145 YHO 0.9301
146 JYD 0.9297
147 F3V 0.9292
148 BEN 0.9291
149 SAR 0.9287
150 CXL 0.9284
151 TF4 0.9284
152 XUL 0.9281
153 MZ0 0.9281
154 CRS 0.9279
155 HPY 0.9279
156 FW5 0.9279
157 TMZ 0.9278
158 DPR 0.9277
159 HQE 0.9276
160 BAE 0.9274
161 ARB 0.9274
162 HVQ 0.9272
163 FPN 0.9271
164 BVG 0.9269
165 LEA 0.9266
166 4CH 0.9264
167 7EX 0.9264
168 VX 0.9264
169 2MH 0.9263
170 60P 0.9262
171 LER 0.9261
172 POA 0.9260
173 40O 0.9260
174 PPF 0.9260
175 GOA 0.9259
176 ORN 0.9258
177 DA1 0.9258
178 FPI 0.9256
179 GBD 0.9255
180 ABN 0.9253
181 IT2 0.9249
182 PRI 0.9247
183 LDU 0.9246
184 SYN 0.9245
185 265 0.9244
186 ETF 0.9242
187 278 0.9241
188 4JU 0.9241
189 PYC 0.9241
190 RSF 0.9240
191 LG4 0.9238
192 HLT 0.9235
193 PCA 0.9234
194 FAH 0.9234
195 PPI 0.9231
196 3OH 0.9231
197 V1L 0.9231
198 H95 0.9231
199 TAR 0.9230
200 TZC 0.9230
201 BEW 0.9230
202 GAG 0.9229
203 25R 0.9228
204 DUC 0.9228
205 CIZ 0.9228
206 RBL 0.9225
207 8X3 0.9224
208 PXY 0.9224
209 NK 0.9222
210 R8A 0.9222
211 GLY 0.9220
212 FJO 0.9217
213 BVC 0.9217
214 PCR 0.9214
215 25T 0.9210
216 TMT 0.9210
217 COI 0.9209
218 EDG 0.9209
219 SNE 0.9209
220 HBX 0.9208
221 2HA 0.9208
222 SAT 0.9207
223 2CO 0.9206
224 NCA 0.9206
225 TAU 0.9205
226 SAL 0.9203
227 SGL 0.9203
228 4XX 0.9199
229 L60 0.9196
230 4DX 0.9196
231 BE2 0.9193
232 2HE 0.9191
233 4MV 0.9191
234 34V 0.9190
235 MRZ 0.9189
236 3ZQ 0.9189
237 IDH 0.9188
238 NTN 0.9186
239 PCT 0.9186
240 RIP 0.9185
241 9CL 0.9183
242 Z6J 0.9183
243 HYP 0.9182
244 98J 0.9180
245 P7I 0.9179
246 HGQ 0.9178
247 HAE 0.9178
248 APY 0.9177
249 BEZ 0.9177
250 I2M 0.9176
251 1CB 0.9175
252 JZ5 0.9175
253 QDK 0.9174
254 282 0.9174
255 BAM 0.9174
256 OXQ 0.9173
257 MZW 0.9171
258 93B 0.9168
259 EHM 0.9168
260 WBU 0.9167
261 RUU 0.9164
262 TMH 0.9164
263 FCN 0.9162
264 BZI 0.9160
265 BNS 0.9160
266 XPO 0.9159
267 URF 0.9157
268 RP7 0.9155
269 BML 0.9154
270 BMD 0.9153
271 XYP 0.9146
272 HSL 0.9146
273 4AX 0.9146
274 286 0.9145
275 XYS 0.9145
276 ICC 0.9145
277 1SP 0.9145
278 FUL 0.9144
279 2AP 0.9143
280 5Y9 0.9143
281 BTL 0.9141
282 ABU 0.9138
283 6SP 0.9137
284 AMC 0.9137
285 1MR 0.9136
286 HVK 0.9135
287 IDM 0.9134
288 NIE 0.9133
289 VNJ 0.9133
290 284 0.9133
291 51F 0.9133
292 TB6 0.9133
293 1DH 0.9132
294 NIO 0.9130
295 285 0.9129
296 PGA 0.9129
297 XBT 0.9126
298 PZA 0.9125
299 KSW 0.9125
300 D2P 0.9123
301 1DU 0.9122
302 MBN 0.9121
303 UYA 0.9121
304 9PO 0.9120
305 ICF 0.9120
306 SRT 0.9119
307 NBE 0.9116
308 PY7 0.9115
309 7VD 0.9115
310 4AP 0.9115
311 PYJ 0.9115
312 LXC 0.9114
313 PYF 0.9114
314 3AP 0.9113
315 NBZ 0.9113
316 F50 0.9113
317 DCL 0.9110
318 4HS 0.9109
319 LGA 0.9109
320 KPL 0.9108
321 DEN 0.9108
322 1AB 0.9107
323 WOT 0.9107
324 HYN 0.9106
325 IND 0.9105
326 COM 0.9103
327 DTU 0.9102
328 4JN 0.9102
329 DFU 0.9101
330 3U4 0.9101
331 HIO 0.9100
332 CNH 0.9099
333 GLV 0.9099
334 XYL 0.9098
335 RB5 0.9098
336 TZZ 0.9097
337 S0H 0.9097
338 GXE 0.9096
339 6PC 0.9093
340 3SK 0.9091
341 CAQ 0.9091
342 NAK 0.9089
343 QSC 0.9089
344 ROR 0.9089
345 MPD 0.9088
346 SS2 0.9088
347 HRZ 0.9087
348 FUC 0.9082
349 2EZ 0.9080
350 JAB 0.9080
351 JZ1 0.9078
352 PUT 0.9078
353 B24 0.9076
354 8FH 0.9076
355 PAF 0.9075
356 2AS 0.9075
357 VGL 0.9073
358 BXO 0.9073
359 2YU 0.9070
360 1DQ 0.9070
361 SEJ 0.9069
362 XAP 0.9067
363 RIB 0.9066
364 PBC 0.9064
365 UNU 0.9063
366 4CS 0.9062
367 2RH 0.9061
368 BZF 0.9060
369 JZ9 0.9060
370 0TR 0.9056
371 ARA 0.9056
372 KYD 0.9056
373 PBE 0.9055
374 AZF 0.9054
375 E60 0.9054
376 4JP 0.9053
377 HSW 0.9052
378 FCA 0.9051
379 0R1 0.9051
380 LZ1 0.9051
381 IHG 0.9050
382 4HO 0.9048
383 GVH 0.9048
384 FUF 0.9048
385 0R0 0.9047
386 XIX 0.9046
387 3BB 0.9046
388 IOL 0.9046
389 MTG 0.9045
390 O7U 0.9044
391 FUB 0.9043
392 YTB 0.9042
393 HT4 0.9042
394 MPI 0.9042
395 CYT 0.9041
396 TZL 0.9038
397 ZBT 0.9038
398 H3M 0.9038
399 1MC 0.9037
400 8EZ 0.9035
401 MWM 0.9034
402 0MK 0.9033
403 JKE 0.9032
404 PG3 0.9032
405 IP0 0.9031
406 TAN 0.9031
407 1AN 0.9030
408 NEQ 0.9029
409 FMS 0.9028
410 AKR 0.9027
411 ETM 0.9027
412 KMT 0.9027
413 8CL 0.9026
414 MMU 0.9026
415 PYG 0.9026
416 RCO 0.9025
417 1PT 0.9024
418 40E 0.9024
419 LG3 0.9023
420 24T 0.9023
421 0CT 0.9020
422 93Q 0.9020
423 MCT 0.9020
424 MET 0.9020
425 NCM 0.9019
426 TB0 0.9019
427 32O 0.9018
428 HPA 0.9013
429 DMV 0.9013
430 TDR 0.9012
431 AC0 0.9012
432 GIF 0.9011
433 8GF 0.9008
434 M58 0.9006
435 92Z 0.9006
436 4ZE 0.9005
437 OK7 0.9004
438 TLA 0.9004
439 TZE 0.9003
440 2MP 0.9002
441 PEP 0.9001
442 FSG 0.9000
443 AHR 0.8999
444 3SL 0.8999
445 PAV 0.8996
446 DTT 0.8992
447 2A3 0.8991
448 3CH 0.8991
449 9SB 0.8991
450 2DR 0.8990
451 3SY 0.8990
452 TM7 0.8990
453 HSM 0.8989
454 FPK 0.8988
455 34A 0.8987
456 ISU 0.8986
457 DYA 0.8984
458 3MC 0.8983
459 HBA 0.8978
460 7CZ 0.8977
461 4SV 0.8974
462 VSO 0.8973
463 BVF 0.8971
464 TH0 0.8971
465 DTI 0.8971
466 FP2 0.8970
467 XBZ 0.8968
468 LG5 0.8965
469 TTO 0.8965
470 9X6 0.8964
471 FBA 0.8963
472 5MH 0.8961
473 ICP 0.8960
474 PYD 0.8960
475 938 0.8960
476 H76 0.8958
477 4VP 0.8954
478 BUQ 0.8954
479 4SD 0.8954
480 OHG 0.8952
481 BP9 0.8951
482 6X8 0.8951
483 8LG 0.8950
484 1XX 0.8950
485 IFM 0.8950
486 7HP 0.8948
487 FAC 0.8947
488 A1U 0.8946
489 5JC 0.8943
490 2AC 0.8943
491 SS1 0.8943
492 43M 0.8942
493 HHN 0.8942
494 3FA 0.8940
495 GLU 0.8938
496 GMN 0.8936
497 275 0.8936
498 4CL 0.8933
499 DMI 0.8933
500 FFP 0.8933
501 SLP 0.8932
502 FP1 0.8931
503 HTS 0.8930
504 2CH 0.8930
505 LNO 0.8930
506 XYD 0.8929
507 FLM 0.8928
508 HVB 0.8928
509 MBD 0.8927
510 UY7 0.8927
511 MZG 0.8927
512 BE7 0.8926
513 BDR 0.8924
514 L89 0.8922
515 OPE 0.8921
516 6JN 0.8920
517 ES6 0.8920
518 3V4 0.8918
519 JZ0 0.8918
520 2MY 0.8918
521 DPF 0.8917
522 PPR 0.8916
523 AGK 0.8915
524 2C9 0.8914
525 JZ2 0.8913
526 1WD 0.8911
527 5UC 0.8910
528 MSF 0.8909
529 4JJ 0.8908
530 6UA 0.8908
531 OXE 0.8907
532 AMT 0.8904
533 URP 0.8902
534 4JO 0.8902
535 OEM 0.8902
536 6M4 0.8900
537 MED 0.8898
538 CIG 0.8898
539 7WV 0.8896
540 QOS 0.8894
541 54D 0.8894
542 GUA 0.8894
543 EGD 0.8894
544 M6W 0.8893
545 PAH 0.8891
546 76X 0.8890
547 64K 0.8888
548 27Y 0.8888
549 3CL 0.8887
550 BR9 0.8886
551 CP2 0.8883
552 JBE 0.8882
553 OXZ 0.8881
554 NMJ 0.8877
555 ADE 0.8876
556 1LN 0.8871
557 YAN 0.8870
558 KOJ 0.8869
559 4XR 0.8865
560 0V5 0.8864
561 MWJ 0.8864
562 PIH 0.8863
563 PPV 0.8862
564 3CE 0.8861
565 6MH 0.8861
566 2A1 0.8859
567 LRH 0.8858
568 ABE 0.8858
569 2AF 0.8858
570 4H2 0.8855
571 MZY 0.8853
572 HEW 0.8852
573 ETX 0.8851
574 RAM 0.8850
575 URQ 0.8848
576 TFS 0.8847
577 BSX 0.8845
578 TSZ 0.8845
579 SC2 0.8844
580 GLN 0.8840
581 T6C 0.8839
582 8GC 0.8839
583 M3T 0.8839
584 4HA 0.8839
585 2CM 0.8838
586 3MH 0.8836
587 J3K 0.8834
588 9A4 0.8832
589 HGW 0.8831
590 47J 0.8829
591 3MT 0.8828
592 6HQ 0.8826
593 1P3 0.8825
594 2XX 0.8824
595 SPV 0.8823
596 TM4 0.8818
597 1BP 0.8818
598 L3Q 0.8815
599 PHB 0.8815
600 3ZS 0.8814
601 SKJ 0.8813
602 SVJ 0.8813
603 4MZ 0.8812
604 6MP 0.8812
605 2TQ 0.8810
606 3XX 0.8809
607 HY1 0.8809
608 260 0.8804
609 F05 0.8804
610 NPO 0.8802
611 TLD 0.8801
612 PXO 0.8800
613 BHO 0.8800
614 14J 0.8796
615 DUB 0.8793
616 IUR 0.8791
617 B3R 0.8791
618 6AI 0.8791
619 7MH 0.8790
620 261 0.8789
621 XM0 0.8789
622 MSE 0.8787
623 C2A 0.8786
624 FYU 0.8785
625 AUD 0.8785
626 BZX 0.8783
627 1MZ 0.8782
628 9DA 0.8782
629 FAN 0.8781
630 2MZ 0.8778
631 MNM 0.8777
632 9EW 0.8777
633 7WA 0.8776
634 TNE 0.8770
635 ES4 0.8770
636 BP1 0.8768
637 10L 0.8768
638 CFI 0.8767
639 3TR 0.8764
640 Z82 0.8763
641 XXR 0.8762
642 61G 0.8761
643 HOW 0.8760
644 ISZ 0.8760
645 6F0 0.8760
646 HHQ 0.8759
647 LLQ 0.8759
648 9HX 0.8755
649 JZ6 0.8754
650 6CS 0.8753
651 2AI 0.8753
652 4JL 0.8753
653 TH7 0.8752
654 PM6 0.8749
655 POP 0.8749
656 14O 0.8748
657 DFB 0.8748
658 RSO 0.8746
659 MR3 0.8746
660 2CK 0.8742
661 5MB 0.8741
662 MTD 0.8741
663 2PN 0.8740
664 2K4 0.8740
665 13D 0.8740
666 5KX 0.8739
667 ZZT 0.8738
668 13P 0.8737
669 Y8I 0.8737
670 5H1 0.8736
671 2MI 0.8736
672 GLY GLY 0.8735
673 270 0.8734
674 AX7 0.8734
675 JAE 0.8733
676 C2B 0.8733
677 5MI 0.8732
678 13X 0.8729
679 CXF 0.8728
680 F60 0.8728
681 JIF 0.8728
682 DZZ 0.8727
683 QUZ 0.8726
684 BTE 0.8726
685 7A8 0.8726
686 5MP 0.8722
687 MMQ 0.8722
688 XRG 0.8721
689 NSP 0.8721
690 24B 0.8721
691 3AB 0.8721
692 0RW 0.8720
693 SVN 0.8720
694 MLE 0.8714
695 ES9 0.8710
696 MYQ 0.8709
697 IFL 0.8708
698 2LP 0.8708
699 6M9 0.8707
700 1DV 0.8705
701 PEL 0.8704
702 3NT 0.8702
703 BYZ 0.8701
704 11S 0.8699
705 AX2 0.8699
706 EFS 0.8699
707 HMH 0.8698
708 FQI 0.8696
709 RHU 0.8692
710 271 0.8691
711 HMU 0.8691
712 BR8 0.8691
713 1Y8 0.8687
714 WDL 0.8682
715 G6D 0.8682
716 MFB 0.8682
717 ARW 0.8681
718 PTO 0.8680
719 NPY 0.8678
720 RNS 0.8677
721 BRP 0.8676
722 G4D 0.8676
723 PEA 0.8672
724 94N 0.8671
725 PZI 0.8669
726 PYZ 0.8667
727 JZ4 0.8667
728 53C 0.8663
729 PMB 0.8662
730 3AY 0.8661
731 N8P 0.8657
732 ES3 0.8654
733 2BN 0.8654
734 M1A 0.8653
735 H8N 0.8653
736 NOJ 0.8652
737 ABV 0.8648
738 5M0 0.8645
739 RM4 0.8645
740 4PW 0.8638
741 F81 0.8633
742 911 0.8629
743 MAN 0.8626
744 9TZ 0.8623
745 23A 0.8622
746 OVV 0.8618
747 AKG 0.8617
748 8H8 0.8613
749 PIS 0.8611
750 FCB 0.8608
751 CNL 0.8605
752 TIU 0.8604
753 DSS 0.8601
754 SJ5 0.8601
755 PBZ 0.8601
756 AC6 0.8597
757 GRE 0.8596
758 CAE 0.8595
759 ACH 0.8595
760 3Q7 0.8594
761 67N 0.8591
762 SW7 0.8591
763 2ZV 0.8591
764 2ZX 0.8587
765 T9G 0.8583
766 IF7 0.8583
767 MGX 0.8581
768 GAB 0.8580
769 7WG 0.8580
770 FBV 0.8578
771 CAM 0.8572
772 HX3 0.8568
773 GLC 0.8567
774 NIZ 0.8566
775 MXN 0.8561
776 NHY 0.8547
777 ATO 0.8544
778 5NU 0.8542
779 5HN 0.8540
780 6M1 0.8520
781 3BZ 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GO7; Ligand: THR; 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: 4go7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4GO7; Ligand: THR; 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: 4go7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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