Receptor
PDB id Resolution Class Description Source Keywords
1B57 2 Å EC: 4.1.2.13 CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE ESCHERICHIA COLI LYASE ALDEHYDE GLYCOLYSIS
Ref.: THE CRYSTAL STRUCTURE OF ESCHERICHIA COLI CLASS II FRUCTOSE-1, 6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE REVEALS DETAILS OF MECHANISM AND SPECIFICITY. J.MOL.BIOL. V. 287 383 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:365;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NA A:364;
B:364;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PGH A:359;
B:359;
Valid;
Valid;
none;
none;
submit data
171.046 C2 H6 N O6 P C(C(=...
ZN A:360;
A:361;
A:362;
A:363;
B:360;
B:361;
B:362;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
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
5VJE 1.65 Å EC: 4.1.2.13 CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE OF ESCHERICHIA C D-GLUCITOL 1,6-BISPHOSPHATE ESCHERICHIA COLI (STRAIN K12) GLYCOLYSIS LYASE
Ref.: ACTIVE SITE REMODELING DURING THE CATALYTIC CYCLE I METAL-DEPENDENT FRUCTOSE-1,6-BISPHOSPHATE ALDOLASES J. BIOL. CHEM. V. 293 7737 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5VJD - 13P C3 H7 O6 P C(C(=O)COP....
2 5VJE Ki = 60 uM GOS C6 H16 O12 P2 C([C@H]([C....
3 1B57 - PGH C2 H6 N O6 P C(C(=O)NO)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5VJD - 13P C3 H7 O6 P C(C(=O)COP....
2 5VJE Ki = 60 uM GOS C6 H16 O12 P2 C([C@H]([C....
3 1B57 - PGH C2 H6 N O6 P C(C(=O)NO)....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5VJD - 13P C3 H7 O6 P C(C(=O)COP....
2 5VJE Ki = 60 uM GOS C6 H16 O12 P2 C([C@H]([C....
3 1B57 - PGH C2 H6 N O6 P C(C(=O)NO)....
4 3EKL - 13P C3 H7 O6 P C(C(=O)COP....
5 3EKZ - G3P C3 H9 O6 P C([C@H](CO....
6 4LV4 Kd = 9.39 uM 8HC C10 H7 N O3 c1cc2ccc(n....
7 4A22 Kd = 6.8 nM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
8 4DEL Kd = 21.1 nM PGH C2 H6 N O6 P C(C(=O)NO)....
9 3ELF - 2FP C6 H14 O12 P2 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PGH; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PGH 1 1
2 PGA 0.482759 0.651163
3 PAH 0.433333 0.844444
4 13P 0.424242 0.622222
5 HPV 0.424242 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: PGH; Similar ligands found: 577
No: Ligand Similarity coefficient
1 GP9 1.0000
2 G3P 1.0000
3 KDG 1.0000
4 LTL 0.9955
5 G3H 0.9948
6 129 0.9925
7 1GP 0.9917
8 PSE 0.9706
9 HG3 0.9682
10 3PG 0.9681
11 3PP 0.9626
12 X1S 0.9620
13 1SA 0.9594
14 1SH 0.9567
15 CCD 0.9550
16 CCE 0.9539
17 OSE 0.9530
18 SEP 0.9512
19 PEP 0.9498
20 ACH 0.9493
21 SPV 0.9483
22 MSL 0.9468
23 GLU 0.9466
24 LMR 0.9466
25 GPJ 0.9457
26 3S5 0.9449
27 CHH 0.9446
28 4LR 0.9442
29 PPR 0.9436
30 AT3 0.9431
31 GPF 0.9430
32 IP8 0.9425
33 9GB 0.9424
34 GLY GLY 0.9387
35 3SL 0.9386
36 NM3 0.9384
37 OKG 0.9379
38 MEQ 0.9370
39 8K2 0.9366
40 AKG 0.9361
41 2HG 0.9352
42 TSU 0.9348
43 EOU 0.9343
44 HMS 0.9342
45 CYX 0.9334
46 9ON 0.9331
47 SIN 0.9327
48 K6H 0.9314
49 QMP 0.9313
50 GZ3 0.9311
51 E4P 0.9306
52 KVV 0.9306
53 FUM 0.9304
54 AMS 0.9293
55 DIR 0.9292
56 GVM 0.9289
57 4J8 0.9289
58 KMH 0.9283
59 MUC 0.9282
60 HBU 0.9277
61 7BC 0.9276
62 RTK 0.9269
63 S2G 0.9268
64 0V5 0.9266
65 SD4 0.9263
66 GLN 0.9262
67 7OD 0.9260
68 NF3 0.9256
69 SAN 0.9248
70 9J3 0.9247
71 OGA 0.9242
72 FBS 0.9241
73 PMF 0.9233
74 3YP 0.9228
75 PC 0.9227
76 FOM 0.9225
77 DE5 0.9225
78 N6C 0.9218
79 4MV 0.9218
80 FB2 0.9218
81 LEU 0.9214
82 AL0 0.9210
83 ONL 0.9208
84 AAS 0.9207
85 URP 0.9207
86 OPE 0.9206
87 URQ 0.9202
88 PLU 0.9200
89 SRT 0.9199
90 OAA 0.9195
91 HPS 0.9194
92 LNO 0.9193
93 5XA 0.9188
94 1X4 0.9186
95 HGA 0.9184
96 MAE 0.9179
97 HPN 0.9176
98 NPO 0.9176
99 B85 0.9172
100 KVP 0.9171
101 TLA 0.9168
102 PZM 0.9168
103 BHH 0.9167
104 SYC 0.9167
105 TPO 0.9166
106 ASP 0.9166
107 7VD 0.9166
108 M4S 0.9165
109 FSG 0.9164
110 FBW 0.9163
111 1DV 0.9161
112 DGL 0.9157
113 DQY 0.9154
114 OEG 0.9151
115 FCR 0.9150
116 2IT 0.9147
117 HX2 0.9147
118 SHF 0.9147
119 3OL 0.9146
120 ROR 0.9145
121 DLY 0.9144
122 P22 0.9143
123 PMB 0.9140
124 PEQ 0.9138
125 GGL 0.9138
126 CMS 0.9138
127 EHM 0.9137
128 3OM 0.9136
129 UN1 0.9133
130 H95 0.9130
131 9X6 0.9128
132 K6V 0.9124
133 URS 0.9124
134 0VT 0.9123
135 SPA 0.9122
136 GUA 0.9121
137 HIS 0.9120
138 LUQ 0.9116
139 GWM 0.9114
140 152 0.9110
141 2CO 0.9107
142 4JC 0.9105
143 A20 0.9102
144 7N0 0.9101
145 URO 0.9099
146 DGN 0.9098
147 MLT 0.9095
148 TIH 0.9094
149 3LR 0.9087
150 J9N 0.9086
151 SHV 0.9084
152 DYT 0.9080
153 11C 0.9079
154 IZC 0.9079
155 6JN 0.9077
156 HSO 0.9076
157 PSJ 0.9075
158 NMG 0.9074
159 0L1 0.9073
160 LYN 0.9073
161 98J 0.9072
162 DHM 0.9072
163 HDA 0.9072
164 LLQ 0.9071
165 CCU 0.9071
166 NMJ 0.9069
167 CRN 0.9062
168 Q9Z 0.9059
169 FK8 0.9058
170 QY9 0.9053
171 EDR 0.9051
172 DAV 0.9050
173 XCZ 0.9050
174 MHN 0.9048
175 HL5 0.9046
176 51R 0.9046
177 ISZ 0.9046
178 3QM 0.9045
179 PAC 0.9044
180 TEO 0.9044
181 4FA 0.9044
182 3OC 0.9043
183 MES 0.9043
184 LYS 0.9040
185 VKC 0.9039
186 NLP 0.9039
187 449 0.9037
188 6NA 0.9033
189 TAR 0.9032
190 7C3 0.9029
191 717 0.9022
192 R9M 0.9021
193 3AB 0.9021
194 AG2 0.9018
195 MZT 0.9015
196 G2H 0.9015
197 SME 0.9012
198 BHO 0.9012
199 173 0.9011
200 3HP 0.9011
201 PG3 0.9011
202 CFI 0.9010
203 DS0 0.9007
204 NSB 0.9006
205 ICF 0.9006
206 IXW 0.9002
207 KBZ 0.9001
208 3HG 0.8998
209 RNS 0.8996
210 B40 0.8995
211 PG0 0.8994
212 K34 0.8993
213 HDH 0.8993
214 FOC 0.8987
215 XUL 0.8987
216 HIC 0.8986
217 FBJ 0.8986
218 SOR 0.8985
219 PAB 0.8982
220 PHB 0.8981
221 DHI 0.8980
222 COI 0.8978
223 MPH 0.8974
224 MHO 0.8974
225 7WG 0.8974
226 5FX 0.8973
227 OTR 0.8971
228 RB5 0.8970
229 XYL 0.8970
230 TAG 0.8970
231 HHI 0.8968
232 RSO 0.8963
233 6PC 0.8963
234 SHO 0.8958
235 3HB 0.8954
236 XLS 0.8953
237 B3U 0.8953
238 KPC 0.8949
239 2RH 0.8948
240 8EW 0.8948
241 SDD 0.8947
242 4FH 0.8946
243 HTX 0.8945
244 PCA 0.8942
245 J0Z 0.8942
246 OK7 0.8942
247 S8V 0.8940
248 R67 0.8940
249 AMH 0.8938
250 QDK 0.8938
251 ACA 0.8937
252 SYM 0.8936
253 7A8 0.8935
254 CXP 0.8935
255 ALA ALA 0.8932
256 UGC 0.8932
257 NIZ 0.8931
258 4HP 0.8931
259 SOL 0.8931
260 ZGL 0.8930
261 HF2 0.8929
262 NIO 0.8928
263 RBL 0.8928
264 ORN 0.8928
265 A09 0.8928
266 49F 0.8928
267 DZA 0.8928
268 MTL 0.8926
269 GAB 0.8925
270 NLE 0.8924
271 FBM 0.8924
272 S2P 0.8924
273 RUJ 0.8924
274 4SX 0.8922
275 X0V 0.8919
276 XRG 0.8919
277 NCA 0.8918
278 OVV 0.8917
279 HIO 0.8917
280 BEN 0.8915
281 3BU 0.8915
282 S0H 0.8914
283 AC6 0.8912
284 EKZ 0.8911
285 GLO 0.8911
286 4CS 0.8910
287 2PG 0.8907
288 YRL 0.8903
289 HBD 0.8903
290 HCI 0.8903
291 KTA 0.8903
292 OCT 0.8899
293 AOS 0.8898
294 GJZ 0.8898
295 PO6 0.8897
296 RJY 0.8896
297 JYD 0.8896
298 SS2 0.8894
299 M45 0.8894
300 TYL 0.8893
301 AEF 0.8891
302 DAS 0.8890
303 BEZ 0.8890
304 RNT 0.8889
305 K7M 0.8889
306 BNS 0.8885
307 SSB 0.8885
308 ONH 0.8885
309 DYA 0.8882
310 Q07 0.8882
311 MET 0.8879
312 1HS 0.8879
313 PNZ 0.8879
314 DA4 0.8878
315 1DJ 0.8878
316 THE 0.8875
317 8GL 0.8875
318 FQI 0.8874
319 HYA 0.8873
320 F9P 0.8873
321 GOJ 0.8871
322 IHG 0.8871
323 CUW 0.8870
324 MAJ 0.8870
325 PHU 0.8870
326 DPN 0.8869
327 16D 0.8868
328 4WL 0.8868
329 3NT 0.8868
330 36E 0.8866
331 2AS 0.8866
332 IFP 0.8865
333 ASN 0.8865
334 LX1 0.8863
335 1Y6 0.8860
336 4P5 0.8860
337 DAL DAL 0.8860
338 SHI 0.8860
339 MAH 0.8860
340 FUD 0.8859
341 FBV 0.8858
342 8OZ 0.8857
343 PBZ 0.8857
344 40E 0.8856
345 PKU 0.8856
346 FEH 0.8855
347 1FD 0.8855
348 TPA 0.8853
349 3BZ 0.8851
350 CXF 0.8851
351 S7A 0.8851
352 TZL 0.8844
353 AHB 0.8844
354 4NC 0.8843
355 NXA 0.8843
356 GLY ALA 0.8843
357 DER 0.8842
358 2FT 0.8839
359 7UC 0.8837
360 LFC 0.8836
361 TIU 0.8834
362 OCA 0.8831
363 NYL 0.8831
364 650 0.8830
365 RAT 0.8829
366 AEG 0.8829
367 PIM 0.8829
368 Q02 0.8828
369 FB1 0.8828
370 14J 0.8827
371 NFA 0.8826
372 LPK 0.8825
373 BHU 0.8825
374 2BX 0.8825
375 HFA 0.8824
376 Q03 0.8823
377 PHE 0.8821
378 MXN 0.8819
379 PZI 0.8819
380 5XB 0.8819
381 54D 0.8818
382 Z82 0.8817
383 NSD 0.8813
384 OOG 0.8812
385 TB6 0.8812
386 4MA 0.8811
387 HQJ 0.8810
388 5WZ 0.8809
389 IVL 0.8809
390 M6W 0.8808
391 IOM 0.8806
392 MNN 0.8804
393 MD0 0.8802
394 HZP 0.8802
395 RHU 0.8801
396 MEV 0.8799
397 MSR 0.8799
398 88L 0.8796
399 EVF 0.8795
400 PBC 0.8794
401 4ZA 0.8793
402 DXP 0.8789
403 5OY 0.8788
404 F4E 0.8788
405 1P3 0.8788
406 FAN 0.8787
407 SNU 0.8787
408 I1E 0.8787
409 DAR 0.8786
410 ANN 0.8786
411 ITN 0.8785
412 53C 0.8783
413 P9P 0.8782
414 TCA 0.8781
415 268 0.8780
416 9RW 0.8779
417 ZBT 0.8779
418 2JJ 0.8778
419 BPN 0.8776
420 4SD 0.8773
421 MYJ 0.8773
422 I4B 0.8772
423 DBX 0.8772
424 M3H 0.8770
425 PIY 0.8769
426 XBT 0.8767
427 PH3 0.8766
428 4NG 0.8763
429 PEL 0.8762
430 NM2 0.8760
431 R2P 0.8759
432 AHN 0.8759
433 PIS 0.8759
434 7VP 0.8756
435 NCT 0.8754
436 SMN 0.8754
437 6TZ 0.8752
438 J9T 0.8752
439 1CO 0.8750
440 RP3 0.8749
441 BNF 0.8748
442 DHB 0.8747
443 IWT 0.8747
444 INO 0.8746
445 069 0.8745
446 XIZ 0.8742
447 Z13 0.8740
448 RMN 0.8739
449 PEA 0.8738
450 PPY 0.8737
451 KMT 0.8737
452 ENV 0.8736
453 45L 0.8733
454 R20 0.8733
455 4NM 0.8733
456 XX2 0.8733
457 BTM 0.8732
458 9YT 0.8728
459 TZF 0.8728
460 GRO 0.8725
461 DHS 0.8724
462 TYE 0.8724
463 L5V 0.8723
464 0OC 0.8722
465 4LV 0.8721
466 5XC 0.8720
467 HX4 0.8717
468 K5W 0.8717
469 7MU 0.8715
470 HC4 0.8715
471 SW7 0.8714
472 MJ2 0.8713
473 LNR 0.8712
474 HSM 0.8711
475 174 0.8710
476 2HO 0.8709
477 4NZ 0.8707
478 LLH 0.8704
479 CPZ 0.8703
480 DTY 0.8702
481 L14 0.8700
482 HY1 0.8697
483 1DU 0.8693
484 M4T 0.8692
485 3FH 0.8692
486 LEA 0.8691
487 258 0.8690
488 HHH 0.8688
489 3AL 0.8685
490 2AL 0.8685
491 2BG 0.8685
492 MED 0.8683
493 826 0.8682
494 ABU 0.8682
495 ARG 0.8681
496 FBF 0.8680
497 93K 0.8677
498 SN4 0.8677
499 BNL 0.8676
500 4CM 0.8675
501 4TB 0.8675
502 AES 0.8674
503 GCO 0.8674
504 1BN 0.8671
505 O45 0.8670
506 41K 0.8670
507 9SE 0.8670
508 N4B 0.8669
509 ASC 0.8669
510 DLT 0.8667
511 PRA 0.8667
512 36Y 0.8666
513 AZM 0.8666
514 QSC 0.8666
515 8SZ 0.8665
516 6FZ 0.8664
517 OVM 0.8663
518 2F6 0.8661
519 3W8 0.8659
520 VAH 0.8658
521 9TW 0.8658
522 XSP 0.8657
523 C1M 0.8657
524 X1R 0.8657
525 4LW 0.8653
526 MDN 0.8653
527 SVD 0.8652
528 CHB 0.8652
529 E5X 0.8651
530 BUB 0.8651
531 A5E 0.8650
532 PPT 0.8650
533 IHB 0.8647
534 MPV 0.8645
535 ILO 0.8644
536 HL4 0.8642
537 AM4 0.8640
538 271 0.8640
539 OW4 0.8636
540 AOT 0.8632
541 PBA 0.8626
542 Q06 0.8613
543 1L5 0.8610
544 O8Y 0.8610
545 SSN 0.8609
546 64Z 0.8603
547 FBU 0.8601
548 WCE 0.8597
549 E79 0.8597
550 DHY 0.8595
551 MSE 0.8594
552 FHC 0.8591
553 BRT 0.8590
554 5LA 0.8588
555 QSB 0.8585
556 6OT 0.8584
557 NNO 0.8583
558 YPN 0.8579
559 1KA 0.8579
560 GVG 0.8576
561 AHC 0.8573
562 4A3 0.8570
563 5RP 0.8562
564 AC0 0.8557
565 8WO 0.8555
566 TGX 0.8555
567 FHB 0.8553
568 259 0.8552
569 N9J 0.8550
570 M6H 0.8548
571 OMD 0.8547
572 KBB 0.8542
573 2D8 0.8541
574 SKJ 0.8535
575 MWP 0.8533
576 2HC 0.8511
577 97T 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VJE; Ligand: GOS; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5vje.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1GVF PGH 49.3007
2 1GVF PGH 49.3007
Pocket No.: 2; Query (leader) PDB : 5VJE; Ligand: GOS; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 5vje.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1GVF PGH 49.3007
2 1GVF PGH 49.3007
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