Receptor
PDB id Resolution Class Description Source Keywords
4REL 1.75 Å EC: 2.4.1.115 CRYSTAL STRUCTURE OF UDP-GLUCOSE: ANTHOCYANIDIN 3-O- GLUCOSYLTRANSFERASE IN COMPLEX WITH KAEMPFEROL CLITORIA TERNATEA UGT78K6 GT-B FOLD GLUCOSYLTRANSFERASE COMPLEXED WITH KAEMTRANSFERASE
Ref.: STRUCTURAL BASIS FOR ACCEPTOR-SUBSTRATE RECOGNITION UDP-GLUCOSE: ANTHOCYANIDIN 3-O-GLUCOSYLTRANSFERASE CLITORIA TERNATEA PROTEIN SCI. V. 24 395 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KMP A:1001;
Valid;
none;
submit data
286.236 C15 H10 O6 c1cc(...
GOL A:1002;
A:1004;
A:1003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT A:1005;
A:1006;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4REL 1.75 Å EC: 2.4.1.115 CRYSTAL STRUCTURE OF UDP-GLUCOSE: ANTHOCYANIDIN 3-O- GLUCOSYLTRANSFERASE IN COMPLEX WITH KAEMPFEROL CLITORIA TERNATEA UGT78K6 GT-B FOLD GLUCOSYLTRANSFERASE COMPLEXED WITH KAEMTRANSFERASE
Ref.: STRUCTURAL BASIS FOR ACCEPTOR-SUBSTRATE RECOGNITION UDP-GLUCOSE: ANTHOCYANIDIN 3-O-GLUCOSYLTRANSFERASE CLITORIA TERNATEA PROTEIN SCI. V. 24 395 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4REL - KMP C15 H10 O6 c1cc(ccc1C....
2 4WHM - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4REL - KMP C15 H10 O6 c1cc(ccc1C....
2 4WHM - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4REL - KMP C15 H10 O6 c1cc(ccc1C....
2 4WHM - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 3HBF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 3HBJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 2C1X - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 2C9Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 2C1Z - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KMP; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 KMP 1 1
2 QUE 0.678571 0.967742
3 MYC 0.642857 0.967742
4 MRI 0.603448 1
5 IRH 0.59375 0.909091
6 CC6 0.532258 1
7 AFE 0.48 0.857143
8 AGI 0.444444 0.933333
9 GEN 0.4375 0.935484
10 J8G 0.426471 0.852941
11 SL0 0.418605 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: KMP; Similar ligands found: 654
No: Ligand Similarity coefficient
1 O9Z 0.9846
2 O9T 0.9840
3 CWE 0.9826
4 DH2 0.9782
5 NAR 0.9750
6 57D 0.9727
7 DQH 0.9716
8 MYU 0.9687
9 LU2 0.9659
10 3WL 0.9639
11 7LU 0.9634
12 SAK 0.9621
13 3JC 0.9608
14 KXN 0.9591
15 O9Q 0.9578
16 FSE 0.9557
17 6JP 0.9551
18 HWB 0.9528
19 DFV 0.9513
20 HUL 0.9495
21 6BK 0.9481
22 DDC 0.9461
23 J8D 0.9436
24 H2W 0.9434
25 E9L 0.9428
26 CDJ 0.9425
27 BUX 0.9424
28 A73 0.9420
29 DFL 0.9415
30 20D 0.9413
31 BHF 0.9413
32 6B5 0.9413
33 W8L 0.9411
34 OSY 0.9411
35 0H5 0.9410
36 H32 0.9406
37 1V1 0.9405
38 NU3 0.9405
39 34L 0.9403
40 VT3 0.9394
41 M3W 0.9388
42 L3L 0.9381
43 25F 0.9378
44 SGW 0.9374
45 SU9 0.9365
46 27F 0.9349
47 NKI 0.9347
48 WLH 0.9346
49 SZ5 0.9332
50 AJ4 0.9331
51 BJ4 0.9323
52 18E 0.9317
53 1UZ 0.9314
54 AX1 0.9313
55 AV6 0.9310
56 3WJ 0.9306
57 LVY 0.9304
58 RGK 0.9304
59 6GP 0.9302
60 1EL 0.9289
61 BRY 0.9287
62 6XC 0.9283
63 3F4 0.9283
64 AJ6 0.9282
65 5NN 0.9278
66 A63 0.9277
67 DX8 0.9276
68 3WK 0.9275
69 Y70 0.9274
70 6JM 0.9274
71 NYJ 0.9264
72 6TJ 0.9259
73 79X 0.9258
74 244 0.9257
75 3GX 0.9256
76 4GP 0.9255
77 5WW 0.9251
78 NOM 0.9250
79 4L2 0.9241
80 3TI 0.9232
81 E3U 0.9218
82 1Q4 0.9211
83 08C 0.9201
84 X2L 0.9198
85 7L4 0.9191
86 7VF 0.9190
87 RUG 0.9188
88 1HP 0.9186
89 D5F 0.9186
90 KOM 0.9185
91 LI7 0.9184
92 1R5 0.9183
93 DX7 0.9182
94 PP1 0.9178
95 1V4 0.9178
96 5DE 0.9177
97 0SX 0.9176
98 X8E 0.9175
99 LIG 0.9175
100 7EH 0.9175
101 3AK 0.9171
102 PZB 0.9169
103 F4U 0.9167
104 Q12 0.9165
105 Q11 0.9164
106 DXK 0.9163
107 YEX 0.9162
108 6QX 0.9161
109 F40 0.9161
110 4RV 0.9161
111 40N 0.9160
112 CUE 0.9152
113 PP2 0.9152
114 DX2 0.9141
115 1V3 0.9138
116 1V0 0.9137
117 BL7 0.9135
118 EF2 0.9135
119 7M5 0.9134
120 WST 0.9134
121 0OK 0.9132
122 TGW 0.9132
123 P4L 0.9130
124 91F 0.9128
125 4HG 0.9127
126 BL4 0.9126
127 FX5 0.9124
128 8M5 0.9121
129 9CE 0.9118
130 FL8 0.9115
131 SDN 0.9114
132 M16 0.9112
133 LP8 0.9109
134 7G2 0.9109
135 1V8 0.9109
136 15Q 0.9107
137 NW1 0.9105
138 UN9 0.9104
139 HH6 0.9103
140 P34 0.9101
141 OUA 0.9100
142 OUG 0.9098
143 97K 0.9098
144 YE7 0.9095
145 F36 0.9091
146 OX2 0.9088
147 DKX 0.9084
148 1TJ 0.9083
149 OTA 0.9082
150 3DE 0.9082
151 D64 0.9081
152 BL6 0.9080
153 A64 0.9075
154 7A9 0.9074
155 H75 0.9073
156 RHN 0.9071
157 QUG 0.9068
158 1UR 0.9068
159 6DQ 0.9067
160 3XL 0.9066
161 CJB 0.9065
162 338 0.9064
163 BIE 0.9062
164 7M2 0.9060
165 39Z 0.9059
166 COL 0.9057
167 4K2 0.9057
168 JOH 0.9054
169 697 0.9054
170 2QU 0.9052
171 78P 0.9050
172 22T 0.9050
173 6EL 0.9049
174 1UT 0.9049
175 68C 0.9046
176 OPA 0.9044
177 OA4 0.9042
178 OAL 0.9039
179 9K2 0.9039
180 3WN 0.9039
181 3WO 0.9039
182 0DF 0.9038
183 BU7 0.9036
184 7FC 0.9035
185 IDD 0.9033
186 IDZ 0.9031
187 789 0.9030
188 36K 0.9030
189 T5J 0.9026
190 6JO 0.9026
191 5P3 0.9026
192 B4L 0.9026
193 47X 0.9020
194 1FL 0.9018
195 19E 0.9018
196 ML2 0.9017
197 E6Q 0.9015
198 IMK 0.9015
199 Q5M 0.9009
200 5EZ 0.9009
201 6DE 0.9008
202 7EL 0.9008
203 SNJ 0.9005
204 D4O 0.8999
205 PIQ 0.8999
206 FHI 0.8997
207 FY8 0.8996
208 FNT 0.8996
209 041 0.8995
210 LI4 0.8995
211 O53 0.8994
212 272 0.8992
213 36I 0.8992
214 ASE 0.8991
215 JO5 0.8991
216 5E5 0.8990
217 HWH 0.8990
218 64F 0.8989
219 3UG 0.8989
220 2V4 0.8986
221 Q7U 0.8982
222 4NR 0.8979
223 K8W 0.8974
224 9OF 0.8974
225 4CN 0.8974
226 CUH 0.8973
227 ML1 0.8972
228 1AV 0.8970
229 8SK 0.8970
230 AIQ 0.8968
231 NIF 0.8966
232 MIL 0.8962
233 553 0.8960
234 AP6 0.8959
235 123 0.8954
236 K2C 0.8952
237 BZC 0.8952
238 334 0.8951
239 555 0.8951
240 5KN 0.8949
241 8HH 0.8948
242 8HG 0.8948
243 609 0.8947
244 3G5 0.8947
245 40W 0.8946
246 907 0.8946
247 51Y 0.8945
248 Q0K 0.8945
249 EES 0.8944
250 GPK 0.8944
251 ZRL 0.8944
252 AUE 0.8943
253 BIT 0.8943
254 39R 0.8940
255 797 0.8940
256 DL6 0.8939
257 21E 0.8937
258 CZ0 0.8936
259 9XZ 0.8935
260 6QT 0.8933
261 8E3 0.8930
262 XZ1 0.8930
263 CMG 0.8929
264 3QI 0.8928
265 NVS 0.8927
266 IXM 0.8927
267 EV2 0.8926
268 AUG 0.8926
269 TH1 0.8924
270 B2E 0.8924
271 TQ1 0.8923
272 2PW 0.8923
273 52F 0.8923
274 MQ1 0.8921
275 0O7 0.8920
276 EI1 0.8919
277 CU8 0.8919
278 AXX 0.8918
279 2QV 0.8917
280 YJX 0.8917
281 HRD 0.8916
282 GPU 0.8913
283 B7H 0.8912
284 NRA 0.8907
285 JFS 0.8905
286 FSU 0.8901
287 ZRK 0.8900
288 JTF 0.8900
289 IQW 0.8898
290 5ZM 0.8897
291 DE7 0.8897
292 KU1 0.8895
293 3CA 0.8893
294 2UV 0.8893
295 LZ7 0.8891
296 G2V 0.8890
297 IY5 0.8889
298 TVC 0.8888
299 MXM 0.8887
300 IK1 0.8886
301 5B2 0.8886
302 J2W 0.8885
303 DTQ 0.8885
304 INR 0.8885
305 M08 0.8884
306 L6Y 0.8884
307 XYP XYP 0.8884
308 X8I 0.8883
309 7G0 0.8882
310 IQZ 0.8881
311 4YF 0.8881
312 XYP XIM 0.8881
313 2ZI 0.8880
314 YK9 0.8877
315 29F 0.8872
316 2JX 0.8871
317 B2L 0.8871
318 2GQ 0.8869
319 AC2 0.8865
320 P83 0.8865
321 196 0.8865
322 ESM 0.8864
323 761 0.8863
324 01I 0.8862
325 XEZ 0.8861
326 KLV 0.8861
327 M9K 0.8861
328 BMZ 0.8860
329 MHB 0.8860
330 X0T 0.8859
331 ZAR 0.8858
332 H4B 0.8857
333 CDY 0.8856
334 QS4 0.8856
335 GQZ 0.8855
336 8EC 0.8855
337 LWS 0.8854
338 JNW 0.8853
339 06R 0.8852
340 6WL 0.8849
341 802 0.8848
342 120 0.8848
343 62D 0.8848
344 Q92 0.8846
345 GWD 0.8845
346 4L6 0.8845
347 6FX 0.8845
348 96Z 0.8844
349 HCC 0.8843
350 UAY 0.8842
351 I0D 0.8839
352 ECZ 0.8837
353 X2M 0.8837
354 EMU 0.8836
355 108 0.8835
356 LM7 0.8833
357 EVO 0.8833
358 92O 0.8832
359 OT4 0.8832
360 0MB 0.8832
361 8E6 0.8832
362 FZB 0.8827
363 5YA 0.8827
364 I0G 0.8826
365 2WU 0.8825
366 RDL 0.8823
367 NWD 0.8823
368 KS5 0.8822
369 27M 0.8819
370 0SY 0.8818
371 P9I 0.8818
372 IKY 0.8817
373 5WK 0.8817
374 XYS XYS 0.8815
375 3D8 0.8814
376 2UD 0.8813
377 5V7 0.8812
378 JSX 0.8812
379 AO 0.8810
380 C4E 0.8810
381 MT6 0.8810
382 KP2 0.8809
383 76P 0.8808
384 ALR 0.8808
385 397 0.8807
386 MG7 0.8805
387 HA6 0.8805
388 AZN 0.8805
389 TOL 0.8804
390 124 0.8803
391 S98 0.8802
392 CX6 0.8802
393 FCW 0.8801
394 2AN 0.8801
395 YE6 0.8798
396 8G6 0.8798
397 J84 0.8797
398 Q8G 0.8797
399 WG8 0.8795
400 PNX 0.8795
401 9JT 0.8795
402 T61 0.8794
403 5OR 0.8793
404 42R 0.8793
405 BER 0.8792
406 AJ8 0.8789
407 MR4 0.8789
408 ADN 0.8788
409 47V 0.8788
410 R4E 0.8787
411 PE2 0.8786
412 4B8 0.8786
413 57U 0.8785
414 TCW 0.8784
415 0NH 0.8784
416 69W 0.8783
417 CC5 0.8783
418 ECS 0.8782
419 5Z5 0.8782
420 HFT 0.8781
421 SQM 0.8780
422 H7S 0.8779
423 4ZF 0.8779
424 GN5 0.8779
425 LFN 0.8778
426 Q8D 0.8777
427 205 0.8776
428 5XM 0.8775
429 4GU 0.8775
430 OAQ 0.8774
431 5WT 0.8773
432 35K 0.8773
433 H2B 0.8772
434 A9B 0.8771
435 2OX 0.8769
436 TYP 0.8769
437 AOB 0.8769
438 HC8 0.8768
439 OQR 0.8767
440 HMO 0.8766
441 AQN 0.8766
442 U4J 0.8764
443 Q9G 0.8763
444 NPZ 0.8763
445 XDL XYP 0.8763
446 245 0.8761
447 KF5 0.8761
448 YZ9 0.8761
449 NAL 0.8759
450 FO2 0.8758
451 9KQ 0.8753
452 SLX 0.8753
453 74Z 0.8751
454 0FZ 0.8750
455 ZJB 0.8750
456 F18 0.8749
457 7FZ 0.8749
458 RPB 0.8746
459 31F 0.8745
460 4P9 0.8742
461 T34 0.8742
462 3Q0 0.8741
463 1CE 0.8740
464 JOB 0.8740
465 XAV 0.8737
466 HBI 0.8737
467 OAI 0.8736
468 H35 0.8734
469 LR2 0.8733
470 BK2 0.8733
471 PCG 0.8733
472 AVX 0.8731
473 QR2 0.8729
474 GVI 0.8726
475 GNG 0.8725
476 IPJ 0.8724
477 SIJ 0.8724
478 MRE 0.8723
479 3RH 0.8720
480 5I5 0.8720
481 JO8 0.8718
482 TVZ 0.8718
483 PJK 0.8718
484 NIY 0.8717
485 2FA 0.8715
486 H50 0.8715
487 FLF 0.8715
488 4UB 0.8714
489 35G 0.8713
490 NKH 0.8712
491 H4B NO 0.8711
492 QC1 0.8710
493 F08 0.8710
494 LJ5 0.8709
495 CFK 0.8709
496 8WB 0.8706
497 RNP 0.8706
498 JWS 0.8705
499 OJ7 0.8703
500 UN4 0.8703
501 CL9 0.8702
502 M77 0.8701
503 BHS 0.8701
504 GMP 0.8700
505 DLZ 0.8699
506 DEH 0.8696
507 T21 0.8696
508 TRP 0.8693
509 ARJ 0.8691
510 BGC BGC 0.8689
511 HKK 0.8689
512 1FE 0.8688
513 NOC 0.8688
514 5E1 0.8688
515 W2E 0.8688
516 ET0 0.8687
517 MZR 0.8687
518 S1D 0.8686
519 ICD 0.8685
520 J2Q 0.8685
521 4E3 0.8684
522 147 0.8683
523 CHV 0.8683
524 K4T 0.8683
525 VBC 0.8682
526 4E2 0.8681
527 CJN 0.8680
528 Z15 0.8679
529 4AB 0.8679
530 EST 0.8678
531 P2L 0.8678
532 1AJ 0.8677
533 5AD 0.8676
534 5P7 0.8674
535 K6N 0.8673
536 KN1 0.8670
537 RSV 0.8668
538 RFZ 0.8666
539 8UY 0.8665
540 II4 0.8664
541 GW3 0.8664
542 DN8 0.8664
543 CHJ 0.8662
544 4AU 0.8659
545 801 0.8658
546 3RP 0.8658
547 AFT 0.8656
548 ADL 0.8656
549 LZJ 0.8656
550 NAB 0.8652
551 TCR 0.8652
552 4V9 0.8652
553 CHQ 0.8651
554 4AJ 0.8651
555 IXG 0.8650
556 5E2 0.8649
557 K7H 0.8647
558 AJD 0.8646
559 RVE 0.8645
560 ZSP 0.8645
561 PVP 0.8644
562 FT6 0.8643
563 M9N 0.8643
564 2XY 0.8640
565 EQU 0.8639
566 6SZ 0.8638
567 IW6 0.8638
568 PZX 0.8637
569 517 0.8637
570 MR5 0.8636
571 STR 0.8636
572 IIH 0.8636
573 JKN 0.8635
574 ZEA 0.8633
575 DY9 0.8631
576 A05 0.8631
577 SGV 0.8630
578 362 0.8629
579 STL 0.8629
580 XIL 0.8628
581 5DN 0.8628
582 BXZ 0.8627
583 M3F 0.8624
584 JRO 0.8624
585 NXB 0.8624
586 E92 0.8624
587 CK8 0.8623
588 ZTW 0.8622
589 5XL 0.8621
590 1DR 0.8620
591 YL3 0.8619
592 2RB 0.8619
593 DBE 0.8619
594 S0J 0.8618
595 UUL 0.8617
596 LUM 0.8617
597 22L 0.8615
598 ITE 0.8614
599 Y0V 0.8611
600 1YL 0.8611
601 Y3J 0.8610
602 PNW 0.8610
603 7AA 0.8610
604 14I 0.8610
605 WUB 0.8609
606 NGV 0.8608
607 JHY 0.8607
608 EBB 0.8607
609 BBP 0.8607
610 S0G 0.8607
611 3Q1 0.8606
612 DMB 0.8606
613 CR4 0.8605
614 S60 0.8605
615 CUT 0.8604
616 EAA 0.8603
617 XYP XYS 0.8603
618 OSJ 0.8600
619 TQ3 0.8600
620 A07 0.8598
621 XYP XDN 0.8597
622 QNM 0.8597
623 DT7 0.8596
624 BGU 0.8592
625 M23 0.8585
626 785 0.8583
627 6KP 0.8582
628 CLI 0.8582
629 IRG 0.8579
630 4F8 0.8576
631 DBS 0.8574
632 B23 0.8570
633 HRM 0.8570
634 QME 0.8566
635 MUR 0.8561
636 113 0.8560
637 NE2 0.8560
638 AVA 0.8560
639 PNJ 0.8559
640 TXQ 0.8559
641 38E 0.8552
642 IMH 0.8548
643 AJ1 0.8547
644 AJG 0.8546
645 2Q0 0.8539
646 8XT 0.8532
647 MBT 0.8531
648 MNX 0.8530
649 SJR 0.8526
650 58N 0.8525
651 5F1 0.8519
652 IQQ 0.8519
653 64I 0.8513
654 6WS 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4REL; Ligand: KMP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4rel.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 6THT CIT 7.36434
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