Receptor
PDB id Resolution Class Description Source Keywords
6L1P 1.23 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHF20L1 IN COMPLEX WITH HIT 1 HOMO SAPIENS PHF20L1 TUDOR HIT1 METAL BINDING PROTEIN
Ref.: CONFORMATIONAL SELECTION IN LIGAND RECOGNITION BY T TUDOR DOMAIN OF PHF20L1. J PHYS CHEM LETT V. 11 7932 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
E3X A:101;
D:101;
C:101;
B:101;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.31 mM
189.254 C12 H15 N O CN1CC...
SO4 A:103;
C:103;
A:104;
C:102;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL A:102;
B:102;
Invalid;
Invalid;
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
6L1P 1.23 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PHF20L1 IN COMPLEX WITH HIT 1 HOMO SAPIENS PHF20L1 TUDOR HIT1 METAL BINDING PROTEIN
Ref.: CONFORMATIONAL SELECTION IN LIGAND RECOGNITION BY T TUDOR DOMAIN OF PHF20L1. J PHYS CHEM LETT V. 11 7932 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6L1P Kd = 0.31 mM E3X C12 H15 N O CN1CCC(=CC....
2 6L1F Kd = 0.67 mM ARG SER MLZ SER ASP GLY n/a n/a
3 6L0X - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6L1P Kd = 0.31 mM E3X C12 H15 N O CN1CCC(=CC....
2 6L1F Kd = 0.67 mM ARG SER MLZ SER ASP GLY n/a n/a
3 6L0X - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6L1P Kd = 0.31 mM E3X C12 H15 N O CN1CCC(=CC....
2 6L1F Kd = 0.67 mM ARG SER MLZ SER ASP GLY n/a n/a
3 6L0X - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: E3X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 E3X 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: E3X; Similar ligands found: 653
No: Ligand Similarity coefficient
1 4HB 1.0000
2 GVY 0.9885
3 2PK 0.9683
4 X48 0.9653
5 GT4 0.9633
6 2PV 0.9619
7 XCG 0.9607
8 B1J 0.9603
9 ERZ 0.9594
10 JAH 0.9555
11 TMG 0.9530
12 X0U 0.9512
13 A5E 0.9509
14 QIV 0.9509
15 AN3 0.9509
16 6FB 0.9504
17 FZM 0.9500
18 92G 0.9485
19 0BP 0.9463
20 JBZ 0.9463
21 6SD 0.9457
22 2QC 0.9455
23 KLS 0.9453
24 BP7 0.9447
25 C82 0.9444
26 SNU 0.9443
27 L03 0.9440
28 CPZ 0.9427
29 S0D 0.9423
30 3VQ 0.9422
31 FMQ 0.9421
32 MSR 0.9420
33 4I8 0.9417
34 GO2 0.9415
35 SWX 0.9411
36 ODK 0.9407
37 Y3L 0.9404
38 657 0.9401
39 C1M 0.9394
40 LR8 0.9392
41 A5H 0.9390
42 5H6 0.9389
43 TZF 0.9386
44 BNL 0.9384
45 PPY 0.9377
46 LO1 0.9376
47 AOT 0.9374
48 HX4 0.9374
49 3VS 0.9371
50 36Y 0.9365
51 50C 0.9363
52 HC4 0.9355
53 QME 0.9355
54 LZ5 0.9354
55 1Z6 0.9353
56 6P3 0.9353
57 ENO 0.9351
58 363 0.9346
59 2FX 0.9345
60 F4K 0.9330
61 ITE 0.9330
62 L2K 0.9330
63 A7H 0.9330
64 7MW 0.9329
65 EN1 0.9326
66 1FE 0.9321
67 JCZ 0.9319
68 27K 0.9310
69 1A5 0.9303
70 JA5 0.9293
71 KLE 0.9289
72 397 0.9287
73 5TY 0.9286
74 6KT 0.9284
75 5VU 0.9283
76 AJ1 0.9283
77 0SY 0.9281
78 PRL 0.9277
79 U13 0.9273
80 ZZA 0.9272
81 ALE 0.9269
82 BPY 0.9266
83 JMG 0.9266
84 PUE 0.9264
85 CXH 0.9262
86 S7S 0.9261
87 5LA 0.9258
88 GB5 0.9254
89 A51 0.9252
90 HNT 0.9249
91 0UL 0.9246
92 795 0.9243
93 TYR 0.9240
94 7O4 0.9240
95 P81 0.9239
96 94W 0.9238
97 C53 0.9237
98 GZ2 0.9234
99 36M 0.9233
100 F18 0.9233
101 ZRK 0.9231
102 XDK 0.9231
103 3R4 0.9230
104 7FU 0.9229
105 H75 0.9229
106 0K7 0.9226
107 4LW 0.9226
108 BVA 0.9222
109 BVS 0.9222
110 S60 0.9217
111 AJG 0.9217
112 ANC 0.9213
113 K7H 0.9212
114 3ZB 0.9199
115 613 0.9198
116 2D2 0.9191
117 KTJ 0.9187
118 HRM 0.9186
119 4BY 0.9186
120 RA7 0.9183
121 6QF 0.9178
122 PQM 0.9175
123 A9B 0.9175
124 9CA 0.9174
125 4BL 0.9173
126 RSV 0.9171
127 9NB 0.9166
128 YZ9 0.9163
129 4BF 0.9162
130 54E 0.9162
131 5E5 0.9161
132 M78 0.9154
133 1IT 0.9154
134 PJW 0.9154
135 G14 0.9154
136 BGU 0.9151
137 P7V 0.9150
138 NDD 0.9149
139 OQC 0.9148
140 TID 0.9145
141 833 0.9141
142 2WU 0.9141
143 BQ2 0.9140
144 F4E 0.9140
145 HXY 0.9137
146 PFF 0.9135
147 K80 0.9134
148 0FR 0.9134
149 9FL 0.9134
150 0NX 0.9131
151 S0E 0.9131
152 8D6 0.9131
153 JGB 0.9131
154 VC3 0.9130
155 6H2 0.9130
156 DRG 0.9129
157 IWT 0.9127
158 SQ7 0.9126
159 2J1 0.9126
160 5TT 0.9124
161 UNJ 0.9117
162 L22 0.9117
163 3VX 0.9116
164 ANF 0.9113
165 78Y 0.9113
166 DAH 0.9107
167 5GV 0.9107
168 2P3 0.9106
169 4FP 0.9106
170 FQX 0.9102
171 ESX 0.9099
172 HNH 0.9099
173 S98 0.9098
174 MR4 0.9097
175 J1K 0.9097
176 LJ3 0.9096
177 QBP 0.9095
178 FYR 0.9094
179 FHV 0.9093
180 H4B 0.9092
181 DTY 0.9087
182 1KN 0.9086
183 AA 0.9086
184 MR5 0.9082
185 A6W 0.9082
186 J6W 0.9078
187 A5Q 0.9075
188 ZEC 0.9074
189 1EB 0.9073
190 N4E 0.9073
191 HNK 0.9070
192 HNL 0.9070
193 MPV 0.9070
194 MXD 0.9069
195 RKV 0.9069
196 R9J 0.9068
197 JF8 0.9063
198 HPP 0.9062
199 80G 0.9061
200 4LV 0.9061
201 PH3 0.9061
202 LVD 0.9060
203 4FC 0.9058
204 EQW 0.9058
205 NE2 0.9057
206 4XF 0.9057
207 TYL 0.9052
208 4AU 0.9052
209 BZJ 0.9051
210 9FG 0.9051
211 WV7 0.9051
212 4V2 0.9050
213 CK2 0.9050
214 HCI 0.9049
215 PIY 0.9048
216 CX6 0.9046
217 I3E 0.9043
218 J9N 0.9043
219 CH9 0.9042
220 NY4 0.9041
221 PQS 0.9040
222 1A7 0.9040
223 ESP 0.9036
224 EES 0.9031
225 P4T 0.9030
226 BZ2 0.9028
227 SOJ 0.9028
228 0ON 0.9028
229 6MW 0.9027
230 9R5 0.9026
231 EUE 0.9024
232 OLU 0.9023
233 FCD 0.9022
234 TYE 0.9020
235 4FF 0.9020
236 3QV 0.9020
237 ZSP 0.9019
238 PIQ 0.9019
239 2JX 0.9019
240 BC5 0.9018
241 AOY 0.9017
242 N9J 0.9016
243 1XS 0.9014
244 YIP 0.9013
245 344 0.9013
246 4CN 0.9011
247 N91 0.9008
248 PHI 0.9007
249 ZHA 0.9007
250 FF2 0.9007
251 6J5 0.9006
252 BIK 0.9004
253 FTV 0.9004
254 56D 0.8999
255 C4E 0.8999
256 1DR 0.8998
257 ICB 0.8996
258 N0Z 0.8996
259 BZE 0.8995
260 MMS 0.8994
261 IS2 0.8991
262 4NP 0.8991
263 KYN 0.8990
264 6WR 0.8990
265 MR6 0.8989
266 8XL 0.8989
267 THA 0.8987
268 AMR 0.8983
269 11X 0.8983
270 8YH 0.8981
271 7VP 0.8980
272 68B 0.8978
273 1PS 0.8978
274 XI7 0.8974
275 ZYQ 0.8973
276 KMY 0.8971
277 TYC 0.8971
278 28A 0.8969
279 HNM 0.8968
280 E1T 0.8966
281 4FE 0.8966
282 4NS 0.8965
283 0OK 0.8964
284 CP6 0.8964
285 5OO 0.8960
286 5OR 0.8959
287 SLS 0.8958
288 YZM 0.8957
289 LGT 0.8955
290 MJW 0.8955
291 68A 0.8954
292 WA1 0.8953
293 TCA 0.8952
294 9JT 0.8951
295 HBO 0.8951
296 MUK 0.8950
297 4CF 0.8950
298 YE6 0.8947
299 5SJ 0.8946
300 36E 0.8944
301 XIZ 0.8944
302 1HN 0.8943
303 LR2 0.8941
304 PIM 0.8938
305 S0W 0.8935
306 4MB 0.8935
307 CC5 0.8932
308 Z70 0.8928
309 HL4 0.8928
310 428 0.8927
311 MPK 0.8923
312 PNP 0.8923
313 1L5 0.8921
314 JG8 0.8920
315 DHC 0.8919
316 5O6 0.8918
317 EZL 0.8916
318 5S9 0.8914
319 NK5 0.8912
320 P9E 0.8910
321 GJP 0.8909
322 D9Z 0.8909
323 MD6 0.8907
324 SNV 0.8906
325 DE5 0.8906
326 K3D 0.8903
327 R20 0.8902
328 DDU 0.8901
329 6ZX 0.8901
330 SV4 0.8901
331 ZYR 0.8898
332 PO6 0.8896
333 4RU 0.8895
334 FCW 0.8895
335 72D 0.8894
336 II4 0.8894
337 LUM 0.8893
338 4NB 0.8889
339 M3E 0.8888
340 47V 0.8887
341 TRP 0.8885
342 4GU 0.8884
343 RCV 0.8884
344 LQ2 0.8882
345 2HC 0.8882
346 IDZ 0.8881
347 MQN 0.8880
348 8NB 0.8880
349 26C 0.8880
350 SX2 0.8877
351 IYR 0.8877
352 7KE 0.8877
353 M4N 0.8877
354 9FH 0.8877
355 5B2 0.8876
356 IPO 0.8875
357 7N8 0.8874
358 PHE 0.8871
359 GB4 0.8870
360 NE1 0.8869
361 0JD 0.8869
362 FT6 0.8867
363 ZTW 0.8867
364 4BX 0.8866
365 5TU 0.8866
366 HHS 0.8866
367 1ZC 0.8864
368 CFA 0.8864
369 GOE 0.8863
370 P80 0.8863
371 6FG 0.8861
372 BIO 0.8861
373 3VW 0.8861
374 0DF 0.8860
375 FDR 0.8858
376 HDH 0.8853
377 15N 0.8853
378 1F1 0.8851
379 0NJ 0.8851
380 I2E 0.8847
381 HFA 0.8846
382 W29 0.8845
383 7G0 0.8844
384 R2P 0.8844
385 NFZ 0.8843
386 RNO 0.8842
387 8CC 0.8841
388 F02 0.8838
389 D3G 0.8835
390 AVX 0.8831
391 XYS XYS 0.8831
392 BRH 0.8829
393 SNO 0.8828
394 F90 0.8828
395 JAW 0.8826
396 8V8 0.8823
397 CHQ 0.8823
398 XIF XYP 0.8821
399 V1T 0.8819
400 6C5 0.8819
401 PCQ 0.8818
402 4ZF 0.8818
403 1HP 0.8817
404 4JQ 0.8816
405 9UL 0.8816
406 M45 0.8816
407 A29 0.8816
408 FHC 0.8815
409 0TU 0.8812
410 9CE 0.8809
411 EVF 0.8808
412 EAT 0.8807
413 LOT 0.8805
414 DPN 0.8802
415 L15 0.8800
416 0HN 0.8800
417 K4V 0.8800
418 OTR 0.8800
419 5AD 0.8799
420 NCT 0.8799
421 92P 0.8798
422 WLH 0.8798
423 15E 0.8796
424 3D8 0.8796
425 JDN 0.8794
426 NPS 0.8794
427 JB8 0.8791
428 5GT 0.8789
429 HQJ 0.8788
430 M5E 0.8788
431 2GQ 0.8788
432 4WL 0.8787
433 TT4 0.8786
434 TIH 0.8786
435 1VK 0.8786
436 7EH 0.8785
437 4G2 0.8784
438 X11 0.8784
439 4AF 0.8783
440 ZRL 0.8782
441 TJM 0.8781
442 KTW 0.8781
443 3AE 0.8779
444 ESI 0.8778
445 5TO 0.8775
446 SB7 0.8774
447 AHN 0.8773
448 2ZM 0.8773
449 2K8 0.8773
450 VUP 0.8773
451 M3H 0.8773
452 XYP XIF 0.8772
453 LR5 0.8771
454 6NT 0.8767
455 J38 0.8766
456 6C8 0.8766
457 AWE 0.8765
458 TCR 0.8765
459 97T 0.8764
460 3J8 0.8764
461 P4L 0.8764
462 SOR 0.8763
463 ARG 0.8762
464 ENW 0.8762
465 6FZ 0.8759
466 38E 0.8759
467 2LT 0.8758
468 4Z1 0.8757
469 TGX 0.8757
470 BHS 0.8756
471 L5V 0.8755
472 NFA 0.8754
473 3NY 0.8752
474 IIH 0.8751
475 4YO 0.8751
476 Q0K 0.8750
477 GO8 0.8750
478 9ZE 0.8749
479 XYP XYP 0.8749
480 HIS 0.8747
481 4AB 0.8747
482 20D 0.8746
483 6NI 0.8745
484 3A9 0.8745
485 1V1 0.8744
486 DXK 0.8744
487 JFS 0.8742
488 PH2 0.8740
489 6TZ 0.8740
490 0HO 0.8737
491 9KZ 0.8737
492 6L6 0.8734
493 0XR 0.8734
494 XIL 0.8733
495 XDL XYP 0.8733
496 GJG 0.8732
497 HWD 0.8732
498 XDN XYP 0.8732
499 XYP XDN 0.8732
500 27B 0.8729
501 E4P 0.8728
502 GF4 0.8727
503 H4E 0.8727
504 F40 0.8726
505 A73 0.8725
506 4UM 0.8725
507 Q04 0.8724
508 DUR 0.8724
509 ZEA 0.8723
510 ABI 0.8721
511 7G2 0.8721
512 4NZ 0.8720
513 L1T 0.8719
514 AZM 0.8718
515 0FK 0.8716
516 H2B 0.8715
517 JSX 0.8713
518 245 0.8713
519 DFL 0.8710
520 LL1 0.8709
521 TB8 0.8709
522 RUY 0.8708
523 492 0.8705
524 M5H 0.8703
525 D8Q 0.8702
526 A98 0.8702
527 WS7 0.8701
528 RYV 0.8701
529 64Z 0.8700
530 1Q1 0.8700
531 YE7 0.8700
532 SKF 0.8698
533 7FZ 0.8697
534 FBF 0.8697
535 8W9 0.8696
536 EXD 0.8695
537 4ZA 0.8694
538 MS9 0.8693
539 Z21 0.8692
540 NKI 0.8691
541 2B4 0.8690
542 KP2 0.8689
543 JRB 0.8689
544 CBE 0.8689
545 GVG 0.8689
546 Q06 0.8687
547 HHH 0.8685
548 AKG 0.8685
549 MP5 0.8681
550 HJ7 0.8681
551 3N0 0.8679
552 HHI 0.8678
553 QBS 0.8678
554 SJK 0.8677
555 PNZ 0.8677
556 A7N 0.8676
557 8ZE 0.8675
558 BBY 0.8675
559 FER 0.8671
560 S0A 0.8671
561 4TU 0.8667
562 AES 0.8666
563 SZ5 0.8666
564 BZQ 0.8664
565 5VL 0.8659
566 J9Q 0.8659
567 RP3 0.8658
568 61M 0.8658
569 E1K 0.8657
570 GGB 0.8656
571 B21 0.8652
572 1FL 0.8652
573 6C4 0.8650
574 ANN 0.8650
575 S1D 0.8645
576 GWM 0.8643
577 7EL 0.8643
578 XRS 0.8642
579 VM1 0.8642
580 IAC 0.8642
581 LNR 0.8641
582 6C9 0.8641
583 BX4 0.8641
584 72E 0.8640
585 EAE 0.8640
586 HBI 0.8639
587 8NX 0.8638
588 EE8 0.8636
589 120 0.8636
590 E7S 0.8635
591 4P5 0.8635
592 1V4 0.8634
593 BMZ 0.8633
594 801 0.8633
595 3F4 0.8632
596 272 0.8630
597 NAG 0.8629
598 KW7 0.8629
599 CSN 0.8628
600 K82 0.8628
601 M83 0.8628
602 FBC 0.8627
603 25F 0.8622
604 OGA 0.8622
605 BTM 0.8620
606 CNI 0.8620
607 IOP 0.8619
608 URO 0.8618
609 2UZ 0.8615
610 BSA 0.8612
611 TIA 0.8611
612 CWD 0.8607
613 THM 0.8606
614 9B3 0.8605
615 DCZ 0.8605
616 PLP 0.8601
617 5FL 0.8599
618 OHJ 0.8598
619 EST 0.8595
620 M1Z 0.8593
621 2BG 0.8592
622 9BF 0.8591
623 1M2 0.8586
624 XYS XYP 0.8584
625 K34 0.8583
626 SHI 0.8582
627 5F8 0.8580
628 EQU 0.8579
629 GJK 0.8578
630 52C 0.8577
631 BWD 0.8573
632 CR4 0.8572
633 BGP 0.8570
634 JP2 0.8567
635 MAJ 0.8567
636 SZ7 0.8566
637 4Z9 0.8566
638 H5B 0.8565
639 PBA 0.8562
640 P7Y 0.8562
641 0F3 0.8557
642 XIY 0.8553
643 5V7 0.8551
644 FWD 0.8545
645 124 0.8543
646 EWG 0.8542
647 FT2 0.8542
648 MOK 0.8539
649 IWD 0.8537
650 6T5 0.8534
651 HA5 0.8531
652 UAY 0.8530
653 N7I 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio4) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6L1P; Ligand: E3X; 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: 6l1p.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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