Receptor
PDB id Resolution Class Description Source Keywords
4NI1 1.9 Å NON-ENZYME: TRANSPORT QAUTERNARY R CO-LIGANDED HEMOGLOBIN STRUCTURE IN COMPLEX WIT CONTAINING COMPOUND HOMO SAPIENS ALLOSTERIC TETRAMER OXYGEN TRANSPORT RELAXED STATE TENSEGLOBIN FOLD RED BLOOD CELL
Ref.: IDENTIFICATION OF A SMALL MOLECULE THAT INCREASES H OXYGEN AFFINITY AND REDUCES SS ERYTHROCYTE SICKLING ACS CHEM.BIOL. V. 9 2318 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM B:202;
A:202;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
CMO A:201;
B:201;
 Invalid;
Invalid;
 none;
none;
 submit data
28.01 C O [C-]#...
2JX A:203;
B:203;
B:204;
A:204;
 Valid;
Invalid;
Invalid;
Valid;
 none;
none;
none;
none;
 submit data
235.262 C10 H9 N3 O2 S c1ccc...
MBN A:205;
A:206;
 Invalid;
Invalid;
 none;
none;
 submit data
92.138 C7 H8 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D5Z 1.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF T-STATE HUMAN HEMOGLOBIN COMPLEXED WITH THREE L35 MOLECULES HOMO SAPIENS HEMOGLOBIN L35 ALLOSTERIC EFFECTOR CRYSTAL STRUCTURE OXYGEN STORAGE/TRANSPORT COMPLEX
Ref.: R-STATE HAEMOGLOBIN WITH LOW OXYGEN AFFINITY: CRYSTAL STRUCTURES OF DEOXY HUMAN AND CARBONMONOXY HORSE HAEMOGLOBIN BOUND TO THE EFFECTOR MOLECULE L35 J.MOL.BIOL. V. 356 790 2006
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4NI1 - 2JX C10 H9 N3 O2 S c1ccc2c(c1....
2 2D60 - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
3 1G9V - RQ3 C20 H23 N O4 Cc1cc(cc(c....
4 5KDQ - KOH C12 H11 Cl N2 O3 c1cc(c(cc1....
5 3WHM - O4B C12 H24 O6 C1COCCOCCO....
6 7JJQ - K7M C9 H13 N O C[C@H](Cc1....
7 4NI0 - 2P3 C10 H9 N3 O2 S c1ccc2c(c1....
8 4M4B - NOE C2 H5 N O CCN=O
9 5E6E - MBN C7 H8 Cc1ccccc1
10 2D5Z - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
11 5E29 - 5JN C22 H26 N2 O7 Cc1cc(cc(c....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4NI1 - 2JX C10 H9 N3 O2 S c1ccc2c(c1....
2 2D60 - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
3 1G9V - RQ3 C20 H23 N O4 Cc1cc(cc(c....
4 5KDQ - KOH C12 H11 Cl N2 O3 c1cc(c(cc1....
5 3WHM - O4B C12 H24 O6 C1COCCOCCO....
6 7JJQ - K7M C9 H13 N O C[C@H](Cc1....
7 4NI0 - 2P3 C10 H9 N3 O2 S c1ccc2c(c1....
8 4M4B - NOE C2 H5 N O CCN=O
9 5E6E - MBN C7 H8 Cc1ccccc1
10 2D5Z - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
11 5E29 - 5JN C22 H26 N2 O7 Cc1cc(cc(c....
12 2D5X - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4NI1 - 2JX C10 H9 N3 O2 S c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2JX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2JX 1 1
2 2P3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2JX; Similar ligands found: 922
No: Ligand Similarity coefficient
1 JCZ 0.9747
2 363 0.9557
3 PIQ 0.9546
4 XCG 0.9540
5 0OK 0.9535
6 PRL 0.9529
7 0UL 0.9527
8 EV2 0.9525
9 NAL 0.9516
10 S0D 0.9499
11 833 0.9491
12 2GQ 0.9488
13 5E5 0.9480
14 TMG 0.9466
15 FCW 0.9464
16 4CN 0.9456
17 RSV 0.9445
18 TRP 0.9433
19 F40 0.9411
20 NKI 0.9399
21 6FB 0.9391
22 OLU 0.9381
23 2FX 0.9375
24 4AU 0.9372
25 H7S 0.9372
26 7L4 0.9367
27 3D1 0.9366
28 0SY 0.9359
29 ZRK 0.9359
30 A73 0.9356
31 25F 0.9351
32 AVX 0.9351
33 5F1 0.9350
34 GO2 0.9346
35 SZ5 0.9341
36 RGK 0.9336
37 1V1 0.9334
38 CC5 0.9332
39 WLH 0.9331
40 47V 0.9328
41 2QV 0.9325
42 3F4 0.9324
43 3VS 0.9322
44 6DQ 0.9316
45 Q4G 0.9314
46 2PV 0.9313
47 YE7 0.9307
48 LIG 0.9303
49 20D 0.9302
50 KWB 0.9301
51 HH6 0.9301
52 A9B 0.9296
53 C4E 0.9292
54 5B2 0.9290
55 YE6 0.9288
56 DXK 0.9286
57 LL1 0.9286
58 KLS 0.9284
59 0DF 0.9284
60 P4L 0.9282
61 9CE 0.9280
62 5S9 0.9279
63 FZM 0.9277
64 9JT 0.9275
65 ZZA 0.9268
66 DFL 0.9267
67 4I8 0.9266
68 IOP 0.9265
69 42R 0.9263
70 6SD 0.9261
71 QME 0.9258
72 5TZ 0.9258
73 5FL 0.9255
74 H75 0.9254
75 2PK 0.9250
76 HRM 0.9248
77 G14 0.9245
78 NK5 0.9242
79 2QU 0.9241
80 7EH 0.9240
81 272 0.9232
82 5F8 0.9232
83 Y3L 0.9229
84 L2K 0.9228
85 II4 0.9227
86 FYR 0.9226
87 KF5 0.9226
88 CUH 0.9226
89 JMG 0.9221
90 TCR 0.9220
91 LTN 0.9219
92 49P 0.9219
93 9VZ 0.9218
94 4FC 0.9217
95 DBE 0.9217
96 6C8 0.9216
97 X2M 0.9214
98 XI7 0.9212
99 AP6 0.9210
100 4Z9 0.9209
101 0FR 0.9208
102 FY8 0.9207
103 XIF XYP 0.9203
104 FPL 0.9197
105 MJ5 0.9196
106 SJR 0.9194
107 CH8 0.9194
108 78Y 0.9191
109 VM1 0.9190
110 ADN 0.9189
111 5AD 0.9189
112 5VU 0.9186
113 D64 0.9185
114 1FE 0.9181
115 KP2 0.9181
116 BP7 0.9180
117 K7H 0.9180
118 QIV 0.9179
119 ZSP 0.9178
120 52F 0.9175
121 4FF 0.9175
122 6MW 0.9175
123 2D2 0.9174
124 5V7 0.9172
125 IQW 0.9172
126 B41 0.9172
127 D25 0.9167
128 1HP 0.9166
129 DHC 0.9165
130 VC3 0.9165
131 ARJ 0.9164
132 RKV 0.9164
133 5F5 0.9162
134 A5H 0.9161
135 MJW 0.9160
136 M3W 0.9160
137 3IP 0.9159
138 LZ5 0.9159
139 3D8 0.9157
140 VT3 0.9157
141 1V4 0.9157
142 4NR 0.9154
143 AVA 0.9154
144 BQ2 0.9153
145 FT6 0.9151
146 3GX 0.9151
147 4EU 0.9149
148 8CC 0.9148
149 LI7 0.9143
150 A6W 0.9141
151 X48 0.9140
152 JSX 0.9140
153 5NN 0.9139
154 3CA 0.9138
155 AD3 0.9138
156 CUQ 0.9137
157 6P3 0.9137
158 22L 0.9136
159 ZRL 0.9133
160 9NB 0.9133
161 M4N 0.9133
162 J38 0.9132
163 4ZF 0.9131
164 OJD 0.9130
165 H4B 0.9130
166 CU8 0.9130
167 1EB 0.9128
168 L1T 0.9127
169 0XR 0.9127
170 YZ9 0.9126
171 BBY 0.9126
172 YIP 0.9125
173 XYP XIF 0.9125
174 6J5 0.9124
175 BMC 0.9123
176 PUE 0.9121
177 H2W 0.9121
178 TID 0.9121
179 W8L 0.9120
180 9UL 0.9120
181 FMQ 0.9119
182 1OH 0.9118
183 3VQ 0.9118
184 I2E 0.9117
185 0ON 0.9114
186 9BF 0.9113
187 0QA 0.9112
188 848 0.9110
189 CX6 0.9109
190 L5D 0.9108
191 9FH 0.9107
192 XYP XYP 0.9107
193 IQQ 0.9106
194 Q0K 0.9106
195 MD6 0.9101
196 DAH 0.9098
197 KLE 0.9097
198 LR2 0.9097
199 HNT 0.9097
200 3VX 0.9097
201 TJM 0.9097
202 4GU 0.9097
203 2OH 0.9093
204 CDJ 0.9092
205 EF2 0.9089
206 39Z 0.9088
207 1XS 0.9087
208 E9L 0.9086
209 1V3 0.9084
210 CBE 0.9083
211 6FG 0.9083
212 11X 0.9083
213 68B 0.9081
214 6H2 0.9079
215 QR2 0.9076
216 AJG 0.9076
217 FF2 0.9072
218 XDL XYP 0.9070
219 LVY 0.9070
220 K48 0.9069
221 CHQ 0.9069
222 N1E 0.9068
223 8OB 0.9068
224 MIL 0.9068
225 RVE 0.9067
226 AJ6 0.9067
227 8D6 0.9067
228 5SJ 0.9066
229 ITE 0.9066
230 NEU 0.9064
231 S1D 0.9063
232 S0G 0.9061
233 JVD 0.9057
234 AMR 0.9057
235 1Q4 0.9056
236 M5H 0.9056
237 2UD 0.9054
238 6KT 0.9054
239 6EL 0.9054
240 F18 0.9054
241 U13 0.9053
242 EWG 0.9053
243 X0U 0.9053
244 3W1 0.9053
245 GVY 0.9050
246 GEN 0.9050
247 4G2 0.9050
248 7MW 0.9047
249 AGI 0.9046
250 91F 0.9045
251 JF8 0.9045
252 2QC 0.9045
253 3JC 0.9044
254 HC4 0.9043
255 57D 0.9042
256 BZQ 0.9042
257 C53 0.9042
258 JOB 0.9042
259 6QT 0.9041
260 BGU 0.9040
261 VBC 0.9039
262 DTR 0.9039
263 4BY 0.9038
264 96Z 0.9035
265 G2V 0.9032
266 IDZ 0.9032
267 XYP XDN 0.9032
268 BIO 0.9031
269 AJ4 0.9031
270 FHV 0.9029
271 7O4 0.9029
272 ODK 0.9028
273 0K7 0.9027
274 M78 0.9027
275 KW7 0.9026
276 1FL 0.9026
277 3SU 0.9023
278 LP8 0.9022
279 5CD 0.9022
280 397 0.9021
281 3WJ 0.9021
282 2WU 0.9021
283 92G 0.9019
284 IOS 0.9019
285 E3X 0.9019
286 WG8 0.9019
287 LR8 0.9018
288 NIY 0.9018
289 AUV 0.9016
290 XIL 0.9015
291 DFV 0.9014
292 SNJ 0.9014
293 TI7 0.9014
294 22T 0.9013
295 M2E 0.9013
296 XYS XYS 0.9013
297 5OO 0.9013
298 JP2 0.9011
299 IAC 0.9011
300 6WR 0.9010
301 M83 0.9010
302 STV 0.9010
303 DDC 0.9009
304 TZM 0.9009
305 3IL 0.9006
306 5H6 0.9002
307 FQX 0.9001
308 MMS 0.9000
309 BIK 0.9000
310 V1T 0.8998
311 DX2 0.8998
312 Q92 0.8998
313 EAT 0.8998
314 A7Q 0.8997
315 AOY 0.8995
316 LEL 0.8995
317 SKF 0.8994
318 HBI 0.8994
319 4FE 0.8993
320 ERZ 0.8993
321 TVC 0.8991
322 AUG 0.8991
323 2L1 0.8990
324 5C1 0.8990
325 FCD 0.8990
326 H48 0.8987
327 S46 0.8987
328 WV7 0.8987
329 NYJ 0.8987
330 WCU 0.8986
331 ZEA 0.8986
332 AZY 0.8985
333 H35 0.8985
334 JO5 0.8984
335 A63 0.8983
336 AUE 0.8983
337 VJJ 0.8983
338 27F 0.8982
339 5GT 0.8982
340 245 0.8981
341 F4K 0.8980
342 XDN XYP 0.8980
343 9KZ 0.8977
344 1R5 0.8977
345 XEV 0.8976
346 JPQ 0.8975
347 ZHA 0.8975
348 AOJ 0.8975
349 MKN 0.8975
350 08C 0.8974
351 W23 0.8974
352 54E 0.8973
353 LL2 0.8973
354 TPM 0.8972
355 5TO 0.8972
356 4NP 0.8971
357 Q2S 0.8971
358 EQW 0.8970
359 VUP 0.8970
360 LFQ 0.8968
361 3VW 0.8967
362 Y0V 0.8967
363 X6P 0.8965
364 3L1 0.8965
365 1BW 0.8965
366 LZJ 0.8964
367 BVS 0.8963
368 4MP 0.8963
369 IQZ 0.8963
370 4MB 0.8962
371 KYN 0.8961
372 QKU 0.8961
373 5ER 0.8960
374 TYR 0.8960
375 OA1 0.8959
376 9FG 0.8956
377 QBP 0.8954
378 MXD 0.8954
379 3QI 0.8953
380 S60 0.8953
381 6C5 0.8952
382 N91 0.8952
383 BHS 0.8952
384 ZYQ 0.8950
385 657 0.8950
386 CTE 0.8949
387 1AJ 0.8949
388 U7E 0.8949
389 27M 0.8948
390 DX7 0.8948
391 0OY 0.8947
392 0JD 0.8946
393 SOJ 0.8946
394 NY4 0.8945
395 CUT 0.8945
396 P7V 0.8944
397 1A5 0.8944
398 GJG 0.8943
399 J1K 0.8941
400 1SF 0.8940
401 EES 0.8940
402 SWX 0.8940
403 LJ3 0.8940
404 OIA 0.8939
405 S0E 0.8939
406 KMY 0.8939
407 5WK 0.8939
408 NAG 0.8938
409 5WN 0.8936
410 JFS 0.8936
411 ALE 0.8934
412 S98 0.8933
413 FER 0.8933
414 14N 0.8933
415 PLP 0.8932
416 Q8G 0.8931
417 H2B 0.8931
418 PMP 0.8931
419 OA4 0.8930
420 HVE 0.8930
421 92O 0.8929
422 Z21 0.8929
423 DRG 0.8929
424 GZ2 0.8929
425 54X 0.8929
426 AJ1 0.8928
427 P81 0.8927
428 2LW 0.8927
429 LWS 0.8927
430 WVV 0.8925
431 BXS 0.8923
432 BZM 0.8922
433 7FU 0.8922
434 1ZC 0.8921
435 D1Y 0.8920
436 YIH 0.8919
437 5O5 0.8919
438 27K 0.8919
439 0NX 0.8919
440 15N 0.8918
441 IMH 0.8917
442 4AB 0.8917
443 V2Z 0.8916
444 T07 0.8913
445 DA3 0.8912
446 NVS 0.8912
447 ESE 0.8912
448 MR6 0.8912
449 A5Q 0.8911
450 ENO 0.8911
451 E6Q 0.8911
452 6BK 0.8910
453 SLS 0.8909
454 AWE 0.8909
455 RKY 0.8908
456 0OL 0.8908
457 5P3 0.8907
458 T98 0.8907
459 FNT 0.8907
460 CSN 0.8906
461 8V8 0.8905
462 P80 0.8904
463 ZIP 0.8904
464 G30 0.8904
465 7G0 0.8903
466 NOC 0.8903
467 28A 0.8901
468 BPY 0.8901
469 5M2 0.8900
470 DTE 0.8900
471 4Z1 0.8900
472 4UM 0.8899
473 9JH 0.8899
474 JGY 0.8898
475 KXN 0.8896
476 O9Z 0.8896
477 5OR 0.8892
478 UN9 0.8892
479 L03 0.8891
480 Y70 0.8890
481 3XH 0.8888
482 C82 0.8886
483 DDU 0.8886
484 HX8 0.8884
485 O9T 0.8883
486 C0H 0.8883
487 7N8 0.8883
488 7VY 0.8880
489 RDV 0.8880
490 VFJ 0.8880
491 3ZB 0.8879
492 B4L 0.8878
493 5GV 0.8874
494 OUG 0.8874
495 9VQ 0.8874
496 RNK 0.8874
497 OQC 0.8873
498 F5C 0.8873
499 3WL 0.8872
500 LUM 0.8871
501 KMP 0.8871
502 C0W 0.8870
503 JAH 0.8870
504 0NJ 0.8870
505 68A 0.8870
506 THM 0.8869
507 NEO 0.8869
508 CX4 0.8869
509 1UZ 0.8868
510 EYV 0.8867
511 5O6 0.8867
512 7G2 0.8866
513 OUA 0.8863
514 JY2 0.8861
515 G6P 0.8860
516 D87 0.8860
517 GB5 0.8859
518 EXG 0.8858
519 1DR 0.8858
520 J84 0.8857
521 28B 0.8857
522 S7D 0.8857
523 6C9 0.8857
524 A51 0.8855
525 PFF 0.8853
526 TCL 0.8852
527 TGW 0.8851
528 IQ5 0.8850
529 EUE 0.8850
530 NIF 0.8849
531 1ER 0.8849
532 N2Y 0.8849
533 2FA 0.8849
534 E1T 0.8848
535 6JM 0.8847
536 1CY 0.8846
537 0LO 0.8846
538 KLV 0.8846
539 JF5 0.8844
540 SU9 0.8844
541 7G1 0.8843
542 B21 0.8841
543 4HB 0.8841
544 8MP 0.8841
545 JA5 0.8840
546 GO8 0.8838
547 SYE 0.8838
548 S8P 0.8838
549 5DE 0.8838
550 P2L 0.8837
551 MR5 0.8836
552 4L2 0.8835
553 MQR 0.8835
554 AD6 0.8835
555 4AF 0.8834
556 GC2 0.8834
557 I3E 0.8834
558 P93 0.8833
559 J4K 0.8833
560 NQ7 0.8833
561 K4V 0.8832
562 5TY 0.8832
563 C6Z 0.8832
564 J27 0.8831
565 NRA 0.8831
566 EN1 0.8831
567 BA5 0.8830
568 ZME 0.8830
569 NPS 0.8830
570 8OE 0.8830
571 HWB 0.8830
572 7AP 0.8830
573 3TC 0.8830
574 UAY 0.8826
575 D8Q 0.8824
576 E9P 0.8823
577 GHQ 0.8823
578 PYU 0.8822
579 A7H 0.8822
580 4FP 0.8822
581 4OG 0.8822
582 L12 0.8821
583 6C4 0.8821
584 2J1 0.8821
585 X0T 0.8821
586 RV1 0.8820
587 NOS 0.8820
588 S0F 0.8820
589 DCN 0.8820
590 108 0.8820
591 5ZM 0.8819
592 8YH 0.8819
593 CXH 0.8819
594 U4J 0.8818
595 0DJ 0.8818
596 6QF 0.8817
597 NAR 0.8816
598 1YO 0.8815
599 2LT 0.8815
600 9E3 0.8815
601 3WO 0.8814
602 3WN 0.8814
603 CPZ 0.8813
604 THA 0.8812
605 FWD 0.8811
606 5BX 0.8810
607 PQM 0.8810
608 D9Z 0.8810
609 RA7 0.8809
610 4XF 0.8809
611 Q5M 0.8808
612 15Q 0.8808
613 YTZ 0.8808
614 78U 0.8807
615 5WW 0.8807
616 795 0.8807
617 EST 0.8806
618 5R8 0.8806
619 2HI 0.8805
620 SGW 0.8804
621 Q8D 0.8804
622 40N 0.8803
623 7ZO 0.8802
624 Z70 0.8801
625 TB8 0.8800
626 CC6 0.8800
627 AU8 0.8800
628 N5B 0.8799
629 613 0.8799
630 A4D 0.8799
631 6ZW 0.8797
632 P4T 0.8796
633 K3D 0.8794
634 SFY 0.8794
635 F02 0.8794
636 GB4 0.8794
637 L3L 0.8793
638 O9Q 0.8793
639 C0V 0.8793
640 DBS 0.8792
641 2K8 0.8792
642 1KN 0.8791
643 6JO 0.8791
644 VFM 0.8791
645 5TT 0.8790
646 FHI 0.8788
647 MUX 0.8786
648 EQA 0.8785
649 3WK 0.8785
650 LJ4 0.8785
651 ZTW 0.8784
652 HA6 0.8783
653 AN3 0.8782
654 4BF 0.8782
655 F4U 0.8782
656 TCC 0.8782
657 ANC 0.8781
658 ANF 0.8781
659 CFA 0.8781
660 L07 0.8779
661 PZX 0.8779
662 NU3 0.8778
663 GJK 0.8778
664 3QO 0.8778
665 50C 0.8778
666 NDD 0.8777
667 CW6 0.8777
668 CX5 0.8776
669 VGS 0.8776
670 WDW 0.8775
671 BX4 0.8774
672 51Y 0.8773
673 0MB 0.8773
674 SJK 0.8772
675 EI1 0.8772
676 CP6 0.8772
677 RF2 0.8771
678 4V2 0.8770
679 5I5 0.8769
680 S0A 0.8769
681 0GA 0.8768
682 AV4 0.8767
683 4BX 0.8767
684 4GP 0.8767
685 WA1 0.8767
686 QUB 0.8766
687 HBO 0.8765
688 P9E 0.8765
689 VFG 0.8765
690 GNW 0.8764
691 CIY 0.8763
692 JGB 0.8763
693 4NS 0.8761
694 4K2 0.8761
695 CWD 0.8760
696 GZV 0.8759
697 120 0.8759
698 URI 0.8758
699 D1G 0.8756
700 LU2 0.8756
701 MR4 0.8755
702 XYS XYP 0.8755
703 6N4 0.8754
704 TVZ 0.8754
705 OCZ 0.8754
706 7FZ 0.8752
707 7VF 0.8751
708 6XC 0.8750
709 AZC 0.8750
710 ZEC 0.8749
711 EUH 0.8748
712 LTT 0.8748
713 SB7 0.8748
714 GOE 0.8748
715 BGK 0.8747
716 7LU 0.8747
717 BJ4 0.8746
718 A5P 0.8746
719 BL0 0.8745
720 WA2 0.8745
721 4BL 0.8745
722 5N5 0.8744
723 K80 0.8744
724 8XL 0.8744
725 A8K 0.8744
726 2L2 0.8743
727 PZ8 0.8743
728 3DE 0.8743
729 9H2 0.8743
730 26C 0.8743
731 BG6 0.8742
732 ESJ 0.8742
733 EMU 0.8742
734 ZIQ 0.8742
735 5WT 0.8741
736 GDL 0.8739
737 4CF 0.8738
738 CR4 0.8738
739 122 0.8738
740 BMZ 0.8738
741 0OP 0.8737
742 1DA 0.8735
743 3G3 0.8734
744 RNO 0.8733
745 AA 0.8733
746 PNP 0.8732
747 OSY 0.8732
748 MEX 0.8731
749 80G 0.8731
750 97K 0.8730
751 BWD 0.8730
752 47X 0.8729
753 B7H 0.8729
754 1V8 0.8729
755 0OO 0.8729
756 LO1 0.8729
757 RUG 0.8729
758 VIB 0.8726
759 BXZ 0.8725
760 89J 0.8725
761 60L 0.8724
762 HL6 0.8724
763 NFZ 0.8723
764 1OT 0.8723
765 N2M 0.8722
766 AC2 0.8721
767 LC1 0.8720
768 ARP 0.8719
769 2UB 0.8718
770 TYP 0.8717
771 3D3 0.8716
772 X29 0.8714
773 SNV 0.8713
774 72D 0.8713
775 HWH 0.8713
776 7EL 0.8709
777 HXY 0.8706
778 MUK 0.8705
779 344 0.8705
780 GJB 0.8704
781 IYR 0.8701
782 6DE 0.8701
783 4YE 0.8701
784 U14 0.8701
785 PQV 0.8699
786 789 0.8699
787 C09 0.8697
788 D26 0.8697
789 FT2 0.8696
790 0X2 0.8696
791 7ZL 0.8695
792 D4G 0.8695
793 1HR 0.8694
794 PJK 0.8693
795 NE2 0.8692
796 14W 0.8692
797 Q11 0.8692
798 BSA 0.8692
799 IAG 0.8691
800 S8G 0.8690
801 NXB 0.8688
802 DTY 0.8687
803 KWV 0.8687
804 JA3 0.8687
805 90M 0.8687
806 0LA 0.8687
807 M5B 0.8686
808 BSU 0.8684
809 YUG 0.8684
810 4LW 0.8682
811 JXK 0.8680
812 PQS 0.8680
813 FB4 0.8679
814 NWD 0.8678
815 A05 0.8678
816 2UZ 0.8676
817 DQH 0.8675
818 FC2 0.8675
819 RE4 0.8673
820 TEF 0.8671
821 SQM 0.8671
822 69K 0.8671
823 PUR 0.8670
824 6ZX 0.8668
825 NHT 0.8667
826 SSY 0.8667
827 XYP XYS 0.8664
828 IIH 0.8662
829 E9S 0.8660
830 RKN 0.8659
831 1Q1 0.8659
832 OX2 0.8658
833 PTB 0.8657
834 PE2 0.8657
835 LVD 0.8654
836 R9G 0.8654
837 MFR 0.8654
838 HWD 0.8651
839 TXW 0.8650
840 GXD 0.8649
841 C9M 0.8649
842 4P9 0.8648
843 F1X 0.8648
844 C2M 0.8645
845 C4F 0.8644
846 16Z 0.8644
847 Q9T 0.8643
848 NTF 0.8643
849 RYV 0.8642
850 FBC 0.8641
851 OTA 0.8640
852 67Y 0.8638
853 GF7 0.8636
854 4Z0 0.8636
855 94X 0.8635
856 F63 0.8634
857 0F3 0.8634
858 78P 0.8634
859 NE1 0.8633
860 PW1 0.8632
861 PQT 0.8632
862 FZ0 0.8632
863 HLP 0.8630
864 THU 0.8629
865 1PS 0.8629
866 MBP 0.8628
867 SX2 0.8628
868 N4E 0.8627
869 5P7 0.8625
870 8UY 0.8622
871 124 0.8619
872 R18 0.8617
873 RK4 0.8617
874 3N0 0.8616
875 CR1 0.8616
876 QUE 0.8616
877 121 0.8613
878 1UR 0.8613
879 ZYC 0.8612
880 PH3 0.8608
881 YIE 0.8605
882 9F8 0.8601
883 AXX 0.8601
884 AX4 0.8599
885 9B3 0.8599
886 B2E 0.8598
887 ESZ 0.8596
888 LOT 0.8595
889 3NF 0.8594
890 BDI 0.8594
891 531 0.8594
892 ET0 0.8593
893 FTV 0.8591
894 N9J 0.8591
895 1V0 0.8590
896 AX5 0.8590
897 PLR 0.8590
898 6HO 0.8589
899 DCF 0.8587
900 PV4 0.8585
901 LZ4 0.8584
902 5WS 0.8580
903 TYC 0.8580
904 NPX 0.8579
905 1UT 0.8577
906 G1L 0.8572
907 C93 0.8572
908 3W6 0.8569
909 6WU 0.8568
910 X6W 0.8566
911 0RY 0.8566
912 A64 0.8564
913 TNX 0.8553
914 OPA 0.8548
915 3W3 0.8547
916 54F 0.8545
917 TC8 0.8544
918 DT7 0.8540
919 BEU 0.8530
920 28E 0.8529
921 B2L 0.8524
922 HHV 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D5Z; Ligand: L35; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 2d5z.bio1) has 77 residues
No: Leader PDB Ligand Sequence Similarity
1 6LM1 OCT 2.73973
2 6LM1 D10 2.73973
3 1NU4 MLA 11.3402
4 1NU4 MLA 11.3402
5 1NU4 MLA 11.3402
Pocket No.: 2; Query (leader) PDB : 2D5Z; Ligand: L35; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 2d5z.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
1 6LM1 OCT 2.73973
2 6LM1 D10 2.73973
3 1NU4 MLA 11.3402
4 1NU4 MLA 11.3402
5 1NU4 MLA 11.3402
Pocket No.: 3; Query (leader) PDB : 2D5Z; Ligand: L35; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 2d5z.bio1) has 88 residues
No: Leader PDB Ligand Sequence Similarity
1 6LM1 OCT 2.73973
2 6LM1 D10 2.73973
APoc FAQ
Feedback