Receptor
PDB id Resolution Class Description Source Keywords
2CXP 1.7 Å EC: 5.3.1.9 CRYSTAL STRUCTURE OF MOUSE AMF / A5P COMPLEX MUS MUSCULUS ISOMERASE
Ref.: CRYSTAL STRUCTURES OF MOUSE AUTOCRINE MOTILITY FACT COMPLEX WITH CARBOHYDRATE PHOSPHATE INHIBITORS PROV INSIGHT INTO STRUCTURE-ACTIVITY RELATIONSHIP OF THE INHIBITORS J.MOL.BIOL. V. 356 312 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A5P A:1601;
B:2601;
 Valid;
Valid;
 none;
none;
 submit data
232.126 C5 H13 O8 P C([C@...
GOL A:1701;
A:1702;
A:1704;
B:1703;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CXS 1.5 Å EC: 5.3.1.9 CRYSTAL STRUCTURE OF MOUSE AMF / F6P COMPLEX MUS MUSCULUS ISOMERASE
Ref.: CRYSTAL STRUCTURES OF MOUSE AUTOCRINE MOTILITY FACT COMPLEX WITH CARBOHYDRATE PHOSPHATE INHIBITORS PROV INSIGHT INTO STRUCTURE-ACTIVITY RELATIONSHIP OF THE INHIBITORS J.MOL.BIOL. V. 356 312 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2CXS - F6P C6 H13 O9 P C([C@@H]1[....
2 2CXR - 6PG C6 H13 O10 P C([C@H]([C....
3 2CXQ - S6P C6 H15 O9 P C([C@@H]([....
4 2CXO - DER C4 H9 O8 P C([C@@H]([....
5 2CXT - F6P C6 H13 O9 P C([C@@H]1[....
6 2CXP - A5P C5 H13 O8 P C([C@H]([C....
7 1U0G - E4P C4 H9 O7 P C([C@H]([C....
8 1U0F - G6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2CXS - F6P C6 H13 O9 P C([C@@H]1[....
2 2CXR - 6PG C6 H13 O10 P C([C@H]([C....
3 2CXQ - S6P C6 H15 O9 P C([C@@H]([....
4 2CXO - DER C4 H9 O8 P C([C@@H]([....
5 2CXT - F6P C6 H13 O9 P C([C@@H]1[....
6 2CXP - A5P C5 H13 O8 P C([C@H]([C....
7 1U0G - E4P C4 H9 O7 P C([C@H]([C....
8 1U0F - G6P C6 H13 O9 P C([C@@H]1[....
9 1G98 Ki = 2 uM PA5 C5 H11 O9 P C([C@H]([C....
10 1KOJ Ki = 0.2 uM PAN C5 H12 N O9 P C([C@H]([C....
11 6XUI - PA5 C5 H11 O9 P C([C@H]([C....
12 6XUH Ki = 0.7 uM O1B C7 H17 N2 O8 P C(CNC(=O)[....
13 1IRI - E4P C4 H9 O7 P C([C@H]([C....
14 1XTB - S6P C6 H15 O9 P C([C@@H]([....
15 1HOX - F6P C6 H13 O9 P C([C@@H]1[....
16 1DQR Ki = 43 uM 6PG C6 H13 O10 P C([C@H]([C....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2O2C - G6Q C6 H13 O9 P C([C@H]([C....
2 2O2D - CIT C6 H8 O7 C(C(=O)O)C....
3 2CXS - F6P C6 H13 O9 P C([C@@H]1[....
4 2CXR - 6PG C6 H13 O10 P C([C@H]([C....
5 2CXQ - S6P C6 H15 O9 P C([C@@H]([....
6 2CXO - DER C4 H9 O8 P C([C@@H]([....
7 2CXT - F6P C6 H13 O9 P C([C@@H]1[....
8 2CXP - A5P C5 H13 O8 P C([C@H]([C....
9 1U0G - E4P C4 H9 O7 P C([C@H]([C....
10 1U0F - G6P C6 H13 O9 P C([C@@H]1[....
11 1T10 - F6P C6 H13 O9 P C([C@@H]1[....
12 1G98 Ki = 2 uM PA5 C5 H11 O9 P C([C@H]([C....
13 1KOJ Ki = 0.2 uM PAN C5 H12 N O9 P C([C@H]([C....
14 6XUI - PA5 C5 H11 O9 P C([C@H]([C....
15 6XUH Ki = 0.7 uM O1B C7 H17 N2 O8 P C(CNC(=O)[....
16 1IRI - E4P C4 H9 O7 P C([C@H]([C....
17 1XTB - S6P C6 H15 O9 P C([C@@H]([....
18 1HOX - F6P C6 H13 O9 P C([C@@H]1[....
19 1DQR Ki = 43 uM 6PG C6 H13 O10 P C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A5P; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 A5P 1 1
2 DX5 1 1
3 LXP 1 1
4 FQ8 0.794118 0.971429
5 S6P 0.71875 0.970588
6 M2P 0.666667 0.914286
7 GOS 0.666667 0.914286
8 DG6 0.628571 0.971429
9 LX1 0.588235 0.861111
10 M6R 0.552632 0.785714
11 AGP 0.552632 0.785714
12 HG3 0.548387 0.828571
13 R5P 0.540541 0.861111
14 R52 0.540541 0.861111
15 TX4 0.540541 0.659574
16 PA5 0.526316 0.837838
17 R10 0.526316 0.837838
18 G6Q 0.512821 0.861111
19 52L 0.511628 0.680851
20 LG6 0.5 0.837838
21 6PG 0.5 0.837838
22 F6R 0.5 0.916667
23 TG6 0.5 0.916667
24 1GP 0.484848 0.911765
25 G3P 0.484848 0.911765
26 P6T 0.47619 0.888889
27 PAN 0.47619 0.632653
28 I22 0.47619 0.916667
29 2FP 0.47619 0.888889
30 P6F 0.47619 0.888889
31 E4P 0.472222 0.805556
32 KD0 0.465116 0.837838
33 9C2 0.465116 0.62
34 HMS 0.45 0.944444
35 5RP 0.45 0.944444
36 5SP 0.45 0.944444
37 DEZ 0.447368 0.837838
38 DER 0.447368 0.837838
39 H4P 0.444444 0.767442
40 DXP 0.435897 0.763158
41 1NT 0.428571 0.837838
42 RB0 0.428571 0.647059
43 XYL 0.428571 0.647059
44 4TP 0.425 0.704545
45 LRY 0.416667 0.673913
46 PSE 0.416667 0.682927
47 PAI 0.408163 0.711111
48 O1B 0.408163 0.647059
49 RES 0.404762 0.632653
50 RUB 0.404762 0.888889
51 XBP 0.404762 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: A5P; Similar ligands found: 554
No: Ligand Similarity coefficient
1 D6P 0.9495
2 ZEC 0.9419
3 N2M 0.9394
4 EVF 0.9340
5 PLP 0.9318
6 1AE 0.9311
7 4CM 0.9306
8 AM4 0.9245
9 D6G 0.9240
10 TU0 0.9210
11 SG3 0.9208
12 PLR 0.9204
13 61M 0.9204
14 HSX 0.9200
15 SKF 0.9197
16 BCH 0.9196
17 PMP 0.9192
18 JFM 0.9187
19 9GB 0.9177
20 ATX 0.9175
21 TZP 0.9166
22 3W3 0.9164
23 3W6 0.9164
24 RNO 0.9157
25 SNO 0.9150
26 D5X 0.9139
27 K97 0.9130
28 STT 0.9128
29 5OY 0.9127
30 SG2 0.9126
31 4R1 0.9124
32 4NZ 0.9123
33 3VX 0.9121
34 12T 0.9102
35 DHC 0.9093
36 ABF 0.9090
37 MF3 0.9088
38 G6P 0.9082
39 GGG 0.9081
40 XCG 0.9080
41 STX 0.9077
42 4JE 0.9073
43 1X4 0.9071
44 AES 0.9064
45 AZM 0.9061
46 GZ2 0.9059
47 MRU 0.9055
48 EUE 0.9055
49 RP3 0.9053
50 C26 0.9050
51 Z13 0.9048
52 EXD 0.9048
53 GLP 0.9046
54 5LD 0.9045
55 2JJ 0.9042
56 2HC 0.9042
57 IOS 0.9041
58 M6P 0.9040
59 MZM 0.9039
60 PXP 0.9038
61 5GT 0.9034
62 4NP 0.9034
63 363 0.9032
64 TMG 0.9032
65 4MB 0.9031
66 ESX 0.9031
67 GO2 0.9031
68 FBF 0.9031
69 HSA 0.9029
70 N91 0.9029
71 PNP 0.9026
72 M3L 0.9026
73 GO8 0.9025
74 RP5 0.9023
75 TCA 0.9016
76 2FX 0.9015
77 CXH 0.9012
78 BP7 0.9010
79 1F1 0.9006
80 XIZ 0.9006
81 LQ2 0.9006
82 ESP 0.9005
83 428 0.9004
84 PLP PMP 0.9002
85 MD6 0.8999
86 GJK 0.8999
87 MAJ 0.8996
88 1QV 0.8995
89 36E 0.8994
90 API 0.8993
91 MVH 0.8993
92 4XF 0.8989
93 UA5 0.8988
94 3ZB 0.8985
95 F98 0.8984
96 FER 0.8983
97 FF2 0.8983
98 4BY 0.8977
99 8NB 0.8975
100 X48 0.8973
101 2O6 0.8972
102 BG6 0.8969
103 TA6 0.8967
104 HC4 0.8965
105 P7Y 0.8962
106 4BL 0.8961
107 F6P 0.8958
108 IVL 0.8956
109 DJN 0.8955
110 BL0 0.8953
111 LSQ 0.8947
112 9J6 0.8945
113 I2E 0.8944
114 S7J 0.8940
115 S8G 0.8940
116 CTE 0.8938
117 P80 0.8938
118 KYN 0.8937
119 PMV 0.8937
120 1PS 0.8937
121 MP5 0.8936
122 14W 0.8936
123 3W8 0.8935
124 P9E 0.8934
125 N7I 0.8934
126 FOM 0.8933
127 657 0.8927
128 KTW 0.8926
129 PTB 0.8924
130 0SY 0.8920
131 DHM 0.8917
132 PRO GLY 0.8917
133 TBJ 0.8912
134 VFG 0.8912
135 6Q3 0.8912
136 ZHA 0.8911
137 GAE 0.8911
138 KLV 0.8911
139 CFA 0.8910
140 L22 0.8910
141 M1T 0.8910
142 2J3 0.8909
143 ESI 0.8906
144 J6W 0.8906
145 CIY 0.8904
146 EYV 0.8902
147 ZON 0.8902
148 PO6 0.8901
149 2O8 0.8901
150 EPE 0.8901
151 N4E 0.8900
152 N1E 0.8899
153 S0E 0.8898
154 P81 0.8898
155 DZA 0.8897
156 BZ2 0.8897
157 K4V 0.8896
158 SYE 0.8895
159 H4B 0.8894
160 3VS 0.8894
161 QIV 0.8893
162 GNM 0.8893
163 GLY GLY GLY 0.8893
164 4JC 0.8891
165 IAC 0.8889
166 KF5 0.8889
167 88L 0.8888
168 LGT 0.8887
169 ARP 0.8887
170 E8U 0.8886
171 DAH 0.8886
172 V1T 0.8886
173 TRP 0.8885
174 JB8 0.8885
175 2BX 0.8884
176 2OR 0.8883
177 A6P 0.8881
178 XRX 0.8880
179 9ZE 0.8880
180 A7N 0.8879
181 4FE 0.8878
182 4NB 0.8878
183 5DL 0.8876
184 ZZU 0.8876
185 F1X 0.8875
186 ICB 0.8875
187 DA3 0.8874
188 KNA 0.8874
189 6L6 0.8872
190 15N 0.8869
191 EGV 0.8867
192 R20 0.8866
193 1FD 0.8866
194 6FB 0.8865
195 GRF 0.8864
196 NIY 0.8863
197 VC3 0.8862
198 GGB 0.8861
199 MQG 0.8860
200 4NS 0.8860
201 BPY 0.8857
202 ALE 0.8856
203 IL5 0.8856
204 A3M 0.8855
205 MMS 0.8855
206 A5Q 0.8854
207 OOG 0.8852
208 PPY 0.8851
209 PML 0.8851
210 P4F 0.8849
211 PBA 0.8848
212 GRQ 0.8846
213 E7S 0.8845
214 DTR 0.8841
215 HBI 0.8839
216 X0U 0.8839
217 KPC 0.8837
218 BGP 0.8837
219 IOP 0.8836
220 LR5 0.8834
221 TSR 0.8834
222 LUQ 0.8834
223 3PO 0.8834
224 4WL 0.8834
225 ABH 0.8833
226 ARG 0.8833
227 549 0.8833
228 3R4 0.8830
229 SLS 0.8829
230 M4S 0.8827
231 0F3 0.8827
232 7MW 0.8826
233 0HN 0.8826
234 5TY 0.8822
235 PC 0.8820
236 M6D 0.8820
237 MLY 0.8820
238 5WN 0.8819
239 9BF 0.8819
240 UNJ 0.8817
241 NAG 0.8815
242 80G 0.8814
243 NPL 0.8813
244 E9S 0.8812
245 HCA 0.8811
246 L14 0.8807
247 68A 0.8807
248 58X 0.8806
249 ISC 0.8805
250 BQ2 0.8805
251 LZ5 0.8804
252 JP2 0.8804
253 JDN 0.8804
254 KMY 0.8803
255 YI6 0.8803
256 S7G 0.8802
257 6QF 0.8802
258 ANC 0.8802
259 MPV 0.8799
260 8NX 0.8797
261 APS 0.8796
262 7O4 0.8796
263 0CG 0.8796
264 UN1 0.8794
265 64Z 0.8792
266 K82 0.8791
267 GF4 0.8790
268 HNT 0.8789
269 3VR 0.8788
270 ZRK 0.8786
271 DBS 0.8786
272 RYV 0.8786
273 8SZ 0.8786
274 6C4 0.8786
275 27B 0.8783
276 GJP 0.8782
277 BHQ 0.8782
278 IPR 0.8781
279 6J5 0.8779
280 EUH 0.8779
281 3Y7 0.8778
282 6FZ 0.8778
283 5LA 0.8778
284 A5E 0.8777
285 6HN 0.8776
286 F02 0.8776
287 S0A 0.8775
288 AN3 0.8774
289 F4E 0.8774
290 R1P 0.8774
291 463 0.8773
292 11C 0.8771
293 1L5 0.8771
294 4BX 0.8771
295 KDG 0.8770
296 3AE 0.8770
297 54X 0.8769
298 XI7 0.8767
299 LDP 0.8766
300 4TB 0.8763
301 SSC 0.8762
302 FYR 0.8761
303 40F 0.8759
304 Y3L 0.8758
305 X04 0.8758
306 6KT 0.8757
307 ILO 0.8755
308 ALX 0.8754
309 2ZM 0.8754
310 IPE 0.8753
311 S2C 0.8753
312 ALA GLU 0.8752
313 ENW 0.8752
314 CIR 0.8752
315 S0G 0.8751
316 0W1 0.8751
317 1OS 0.8751
318 HHS 0.8751
319 CSN 0.8751
320 5TO 0.8750
321 DAR 0.8750
322 TZM 0.8749
323 492 0.8749
324 QMS 0.8748
325 1HS 0.8747
326 TAG 0.8747
327 2JX 0.8746
328 C82 0.8743
329 BY5 0.8739
330 86L 0.8739
331 R8Y 0.8736
332 LO1 0.8735
333 DED 0.8734
334 PPT 0.8734
335 X1R 0.8732
336 5OO 0.8732
337 IYR 0.8730
338 9FH 0.8729
339 HA5 0.8729
340 S0D 0.8728
341 PTS 0.8727
342 ENV 0.8727
343 NPI 0.8724
344 NOK 0.8723
345 3A9 0.8723
346 Q04 0.8722
347 J4K 0.8722
348 AOS 0.8721
349 XDK 0.8721
350 LPK 0.8720
351 HCT 0.8717
352 FQX 0.8717
353 BZJ 0.8715
354 BGU 0.8715
355 FZM 0.8715
356 0HO 0.8715
357 HPO 0.8715
358 S0W 0.8714
359 GZV 0.8712
360 DI9 0.8711
361 2QC 0.8710
362 4LW 0.8710
363 E79 0.8710
364 9VQ 0.8710
365 3XR 0.8709
366 F06 0.8709
367 EZL 0.8708
368 QME 0.8707
369 OJD 0.8707
370 RD4 0.8707
371 F5C 0.8706
372 R9Y 0.8706
373 CUW 0.8705
374 6HP 0.8704
375 6NI 0.8704
376 YIP 0.8703
377 9YT 0.8701
378 NLQ 0.8699
379 RGP 0.8698
380 5DS 0.8698
381 2JK 0.8698
382 3PG 0.8697
383 AHC 0.8697
384 QBP 0.8697
385 LJ3 0.8695
386 HXY 0.8695
387 4I8 0.8694
388 0JD 0.8693
389 5B2 0.8693
390 92O 0.8692
391 JAW 0.8692
392 6C5 0.8692
393 6ZW 0.8691
394 F4K 0.8690
395 PPN 0.8689
396 HPP 0.8689
397 EXY 0.8689
398 TYR 0.8688
399 M5H 0.8687
400 Q06 0.8685
401 CH9 0.8684
402 6HO 0.8684
403 WT2 0.8684
404 GVY 0.8681
405 SNU 0.8680
406 HCI 0.8678
407 GNW 0.8678
408 VUR 0.8678
409 JA5 0.8677
410 6FG 0.8676
411 A7H 0.8675
412 NLG 0.8675
413 0A1 0.8674
414 MSR 0.8674
415 7UC 0.8673
416 5NI 0.8673
417 505 0.8672
418 ST3 0.8671
419 TB8 0.8668
420 4CF 0.8668
421 2K8 0.8666
422 KYA 0.8666
423 AKG 0.8664
424 ICT 0.8663
425 VFM 0.8662
426 ABI 0.8660
427 HJH 0.8657
428 MXD 0.8657
429 5TT 0.8657
430 C53 0.8654
431 CPZ 0.8654
432 SWX 0.8654
433 REL 0.8654
434 LIP 0.8653
435 NMM 0.8652
436 SB7 0.8652
437 BVA 0.8651
438 1VK 0.8650
439 3D1 0.8648
440 HAR 0.8647
441 GWM 0.8647
442 DTY 0.8646
443 36Y 0.8646
444 HRM 0.8643
445 AHL 0.8641
446 GB5 0.8641
447 2LT 0.8640
448 S3C 0.8640
449 YIE 0.8640
450 3VW 0.8639
451 CLT 0.8639
452 S7D 0.8638
453 IBP 0.8637
454 JAH 0.8636
455 RCV 0.8635
456 S7A 0.8635
457 GCO 0.8634
458 TEG 0.8633
459 0NX 0.8632
460 9NB 0.8631
461 IFG 0.8631
462 6ZX 0.8630
463 2NP 0.8629
464 OQC 0.8627
465 HBO 0.8625
466 PHE 0.8624
467 ANN 0.8624
468 EV2 0.8623
469 G88 0.8620
470 LVD 0.8620
471 4JK 0.8620
472 PFF 0.8618
473 8CC 0.8616
474 LOT 0.8616
475 6NT 0.8614
476 LYS 0.8614
477 AHN 0.8613
478 JBZ 0.8611
479 GDL 0.8610
480 IPD 0.8609
481 0OK 0.8608
482 1BW 0.8608
483 BNL 0.8608
484 HFA 0.8607
485 ENO 0.8606
486 2CZ 0.8606
487 5PV 0.8605
488 DMA 0.8604
489 R2P 0.8603
490 BIO 0.8601
491 PUE 0.8601
492 4BZ 0.8600
493 36M 0.8599
494 G14 0.8599
495 9H2 0.8598
496 54Z 0.8597
497 AMR 0.8596
498 I4D 0.8596
499 EZ1 0.8596
500 259 0.8596
501 CBE 0.8595
502 B41 0.8595
503 YTX 0.8593
504 9FE 0.8593
505 PJW 0.8592
506 5AD 0.8591
507 A5K 0.8589
508 HL4 0.8589
509 2UZ 0.8587
510 MSL 0.8586
511 M5B 0.8584
512 OCA 0.8584
513 SRO 0.8582
514 78Y 0.8582
515 PSJ 0.8582
516 L5V 0.8581
517 RYY 0.8580
518 1FE 0.8580
519 LLH 0.8579
520 AMH 0.8576
521 HLP 0.8576
522 5AB 0.8572
523 DEW 0.8571
524 NDG 0.8568
525 JOV 0.8568
526 OW7 0.8568
527 PH2 0.8566
528 ST2 0.8564
529 ZZA 0.8562
530 N2I 0.8558
531 D9Z 0.8558
532 P93 0.8557
533 8WO 0.8555
534 3D8 0.8555
535 HQJ 0.8555
536 HPT 0.8554
537 PNZ 0.8551
538 S24 0.8550
539 BHI 0.8550
540 26E 0.8538
541 3W1 0.8536
542 4ZA 0.8534
543 DPN 0.8534
544 FIX 0.8532
545 CL9 0.8530
546 VXX 0.8529
547 6FR 0.8529
548 RKN 0.8527
549 PRL 0.8526
550 SOR 0.8524
551 MLZ 0.8520
552 QUS 0.8519
553 B4O 0.8512
554 JTH 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CXS; Ligand: F6P; 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: 2cxs.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CXS; Ligand: F6P; 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: 2cxs.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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