Receptor
PDB id Resolution Class Description Source Keywords
3T3Y 2 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF ALKB IN COMPLEX WITH FE(III) AND 2-(3- HYDROXYPICOLINOMIDO)ACETIC ACID ESCHERICHIA COLI DOUBLE-STRANDED BETA-HELIX NUCLEIC ACID DEMETHYLASE OXIDOROXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: DYNAMIC COMBINATORIAL MASS SPECTROMETRY LEADS TO IN OF A 2-OXOGLUTARATE-DEPENDENT NUCLEIC ACID DEMETHYL J.MED.CHEM. V. 55 2173 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:300;
 Part of Protein;
 none;
 submit data
55.845 Fe [Fe+3...
MD6 A:401;
 Valid;
 none;
 ic50 = 3.4 uM
196.16 C8 H8 N2 O4 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RFR 1.5 Å EC: 1.14.11.- COMPLEX STRUCTURE OF ALKB/RHEIN ESCHERICHIA COLI PROTEIN-INHIBITOR COMPLEX DEMETHYLATION ALKB FAMILY JELLYFOLD DEMETHYLASE NUCLEIC ACID BINDING NUCLEUS OXIDOREDUINHIBITOR COMPLEX
Ref.: RHEIN INHIBITS ALKB REPAIR ENZYMES AND SENSITIZES C METHYLATED DNA DAMAGE. J.BIOL.CHEM. V. 291 11083 2016
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 3T4V ic50 = 0.5 uM MD3 C16 H15 N O5 S c1ccc2cc(c....
2 3T4H ic50 = 5.2 uM MD5 C12 H12 N2 O7 S c1cc(cc(c1....
3 2FD8 - DT MA7 DT n/a n/a
4 6YPV - AKG C5 H6 O5 C(CC(=O)O)....
5 3T3Y ic50 = 3.4 uM MD6 C8 H8 N2 O4 c1cc(c(nc1....
6 3I3Q - AKG C5 H6 O5 C(CC(=O)O)....
7 2FDF - DT MA7 DT n/a n/a
8 2FDH - DT MA7 DT n/a n/a
9 3I2O - DT MA7 DT n/a n/a
10 2FDK - DT MA7 DT n/a n/a
11 2FDG - SIN C4 H6 O4 C(CC(=O)O)....
12 3I49 - DT ME6 DT n/a n/a
13 2FDJ - SIN C4 H6 O4 C(CC(=O)O)....
14 3I3M - DT ME6 DT n/a n/a
15 6Y0Q - AKG C5 H6 O5 C(CC(=O)O)....
16 2FDI - DT MA7 DT n/a n/a
17 4RFR Kd = 0.29 uM RHN C15 H8 O6 c1cc2c(c(c....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 3T4V ic50 = 0.5 uM MD3 C16 H15 N O5 S c1ccc2cc(c....
2 3T4H ic50 = 5.2 uM MD5 C12 H12 N2 O7 S c1cc(cc(c1....
3 2FD8 - DT MA7 DT n/a n/a
4 6YPV - AKG C5 H6 O5 C(CC(=O)O)....
5 3T3Y ic50 = 3.4 uM MD6 C8 H8 N2 O4 c1cc(c(nc1....
6 3I3Q - AKG C5 H6 O5 C(CC(=O)O)....
7 2FDF - DT MA7 DT n/a n/a
8 2FDH - DT MA7 DT n/a n/a
9 3I2O - DT MA7 DT n/a n/a
10 2FDK - DT MA7 DT n/a n/a
11 2FDG - SIN C4 H6 O4 C(CC(=O)O)....
12 3I49 - DT ME6 DT n/a n/a
13 2FDJ - SIN C4 H6 O4 C(CC(=O)O)....
14 3I3M - DT ME6 DT n/a n/a
15 6Y0Q - AKG C5 H6 O5 C(CC(=O)O)....
16 2FDI - DT MA7 DT n/a n/a
17 4RFR Kd = 0.29 uM RHN C15 H8 O6 c1cc2c(c(c....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3T4V ic50 = 0.5 uM MD3 C16 H15 N O5 S c1ccc2cc(c....
2 3T4H ic50 = 5.2 uM MD5 C12 H12 N2 O7 S c1cc(cc(c1....
3 2FD8 - DT MA7 DT n/a n/a
4 6YPV - AKG C5 H6 O5 C(CC(=O)O)....
5 3T3Y ic50 = 3.4 uM MD6 C8 H8 N2 O4 c1cc(c(nc1....
6 3I3Q - AKG C5 H6 O5 C(CC(=O)O)....
7 2FDF - DT MA7 DT n/a n/a
8 2FDH - DT MA7 DT n/a n/a
9 3I2O - DT MA7 DT n/a n/a
10 2FDK - DT MA7 DT n/a n/a
11 2FDG - SIN C4 H6 O4 C(CC(=O)O)....
12 3I49 - DT ME6 DT n/a n/a
13 2FDJ - SIN C4 H6 O4 C(CC(=O)O)....
14 3I3M - DT ME6 DT n/a n/a
15 6Y0Q - AKG C5 H6 O5 C(CC(=O)O)....
16 2FDI - DT MA7 DT n/a n/a
17 4RFR Kd = 0.29 uM RHN C15 H8 O6 c1cc2c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MD6; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MD6 1 1
2 A1Z 0.492063 0.862745
3 UN9 0.433333 0.830189
Similar Ligands (3D)
Ligand no: 1; Ligand: MD6; Similar ligands found: 921
No: Ligand Similarity coefficient
1 GO2 0.9721
2 2FX 0.9641
3 FCD 0.9626
4 3VX 0.9620
5 ZHA 0.9566
6 N91 0.9549
7 XI7 0.9483
8 QIV 0.9483
9 IOP 0.9479
10 THA 0.9474
11 GO8 0.9473
12 M5H 0.9473
13 KMY 0.9469
14 54X 0.9456
15 EQA 0.9441
16 E1T 0.9411
17 363 0.9407
18 Y3L 0.9405
19 3VQ 0.9403
20 B21 0.9390
21 EYV 0.9388
22 0JD 0.9380
23 SLS 0.9367
24 N1E 0.9367
25 PUE 0.9366
26 ONZ 0.9365
27 ANF 0.9361
28 ZZA 0.9360
29 2K8 0.9349
30 ZYQ 0.9349
31 5C1 0.9348
32 I2E 0.9346
33 TMG 0.9341
34 1VK 0.9340
35 61M 0.9337
36 PRO GLY 0.9337
37 3XH 0.9336
38 AA 0.9331
39 8HC 0.9328
40 X0U 0.9328
41 DRG 0.9327
42 6HO 0.9327
43 YE6 0.9324
44 9ZE 0.9323
45 9BF 0.9323
46 KYN 0.9321
47 15N 0.9317
48 3D3 0.9315
49 0OL 0.9313
50 LL1 0.9310
51 6KT 0.9307
52 NAG 0.9305
53 ZYR 0.9297
54 ODK 0.9295
55 G14 0.9295
56 ST3 0.9285
57 XCG 0.9284
58 6N4 0.9284
59 GZV 0.9279
60 3GV 0.9275
61 GJP 0.9268
62 JCZ 0.9266
63 FC2 0.9265
64 4I8 0.9255
65 92P 0.9255
66 JMG 0.9254
67 9R5 0.9253
68 6J5 0.9253
69 DHC 0.9250
70 KLE 0.9248
71 PQT 0.9247
72 G6P 0.9247
73 TSS 0.9244
74 M78 0.9242
75 1F1 0.9240
76 27B 0.9239
77 SKF 0.9239
78 BZJ 0.9238
79 BVS 0.9237
80 HA5 0.9230
81 9UL 0.9228
82 C0W 0.9228
83 4ZD 0.9227
84 LZ5 0.9227
85 KYA 0.9226
86 HHS 0.9224
87 7O4 0.9223
88 SNO 0.9218
89 36M 0.9218
90 0FK 0.9218
91 S7G 0.9216
92 GXG 0.9215
93 6MW 0.9214
94 V1T 0.9212
95 BIO 0.9211
96 5TY 0.9211
97 M4E 0.9205
98 0FR 0.9203
99 2GQ 0.9200
100 BZQ 0.9199
101 22L 0.9198
102 3VW 0.9197
103 AN3 0.9195
104 BQ2 0.9194
105 GOE 0.9193
106 TRP 0.9190
107 KDV 0.9185
108 GGB 0.9185
109 DNA 0.9184
110 4KL 0.9182
111 6FB 0.9182
112 ZSP 0.9179
113 5V7 0.9178
114 ST2 0.9176
115 1HN 0.9176
116 OA1 0.9170
117 PLP 0.9170
118 EYY 0.9170
119 8ZE 0.9169
120 7I2 0.9169
121 8XL 0.9166
122 1FE 0.9165
123 M5E 0.9164
124 3J8 0.9164
125 NK5 0.9159
126 IAC 0.9157
127 27K 0.9155
128 OQC 0.9155
129 TCR 0.9152
130 AMR 0.9151
131 F4E 0.9150
132 FF2 0.9150
133 PH2 0.9149
134 9F8 0.9149
135 ANC 0.9147
136 6QF 0.9147
137 SYE 0.9145
138 C82 0.9145
139 GZ2 0.9144
140 AUV 0.9143
141 0NX 0.9142
142 JB8 0.9140
143 PBN 0.9139
144 VC3 0.9138
145 CKA 0.9137
146 B56 0.9133
147 CHQ 0.9131
148 6NT 0.9131
149 30G 0.9128
150 5WT 0.9127
151 GXD 0.9126
152 BA5 0.9126
153 H4B 0.9123
154 6L6 0.9122
155 EV2 0.9122
156 D8Q 0.9122
157 RSV 0.9117
158 PYU 0.9116
159 CH9 0.9116
160 QMS 0.9115
161 0HN 0.9115
162 4AB 0.9115
163 2HC 0.9113
164 HBI 0.9112
165 K97 0.9112
166 SRO 0.9112
167 Q0K 0.9106
168 X48 0.9106
169 8NB 0.9106
170 RA7 0.9106
171 2P3 0.9105
172 ARP 0.9104
173 3H2 0.9104
174 TZP 0.9103
175 3IL 0.9103
176 5VU 0.9103
177 2JX 0.9101
178 N2M 0.9100
179 8MO 0.9100
180 PPN 0.9099
181 APS 0.9099
182 7MX 0.9097
183 IOS 0.9097
184 5F5 0.9096
185 2PV 0.9095
186 JP2 0.9094
187 4EU 0.9094
188 N2I 0.9093
189 HNT 0.9093
190 JAW 0.9091
191 EYJ 0.9090
192 YZM 0.9090
193 4RU 0.9089
194 LVP 0.9086
195 68A 0.9086
196 HHR 0.9084
197 9NB 0.9083
198 E1K 0.9083
199 H2B 0.9082
200 B41 0.9082
201 2ZM 0.9082
202 1PS 0.9080
203 FHV 0.9080
204 H5B 0.9079
205 HC4 0.9078
206 4AU 0.9073
207 FER 0.9073
208 5E5 0.9072
209 AZM 0.9072
210 ESX 0.9071
211 N0Z 0.9070
212 HA6 0.9070
213 4NP 0.9067
214 1A7 0.9067
215 BHS 0.9067
216 9JT 0.9066
217 MFZ 0.9065
218 RNO 0.9063
219 ITE 0.9063
220 BPY 0.9063
221 TSR 0.9062
222 AJ1 0.9062
223 LTN 0.9061
224 KP2 0.9059
225 0OK 0.9058
226 M6Z 0.9057
227 4MB 0.9056
228 3R4 0.9056
229 0HO 0.9055
230 PRF 0.9054
231 PEY 0.9054
232 BSA 0.9054
233 D2G 0.9053
234 AVA 0.9050
235 4BX 0.9050
236 A7H 0.9050
237 ARG 0.9050
238 BP7 0.9049
239 BIK 0.9048
240 NFM 0.9045
241 ZIP 0.9044
242 657 0.9044
243 EWG 0.9044
244 CUT 0.9044
245 2UD 0.9043
246 0OY 0.9042
247 1L5 0.9039
248 FDR 0.9038
249 ABF 0.9038
250 F5C 0.9037
251 TB8 0.9037
252 5NI 0.9035
253 S60 0.9034
254 ZME 0.9034
255 W81 0.9033
256 4Z9 0.9032
257 KLS 0.9029
258 2HU 0.9028
259 S0E 0.9028
260 JDN 0.9028
261 PMP 0.9026
262 3VS 0.9025
263 VM1 0.9025
264 12T 0.9024
265 6NI 0.9023
266 3SU 0.9023
267 7AP 0.9022
268 795 0.9021
269 PQ0 0.9021
270 PRL 0.9020
271 9CA 0.9020
272 4NS 0.9019
273 NDG 0.9017
274 4BL 0.9015
275 4YZ 0.9015
276 LEL 0.9012
277 CK2 0.9012
278 ENO 0.9012
279 PJW 0.9012
280 TXW 0.9010
281 3TC 0.9009
282 C2Y 0.9009
283 OSB 0.9008
284 SG2 0.9007
285 4TB 0.9007
286 J38 0.9005
287 ESP 0.9005
288 DAH 0.9004
289 S0D 0.9004
290 H4E 0.9003
291 5TZ 0.9003
292 6Q3 0.9002
293 TIA 0.9002
294 AJG 0.9002
295 1IT 0.9002
296 TOH 0.9001
297 78Y 0.9000
298 K82 0.9000
299 5F8 0.9000
300 5GT 0.8999
301 A5P 0.8999
302 5FL 0.8998
303 PIQ 0.8997
304 ZRK 0.8997
305 5H6 0.8997
306 3N1 0.8995
307 EUE 0.8994
308 CTE 0.8993
309 BGU 0.8993
310 XDE 0.8993
311 ALE 0.8993
312 3A9 0.8992
313 9FE 0.8990
314 CFA 0.8989
315 LGT 0.8989
316 D3G 0.8989
317 MP5 0.8987
318 DEW 0.8987
319 8YH 0.8986
320 JYT 0.8985
321 NFZ 0.8983
322 MS9 0.8983
323 0UL 0.8982
324 3NY 0.8979
325 BG6 0.8979
326 2KA 0.8978
327 BZ2 0.8978
328 HBO 0.8976
329 JBZ 0.8976
330 DTR 0.8975
331 JG8 0.8974
332 X04 0.8974
333 PLR 0.8973
334 5WN 0.8972
335 6C8 0.8972
336 GNM 0.8972
337 5XC 0.8972
338 537 0.8971
339 PLP PMP 0.8971
340 2PK 0.8970
341 5ER 0.8970
342 2JK 0.8970
343 N9J 0.8969
344 PPY 0.8967
345 N8Y 0.8967
346 4FE 0.8966
347 28S 0.8964
348 FQX 0.8962
349 BK9 0.8962
350 HRM 0.8961
351 11X 0.8961
352 MUX 0.8960
353 VXX 0.8960
354 F40 0.8959
355 4Z3 0.8958
356 EGV 0.8958
357 TCA 0.8958
358 8D6 0.8958
359 AES 0.8958
360 J6W 0.8957
361 7PJ 0.8956
362 1XS 0.8955
363 S8D 0.8955
364 S8G 0.8955
365 MAJ 0.8955
366 DEE 0.8954
367 NOK 0.8954
368 JXK 0.8954
369 NAL 0.8954
370 6FG 0.8953
371 L1T 0.8952
372 CIY 0.8952
373 NPA 0.8951
374 EN1 0.8951
375 EAE 0.8951
376 5B2 0.8951
377 BB4 0.8951
378 5OO 0.8950
379 5GV 0.8950
380 CK1 0.8950
381 DBS 0.8950
382 344 0.8950
383 LFQ 0.8949
384 ICB 0.8948
385 3QV 0.8948
386 1ER 0.8948
387 1QP 0.8947
388 4TU 0.8947
389 MS0 0.8946
390 KF5 0.8945
391 ZEA 0.8945
392 BDI 0.8945
393 1HR 0.8945
394 9FL 0.8944
395 N4E 0.8943
396 EE8 0.8943
397 MQB 0.8942
398 JF2 0.8942
399 K4V 0.8942
400 GDL 0.8941
401 6HP 0.8941
402 CSN 0.8940
403 EAJ 0.8936
404 22F 0.8936
405 MZM 0.8935
406 7MW 0.8935
407 327 0.8934
408 0K7 0.8932
409 YZ9 0.8932
410 ERZ 0.8932
411 9KZ 0.8931
412 HPT 0.8930
413 TYR 0.8929
414 ICO 0.8928
415 HXY 0.8926
416 ZON 0.8924
417 N7I 0.8924
418 ESI 0.8923
419 96Z 0.8923
420 A9B 0.8923
421 FZM 0.8922
422 KTW 0.8922
423 CS2 0.8921
424 D9Z 0.8921
425 47V 0.8921
426 2D2 0.8921
427 XIZ 0.8921
428 4BY 0.8921
429 7EH 0.8920
430 CUH 0.8920
431 535 0.8920
432 E7S 0.8918
433 DK1 0.8918
434 PNP 0.8918
435 PXP 0.8918
436 HPP 0.8918
437 428 0.8917
438 3GZ 0.8916
439 P9E 0.8914
440 5RO 0.8914
441 UFO 0.8914
442 KLV 0.8913
443 EUH 0.8913
444 833 0.8910
445 0SY 0.8910
446 67Y 0.8910
447 SJK 0.8909
448 E3X 0.8907
449 7FU 0.8907
450 ZEZ 0.8907
451 ZEC 0.8906
452 HLP 0.8906
453 B2E 0.8905
454 DXK 0.8905
455 CBE 0.8904
456 8Y7 0.8904
457 AHC 0.8904
458 78U 0.8903
459 IQ5 0.8902
460 A5H 0.8902
461 4LW 0.8901
462 L03 0.8901
463 CXH 0.8901
464 QBP 0.8899
465 XFE 0.8899
466 PNZ 0.8898
467 IL5 0.8898
468 6J9 0.8898
469 E9S 0.8898
470 A7N 0.8898
471 IWT 0.8898
472 94W 0.8898
473 4CN 0.8897
474 EGR 0.8897
475 2BG 0.8897
476 Z21 0.8897
477 M4N 0.8896
478 C53 0.8896
479 2LY 0.8896
480 848 0.8895
481 YOF 0.8895
482 I3E 0.8894
483 AAN 0.8893
484 MSR 0.8893
485 4BZ 0.8892
486 L22 0.8892
487 EVF 0.8892
488 D1Y 0.8889
489 5PV 0.8888
490 CLU 0.8888
491 CWJ 0.8887
492 STT 0.8885
493 C9E 0.8885
494 PPT 0.8885
495 4R1 0.8884
496 HSX 0.8884
497 DHY 0.8884
498 0LO 0.8879
499 WV7 0.8879
500 K48 0.8879
501 GJK 0.8878
502 4NB 0.8878
503 6C4 0.8878
504 4HB 0.8877
505 TYL 0.8874
506 AP6 0.8874
507 H35 0.8874
508 1AJ 0.8874
509 0DF 0.8874
510 K7H 0.8873
511 JY2 0.8873
512 ABI 0.8872
513 5SJ 0.8872
514 1EB 0.8872
515 JF1 0.8871
516 52F 0.8870
517 VUP 0.8870
518 P7Y 0.8870
519 DNF 0.8870
520 6SD 0.8869
521 A5E 0.8869
522 YE7 0.8869
523 3ZB 0.8869
524 492 0.8868
525 II4 0.8868
526 MMS 0.8867
527 4V2 0.8866
528 CPZ 0.8865
529 IQZ 0.8864
530 TOM 0.8864
531 LVD 0.8863
532 2KU 0.8863
533 LR2 0.8863
534 LQ2 0.8863
535 6ZX 0.8862
536 LDP 0.8862
537 RKV 0.8861
538 H7Y 0.8861
539 ATX 0.8860
540 P81 0.8860
541 2UZ 0.8859
542 B1J 0.8858
543 MXD 0.8857
544 P93 0.8857
545 3XR 0.8857
546 EQW 0.8856
547 6VD 0.8854
548 P1J 0.8853
549 4FF 0.8853
550 U2Z 0.8852
551 P7V 0.8852
552 ETV 0.8852
553 KCH 0.8851
554 DJN 0.8851
555 3LJ 0.8850
556 5LD 0.8850
557 AC2 0.8850
558 M3P 0.8850
559 CX4 0.8850
560 ODO 0.8849
561 FT6 0.8848
562 6FZ 0.8848
563 F9Y 0.8847
564 PBA 0.8846
565 MQN 0.8844
566 U7E 0.8844
567 NGA 0.8844
568 TU0 0.8842
569 DX5 0.8840
570 XIY 0.8840
571 M6P 0.8839
572 NLA 0.8839
573 5TO 0.8839
574 A2G 0.8837
575 4TP 0.8837
576 TZM 0.8834
577 JGY 0.8834
578 MUK 0.8834
579 OOG 0.8834
580 7L4 0.8833
581 SQV 0.8833
582 JF8 0.8832
583 2O6 0.8832
584 HX8 0.8832
585 15E 0.8831
586 MQG 0.8831
587 UNJ 0.8829
588 NDD 0.8829
589 2QU 0.8828
590 0TU 0.8828
591 GLP 0.8828
592 7ZL 0.8826
593 3IB 0.8826
594 6C9 0.8826
595 YTX 0.8825
596 Q5M 0.8825
597 YIE 0.8825
598 P80 0.8825
599 8CC 0.8825
600 QBM 0.8825
601 LIG 0.8824
602 B5A 0.8823
603 JXW 0.8822
604 RD4 0.8822
605 BGP 0.8821
606 1M2 0.8821
607 HSA 0.8821
608 6C5 0.8819
609 55D 0.8819
610 ANN 0.8819
611 HWD 0.8817
612 ASE 0.8816
613 J1K 0.8815
614 CC5 0.8815
615 S0W 0.8814
616 NQH 0.8814
617 4Z1 0.8814
618 GB4 0.8814
619 A6W 0.8814
620 3Y7 0.8813
621 2J1 0.8808
622 44V 0.8807
623 R20 0.8806
624 2FQ 0.8805
625 TT4 0.8805
626 HH6 0.8803
627 AZY 0.8802
628 TYE 0.8800
629 2QC 0.8800
630 A29 0.8800
631 SNU 0.8799
632 7VP 0.8799
633 X0T 0.8799
634 M6H 0.8799
635 LTT 0.8799
636 D1G 0.8797
637 S0F 0.8797
638 9FH 0.8796
639 22T 0.8796
640 HWH 0.8795
641 49P 0.8795
642 5OB 0.8793
643 H75 0.8791
644 FUD 0.8791
645 QH3 0.8790
646 DPT 0.8790
647 LR8 0.8789
648 2J5 0.8789
649 IQQ 0.8789
650 OLU 0.8789
651 2WU 0.8789
652 Q4G 0.8788
653 L5D 0.8787
654 46P 0.8785
655 68B 0.8785
656 GNR 0.8785
657 4YO 0.8784
658 FWD 0.8784
659 K68 0.8784
660 5WS 0.8783
661 LDR 0.8782
662 GHQ 0.8782
663 4XF 0.8782
664 LL2 0.8781
665 HX4 0.8781
666 DX2 0.8780
667 KW8 0.8780
668 RVE 0.8780
669 6ME 0.8780
670 6DQ 0.8779
671 F06 0.8779
672 1QV 0.8778
673 4JQ 0.8778
674 PZP 0.8776
675 ITW 0.8776
676 TJM 0.8776
677 8WT 0.8775
678 92G 0.8775
679 C0H 0.8773
680 GNV 0.8773
681 EXG 0.8773
682 4WL 0.8772
683 HJ7 0.8772
684 KTJ 0.8772
685 R9Y 0.8771
686 S98 0.8770
687 9AP 0.8770
688 CUW 0.8769
689 8W9 0.8769
690 XRS 0.8769
691 K3Q 0.8769
692 M3Q 0.8768
693 YF3 0.8767
694 C9M 0.8767
695 1ZC 0.8766
696 F4K 0.8766
697 3IP 0.8764
698 XDK 0.8763
699 0FN 0.8762
700 3W8 0.8762
701 LO1 0.8762
702 5NN 0.8760
703 KLK 0.8758
704 JFM 0.8757
705 EV3 0.8754
706 M02 0.8752
707 OTA 0.8752
708 92O 0.8751
709 5LA 0.8749
710 AHN 0.8748
711 NIY 0.8748
712 DX7 0.8748
713 PHE 0.8747
714 NIR 0.8747
715 PO6 0.8745
716 4MP 0.8744
717 M7P 0.8744
718 QR2 0.8744
719 OTR 0.8744
720 GF4 0.8743
721 JXT 0.8743
722 SB7 0.8742
723 PA5 0.8742
724 DQU 0.8742
725 UN1 0.8741
726 HL4 0.8741
727 CG 0.8740
728 QX4 0.8739
729 BPU 0.8739
730 LNR 0.8739
731 C4E 0.8738
732 BNF 0.8736
733 B62 0.8736
734 5RP 0.8734
735 XHP 0.8733
736 LP8 0.8732
737 BNX 0.8730
738 OPA 0.8730
739 1SF 0.8730
740 GVY 0.8730
741 FHC 0.8730
742 1V3 0.8730
743 5DL 0.8729
744 HCI 0.8727
745 OW7 0.8727
746 44W 0.8727
747 GB5 0.8726
748 8U3 0.8724
749 NRA 0.8720
750 A6P 0.8719
751 ONR 0.8718
752 549 0.8717
753 0BP 0.8714
754 28A 0.8712
755 BY5 0.8711
756 BZ3 0.8711
757 DTY 0.8710
758 ZRL 0.8710
759 6ZW 0.8709
760 505 0.8708
761 VFG 0.8708
762 56D 0.8707
763 JAH 0.8707
764 P4L 0.8707
765 DAR 0.8707
766 5O6 0.8704
767 YPN 0.8701
768 B0K 0.8700
769 L07 0.8699
770 FUZ 0.8697
771 S8A 0.8696
772 3GX 0.8696
773 5AD 0.8695
774 P0P 0.8694
775 268 0.8693
776 TID 0.8692
777 GNW 0.8691
778 0J5 0.8690
779 M83 0.8690
780 EMU 0.8687
781 QIF 0.8687
782 Q9T 0.8686
783 MPV 0.8686
784 L1O 0.8685
785 SQ7 0.8685
786 11C 0.8684
787 0F3 0.8684
788 L21 0.8682
789 A51 0.8682
790 JGB 0.8681
791 F90 0.8681
792 XQI 0.8680
793 CWD 0.8679
794 X2M 0.8677
795 S1D 0.8677
796 PH3 0.8677
797 MFR 0.8675
798 96R 0.8674
799 J9N 0.8674
800 EXD 0.8674
801 8NX 0.8674
802 BL0 0.8673
803 E6Q 0.8673
804 3AE 0.8665
805 39Z 0.8665
806 IWD 0.8661
807 NPL 0.8661
808 MPP 0.8661
809 LJ3 0.8660
810 JWS 0.8658
811 SQM 0.8658
812 GOJ 0.8658
813 DHR 0.8657
814 3D8 0.8656
815 SOJ 0.8653
816 0J4 0.8652
817 A7Q 0.8652
818 YIP 0.8652
819 F1P 0.8650
820 9CE 0.8650
821 SQ4 0.8649
822 BNL 0.8649
823 VBC 0.8648
824 ALX 0.8647
825 TZF 0.8647
826 MRW 0.8646
827 4CM 0.8645
828 2LW 0.8645
829 6P3 0.8643
830 ZZU 0.8643
831 JTA 0.8642
832 36E 0.8641
833 4G2 0.8640
834 80G 0.8639
835 FBF 0.8638
836 OTW 0.8637
837 GC2 0.8637
838 EQU 0.8637
839 BWD 0.8637
840 NBV 0.8637
841 CX6 0.8636
842 KDG 0.8635
843 S0G 0.8634
844 9LI 0.8634
845 HJH 0.8633
846 0FO 0.8632
847 BZM 0.8631
848 259 0.8630
849 2LT 0.8629
850 PVQ 0.8627
851 ET0 0.8627
852 MKN 0.8626
853 E1P 0.8626
854 4NR 0.8625
855 CGW 0.8625
856 HMZ 0.8624
857 1V4 0.8623
858 LFN 0.8621
859 MVN 0.8620
860 5SP 0.8620
861 1DR 0.8620
862 FK8 0.8617
863 2HQ 0.8616
864 NPX 0.8616
865 A73 0.8615
866 GZL 0.8613
867 ENG 0.8612
868 LSQ 0.8611
869 IYR 0.8611
870 CXP 0.8611
871 3R6 0.8611
872 JHY 0.8611
873 2FY 0.8610
874 TGX 0.8607
875 QUB 0.8605
876 JF5 0.8603
877 PVK 0.8603
878 S3C 0.8603
879 DDU 0.8603
880 AJY 0.8601
881 SZ7 0.8598
882 3C5 0.8598
883 42J 0.8597
884 PAU 0.8596
885 LR5 0.8592
886 0W1 0.8590
887 HAR 0.8590
888 YRL 0.8588
889 BHQ 0.8587
890 774 0.8585
891 5XL 0.8583
892 4VY 0.8583
893 5RN 0.8582
894 2L1 0.8582
895 A5Q 0.8581
896 S7J 0.8580
897 BBK 0.8576
898 8RK 0.8576
899 Y0V 0.8575
900 F2W 0.8573
901 EES 0.8573
902 1P8 0.8572
903 X11 0.8571
904 1Q4 0.8571
905 JXQ 0.8570
906 LUM 0.8563
907 CPW 0.8559
908 CR1 0.8553
909 BVA 0.8551
910 4NZ 0.8549
911 54E 0.8545
912 CNI 0.8542
913 IQW 0.8535
914 3Z8 0.8534
915 IBP 0.8532
916 WSD 0.8531
917 4ZA 0.8528
918 I59 0.8526
919 5WZ 0.8524
920 DT7 0.8520
921 K25 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RFR; Ligand: RHN; 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: 4rfr.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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