Receptor
PDB id Resolution Class Description Source Keywords
5TK3 1.83 Å EC: 4.1.2.13 CRYSTAL STRUCTURE OF FBP ALDOLASE FROM TOXOPLASMA GONDII, BU TERNARY COMPLEX TOXOPLASMA GONDII TIM BARREL ALDOLASE GLYCOLYSIS LYASE SUBSTRATE INTERMEDENAMINE COVALENT
Ref.: ISOMER ACTIVATION CONTROLS STEREOSPECIFICITY OF CLA FRUCTOSE-1,6-BISPHOSPHATE ALDOLASES. J. BIOL. CHEM. V. 292 19849 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:401;
Invalid;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
GOL A:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
G3H A:402;
Valid;
none;
submit data
170.058 C3 H7 O6 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TKL 1.75 Å EC: 4.1.2.13 CRYSTAL STRUCTURE OF FBP ALDOLASE FROM TOXOPLASMA GONDII, CO INTERMEDIATE TOXOPLASMA GONDII TIM BARREL ALDOLASE GLYCOLYSIS LYASE SUBSTRATE INTERMEDENAMINE COVALENT SCHIFF BASE
Ref.: ISOMER ACTIVATION CONTROLS STEREOSPECIFICITY OF CLA FRUCTOSE-1,6-BISPHOSPHATE ALDOLASES. J. BIOL. CHEM. V. 292 19849 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5TKC - G3H C3 H7 O6 P C([C@H](C=....
2 5TK3 - G3H C3 H7 O6 P C([C@H](C=....
3 5TKL - G3H C3 H7 O6 P C([C@H](C=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5TKC - G3H C3 H7 O6 P C([C@H](C=....
2 5TK3 - G3H C3 H7 O6 P C([C@H](C=....
3 5TKL - G3H C3 H7 O6 P C([C@H](C=....
4 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5TKC - G3H C3 H7 O6 P C([C@H](C=....
2 5TK3 - G3H C3 H7 O6 P C([C@H](C=....
3 5TKL - G3H C3 H7 O6 P C([C@H](C=....
4 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
5 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
6 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
7 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
8 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
9 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
10 1FDJ - 2FP C6 H14 O12 P2 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G3H; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 G3H 1 1
2 E4P 0.515152 0.967742
3 R52 0.459459 0.909091
4 R5P 0.459459 0.909091
5 HG3 0.451613 0.875
6 G3P 0.4375 0.848485
7 1GP 0.4375 0.848485
8 G6Q 0.435897 0.909091
9 M2P 0.424242 0.852941
10 GOS 0.424242 0.852941
11 PSE 0.411765 0.625
12 3PG 0.411765 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: G3H; Similar ligands found: 664
No: Ligand Similarity coefficient
1 13P 1.0000
2 PGH 0.9948
3 GP9 0.9895
4 LTL 0.9862
5 129 0.9790
6 CYX 0.9713
7 PGA 0.9666
8 X1S 0.9663
9 CCE 0.9602
10 ACH 0.9591
11 SEP 0.9587
12 1SH 0.9549
13 LLQ 0.9523
14 1SA 0.9523
15 HPV 0.9517
16 4LR 0.9516
17 CHH 0.9503
18 3PP 0.9495
19 GPJ 0.9481
20 GLU 0.9470
21 CCD 0.9468
22 PMB 0.9466
23 OSE 0.9450
24 9GB 0.9450
25 PEP 0.9443
26 NM3 0.9438
27 PAH 0.9433
28 FB2 0.9426
29 GPF 0.9421
30 AT3 0.9408
31 SPV 0.9408
32 G2H 0.9397
33 KVV 0.9387
34 QMP 0.9386
35 GLY GLY 0.9379
36 3S5 0.9361
37 PIS 0.9348
38 8K2 0.9338
39 PMF 0.9333
40 IP8 0.9332
41 NF3 0.9329
42 7OD 0.9324
43 DIR 0.9308
44 OKG 0.9302
45 PPR 0.9298
46 AKG 0.9292
47 FUM 0.9292
48 B85 0.9287
49 DS0 0.9281
50 SYC 0.9278
51 GZ3 0.9277
52 XCZ 0.9270
53 3SL 0.9269
54 MEQ 0.9269
55 PEQ 0.9264
56 0V5 0.9263
57 9J3 0.9261
58 OGA 0.9261
59 152 0.9260
60 FBW 0.9259
61 GWM 0.9255
62 HBU 0.9252
63 FB1 0.9251
64 1X4 0.9250
65 SS2 0.9248
66 7VD 0.9246
67 6PC 0.9246
68 RTK 0.9243
69 SIN 0.9243
70 GVM 0.9242
71 2PG 0.9241
72 FBV 0.9241
73 HMS 0.9240
74 LMR 0.9239
75 3OC 0.9239
76 FOM 0.9236
77 DQY 0.9232
78 7BC 0.9228
79 0VT 0.9228
80 GLN 0.9213
81 BHH 0.9211
82 RB5 0.9209
83 RB0 0.9209
84 XYL 0.9209
85 DGL 0.9208
86 MJ2 0.9206
87 SRT 0.9205
88 MDN 0.9204
89 OPE 0.9202
90 PLU 0.9197
91 ZGL 0.9196
92 URP 0.9196
93 FCR 0.9193
94 MSL 0.9191
95 PC 0.9191
96 PPV 0.9190
97 LUQ 0.9189
98 BAM 0.9189
99 TLA 0.9187
100 FSG 0.9186
101 HPS 0.9185
102 2HG 0.9184
103 DHM 0.9183
104 1DQ 0.9182
105 XUL 0.9178
106 CP 0.9178
107 51R 0.9177
108 BEZ 0.9176
109 TSU 0.9174
110 KMH 0.9173
111 3OM 0.9171
112 S2G 0.9168
113 KVP 0.9167
114 PAE 0.9165
115 4MV 0.9164
116 EOU 0.9162
117 DGN 0.9162
118 HSO 0.9158
119 N6C 0.9157
120 XM0 0.9156
121 NCA 0.9156
122 CRN 0.9153
123 OEG 0.9150
124 BEN 0.9150
125 MES 0.9148
126 DE5 0.9142
127 NIO 0.9142
128 2IT 0.9141
129 GGL 0.9141
130 7N0 0.9141
131 SHV 0.9140
132 QDK 0.9140
133 ROR 0.9138
134 MUC 0.9136
135 3YP 0.9136
136 SHF 0.9136
137 H95 0.9135
138 OAA 0.9135
139 BNS 0.9135
140 MPD 0.9133
141 Q07 0.9133
142 1DV 0.9132
143 HPN 0.9130
144 AL0 0.9129
145 MHN 0.9127
146 A20 0.9123
147 MAE 0.9122
148 2PN 0.9119
149 HX2 0.9118
150 HL5 0.9113
151 XLS 0.9112
152 R9M 0.9107
153 FOC 0.9106
154 FBS 0.9106
155 A09 0.9106
156 PZI 0.9102
157 5XA 0.9102
158 URO 0.9100
159 URQ 0.9099
160 4J8 0.9099
161 ICF 0.9097
162 RNS 0.9092
163 BZX 0.9091
164 POP 0.9091
165 SPA 0.9088
166 SD4 0.9085
167 GUA 0.9085
168 SAN 0.9084
169 AAS 0.9083
170 MLT 0.9080
171 AG2 0.9078
172 CFI 0.9077
173 RHU 0.9076
174 3OL 0.9074
175 9X6 0.9073
176 GAB 0.9073
177 S0H 0.9072
178 RNT 0.9071
179 RBL 0.9068
180 3HB 0.9068
181 NLP 0.9065
182 LEU 0.9065
183 PBC 0.9065
184 AMS 0.9062
185 K6H 0.9061
186 OK7 0.9060
187 RUJ 0.9060
188 PCT 0.9059
189 HCI 0.9058
190 DYT 0.9055
191 Q03 0.9053
192 R67 0.9052
193 HGA 0.9051
194 P22 0.9047
195 ASP 0.9046
196 FQI 0.9045
197 O45 0.9044
198 98J 0.9044
199 449 0.9042
200 6NA 0.9041
201 AOS 0.9041
202 TB6 0.9041
203 ACA 0.9040
204 SS1 0.9039
205 COI 0.9038
206 J9N 0.9036
207 HIS 0.9036
208 3LR 0.9036
209 DLY 0.9035
210 NSB 0.9035
211 3FH 0.9034
212 YCP 0.9028
213 XIZ 0.9026
214 IXW 0.9026
215 3QM 0.9025
216 KPC 0.9024
217 HDA 0.9023
218 BHO 0.9023
219 HYA 0.9023
220 PAC 0.9022
221 OVV 0.9021
222 11C 0.9020
223 SMN 0.9019
224 TIH 0.9019
225 9ON 0.9019
226 LYS 0.9018
227 NM2 0.9018
228 IFP 0.9018
229 SYM 0.9016
230 3HG 0.9015
231 A13 0.9013
232 LYN 0.9012
233 S8V 0.9011
234 B3U 0.9011
235 3NT 0.9009
236 MXN 0.9009
237 QY9 0.9009
238 GLO 0.9006
239 M4S 0.9003
240 PG0 0.9001
241 HTX 0.8999
242 0L1 0.8999
243 2FT 0.8998
244 GJZ 0.8998
245 MHO 0.8995
246 ONL 0.8994
247 MZT 0.8994
248 TPO 0.8994
249 K5W 0.8993
250 R2P 0.8993
251 RSO 0.8992
252 HHI 0.8988
253 FYU 0.8988
254 7WG 0.8986
255 AC6 0.8985
256 IZC 0.8983
257 7A8 0.8983
258 173 0.8983
259 EDR 0.8982
260 3HP 0.8980
261 LNO 0.8979
262 EHM 0.8979
263 EKZ 0.8977
264 40E 0.8976
265 THE 0.8976
266 HIO 0.8975
267 0OC 0.8974
268 NMJ 0.8974
269 K7M 0.8972
270 SHO 0.8972
271 TEO 0.8971
272 NPO 0.8971
273 FCN 0.8970
274 3AB 0.8970
275 FBJ 0.8970
276 GLY ALA 0.8969
277 2RH 0.8967
278 GG6 0.8964
279 MNN 0.8963
280 TAR 0.8963
281 HBA 0.8962
282 ISZ 0.8961
283 K6V 0.8958
284 SME 0.8958
285 54D 0.8956
286 CCU 0.8956
287 NMG 0.8956
288 6JN 0.8955
289 9RW 0.8955
290 QSC 0.8955
291 DPN 0.8954
292 SOR 0.8953
293 VKC 0.8953
294 MPH 0.8953
295 PRO 0.8953
296 KDG 0.8952
297 Q9Z 0.8952
298 ASN 0.8951
299 DAV 0.8950
300 DYA 0.8947
301 IOM 0.8946
302 6M4 0.8945
303 4NG 0.8945
304 AMH 0.8945
305 DAR 0.8945
306 HF2 0.8944
307 XRG 0.8944
308 5XB 0.8941
309 RAT 0.8938
310 UN1 0.8938
311 RMN 0.8936
312 PCA 0.8936
313 TZL 0.8935
314 DZA 0.8933
315 7C3 0.8932
316 717 0.8930
317 RJY 0.8930
318 PHB 0.8927
319 NLE 0.8927
320 M45 0.8925
321 DMV 0.8924
322 8GL 0.8924
323 PG3 0.8921
324 JYD 0.8921
325 TYL 0.8921
326 DAS 0.8920
327 X0V 0.8919
328 AFS 0.8918
329 ALA ALA 0.8918
330 HIC 0.8917
331 2CO 0.8916
332 LPK 0.8915
333 PO6 0.8915
334 DHI 0.8915
335 HHH 0.8914
336 DHR 0.8914
337 4CS 0.8913
338 CXF 0.8911
339 PSJ 0.8911
340 650 0.8906
341 53C 0.8905
342 PHU 0.8904
343 3BZ 0.8903
344 TIU 0.8902
345 1DJ 0.8901
346 MTL 0.8900
347 CMS 0.8900
348 TPA 0.8899
349 J9T 0.8899
350 5OY 0.8897
351 KTA 0.8896
352 5OB 0.8896
353 XSP 0.8894
354 ASO 0.8893
355 DAL DAL 0.8891
356 3BU 0.8888
357 SOL 0.8888
358 PHE 0.8887
359 TAG 0.8887
360 I38 0.8887
361 49F 0.8887
362 16D 0.8886
363 AHB 0.8886
364 HFA 0.8883
365 Q02 0.8881
366 2AS 0.8880
367 DA4 0.8880
368 UYA 0.8880
369 FK8 0.8879
370 ES2 0.8877
371 FEH 0.8876
372 BZ3 0.8876
373 4SX 0.8875
374 GOJ 0.8875
375 NSD 0.8873
376 2BG 0.8872
377 B40 0.8871
378 FBM 0.8870
379 FBU 0.8870
380 URS 0.8867
381 I4B 0.8867
382 PAB 0.8864
383 ORO 0.8863
384 LX1 0.8861
385 M4T 0.8860
386 NIZ 0.8859
387 GLY CYS 0.8858
388 PKU 0.8856
389 4HP 0.8854
390 ILE 0.8854
391 NFA 0.8852
392 PBA 0.8852
393 F9P 0.8852
394 PEA 0.8852
395 ITN 0.8851
396 HY1 0.8849
397 SVD 0.8849
398 ZBT 0.8849
399 DHB 0.8846
400 MET 0.8845
401 EYK 0.8844
402 K34 0.8843
403 1P3 0.8843
404 5XC 0.8843
405 HZP 0.8840
406 4WL 0.8839
407 I1E 0.8838
408 4JC 0.8838
409 8EW 0.8838
410 XBT 0.8837
411 KBZ 0.8837
412 ORN 0.8835
413 BP9 0.8833
414 FAN 0.8830
415 MED 0.8829
416 IHG 0.8829
417 M6W 0.8826
418 FUD 0.8826
419 OOG 0.8824
420 LFC 0.8824
421 2AL 0.8824
422 CXP 0.8823
423 UGC 0.8823
424 SHI 0.8822
425 PAF 0.8821
426 23J 0.8820
427 OCT 0.8819
428 PNZ 0.8819
429 IPB 0.8818
430 8OZ 0.8818
431 PJL 0.8818
432 OTR 0.8817
433 DBX 0.8817
434 MSR 0.8816
435 XIY 0.8813
436 KOJ 0.8812
437 2EH 0.8809
438 DCL 0.8809
439 PZM 0.8808
440 S2P 0.8808
441 88L 0.8807
442 ARG 0.8807
443 KBB 0.8806
444 Z82 0.8806
445 4FH 0.8806
446 PBZ 0.8805
447 4NC 0.8805
448 9YT 0.8804
449 1P8 0.8804
450 DXP 0.8803
451 2JJ 0.8803
452 HBD 0.8802
453 14J 0.8800
454 069 0.8798
455 INO 0.8796
456 ANN 0.8793
457 HQJ 0.8793
458 A3M 0.8792
459 AC0 0.8790
460 H42 0.8790
461 MWP 0.8788
462 6TZ 0.8787
463 ET2 0.8786
464 PEL 0.8783
465 PPY 0.8782
466 HDH 0.8782
467 HYP 0.8782
468 HCS 0.8781
469 PIM 0.8779
470 F60 0.8778
471 4MA 0.8772
472 7UC 0.8769
473 36E 0.8769
474 4LV 0.8767
475 GRO 0.8767
476 DER 0.8766
477 R20 0.8766
478 271 0.8765
479 4P5 0.8765
480 UY7 0.8765
481 1M2 0.8764
482 3AL 0.8763
483 TCA 0.8763
484 FA0 0.8763
485 YRL 0.8761
486 23W 0.8760
487 MR1 0.8760
488 4FA 0.8760
489 5MI 0.8758
490 1Y6 0.8758
491 IVL 0.8757
492 N4B 0.8757
493 268 0.8757
494 BHU 0.8757
495 BPN 0.8756
496 FK1 0.8755
497 AEG 0.8753
498 93K 0.8752
499 11S 0.8750
500 DEZ 0.8750
501 MAH 0.8750
502 MEV 0.8749
503 ABV 0.8747
504 GYE 0.8747
505 2K4 0.8745
506 4ZA 0.8744
507 NXA 0.8744
508 4VP 0.8742
509 H4N 0.8741
510 FA1 0.8740
511 5CU 0.8740
512 S7A 0.8738
513 L5V 0.8738
514 1DU 0.8738
515 C5A 0.8737
516 AEF 0.8737
517 6AI 0.8736
518 TYE 0.8736
519 ILO 0.8736
520 P9P 0.8735
521 6NI 0.8735
522 BHL 0.8733
523 PRA 0.8733
524 P72 0.8733
525 826 0.8732
526 QSB 0.8729
527 MYJ 0.8728
528 IT2 0.8725
529 ABU 0.8725
530 SNE 0.8725
531 WCE 0.8725
532 174 0.8723
533 IWT 0.8723
534 5H1 0.8722
535 NCT 0.8719
536 263 0.8719
537 2HO 0.8718
538 DHS 0.8717
539 14O 0.8716
540 NYL 0.8715
541 JAE 0.8715
542 UA5 0.8711
543 5MB 0.8709
544 DDK 0.8709
545 ES9 0.8706
546 9SE 0.8704
547 9TW 0.8703
548 AX7 0.8702
549 IHB 0.8700
550 X1R 0.8699
551 OHP 0.8697
552 DOB 0.8695
553 HSM 0.8693
554 4M0 0.8692
555 8SZ 0.8691
556 EVF 0.8690
557 HSE 0.8689
558 CHB 0.8687
559 JZ5 0.8687
560 4JT 0.8687
561 4NM 0.8687
562 BNF 0.8686
563 MRZ 0.8685
564 MAJ 0.8685
565 4XR 0.8685
566 F4E 0.8685
567 KMT 0.8684
568 ASC 0.8680
569 QUS 0.8679
570 3V4 0.8679
571 BHA 0.8679
572 CN0 0.8675
573 HX4 0.8675
574 ENV 0.8675
575 GGB 0.8675
576 PIY 0.8670
577 A8C 0.8670
578 COU 0.8668
579 HL4 0.8667
580 4FS 0.8666
581 5HN 0.8666
582 9RH 0.8666
583 OVM 0.8665
584 LNR 0.8664
585 7VP 0.8662
586 5GU 0.8661
587 SYV 0.8660
588 270 0.8658
589 LEA 0.8657
590 7MU 0.8657
591 6OT 0.8656
592 1L5 0.8656
593 Z13 0.8651
594 MPV 0.8651
595 AHN 0.8651
596 LY0 0.8650
597 BNL 0.8645
598 264 0.8643
599 92K 0.8643
600 4JM 0.8641
601 1CO 0.8640
602 4SD 0.8639
603 SSN 0.8639
604 2F6 0.8637
605 M3H 0.8635
606 BCU 0.8632
607 OW4 0.8631
608 PPT 0.8630
609 BTM 0.8629
610 2BX 0.8627
611 SW7 0.8625
612 5NI 0.8623
613 XXG 0.8622
614 XX2 0.8620
615 F31 0.8620
616 FBA 0.8618
617 ODV 0.8618
618 TZF 0.8617
619 BRT 0.8615
620 HPP 0.8614
621 E5X 0.8612
622 9X7 0.8610
623 MRY 0.8607
624 41K 0.8607
625 SNU 0.8605
626 N9J 0.8602
627 R9S 0.8601
628 JZ7 0.8600
629 ICB 0.8600
630 CTL 0.8596
631 4A3 0.8596
632 VNL 0.8595
633 OMD 0.8595
634 FHB 0.8595
635 L14 0.8594
636 LER 0.8592
637 DDW 0.8590
638 CPZ 0.8590
639 911 0.8589
640 1DW 0.8589
641 PH3 0.8587
642 36Y 0.8584
643 2D8 0.8583
644 A29 0.8583
645 CIR 0.8576
646 BUB 0.8574
647 MSE 0.8572
648 AOT 0.8570
649 4NZ 0.8568
650 J9Q 0.8567
651 3PO 0.8563
652 RBJ 0.8562
653 8WO 0.8562
654 GVG 0.8561
655 C1M 0.8559
656 6NT 0.8555
657 52C 0.8554
658 2ZM 0.8545
659 S7J 0.8538
660 3HM 0.8535
661 9YL 0.8531
662 NNO 0.8530
663 HC4 0.8527
664 JAW 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5TKL; Ligand: G3H; 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: 5tkl.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5TKL; Ligand: G3H; 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: 5tkl.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5TKL; Ligand: G3H; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5tkl.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5TKL; Ligand: G3H; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5tkl.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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