Receptor
PDB id Resolution Class Description Source Keywords
1SSQ 1.85 Å EC: 2.3.1.30 SERINE ACETYLTRANSFERASE- COMPLEX WITH CYSTEINE HAEMOPHILUS INFLUENZAE LEFT-HANDED PARALLEL BETA HELIX TRANSFERASE
Ref.: STRUCTURE OF SERINE ACETYLTRANSFERASE IN COMPLEXES AND ITS CYSTEINE FEEDBACK INHIBITOR BIOCHEMISTRY V. 43 6013 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:2000;
A:2001;
Valid;
Valid;
none;
none;
Ki = 1 uM
121.158 C3 H7 N O2 S C([C@...
MG A:4001;
D:4000;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SSQ 1.85 Å EC: 2.3.1.30 SERINE ACETYLTRANSFERASE- COMPLEX WITH CYSTEINE HAEMOPHILUS INFLUENZAE LEFT-HANDED PARALLEL BETA HELIX TRANSFERASE
Ref.: STRUCTURE OF SERINE ACETYLTRANSFERASE IN COMPLEXES AND ITS CYSTEINE FEEDBACK INHIBITOR BIOCHEMISTRY V. 43 6013 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
3 1T3D - CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SST - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SSQ Ki = 1 uM CYS C3 H7 N O2 S C([C@@H](C....
3 4N69 - SER C3 H7 N O3 C([C@@H](C....
4 1T3D - CYS C3 H7 N O2 S C([C@@H](C....
5 4HZD - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CYS; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 DCY 1 1
2 CYS 1 1
3 SER 0.65 0.84
4 DSN 0.65 0.84
5 HCS 0.608696 0.916667
6 DBB 0.571429 0.75
7 ABA 0.571429 0.75
8 2RA 0.571429 0.807692
9 C2N 0.545455 0.791667
10 DAS 0.521739 0.703704
11 ASN 0.521739 0.612903
12 ASP 0.521739 0.703704
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 API 0.48 0.62069
17 AS2 0.48 0.692308
18 NVA 0.48 0.666667
19 CSO 0.48 0.677419
20 LEU 0.48 0.692308
21 HL5 0.448276 0.740741
22 DGL 0.444444 0.642857
23 GLU 0.444444 0.642857
24 GGL 0.444444 0.642857
25 DAL 0.428571 0.608696
26 ORN 0.428571 0.740741
27 ALA 0.428571 0.608696
28 NLE 0.413793 0.62069
29 3GC 0.405405 0.647059
30 UN1 0.4 0.62069
31 DLY 0.4 0.714286
32 11C 0.4 0.62069
33 MET 0.4 0.666667
34 MED 0.4 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: CYS; Similar ligands found: 650
No: Ligand Similarity coefficient
1 SMB 1.0000
2 MMU 1.0000
3 MEU 1.0000
4 KG7 1.0000
5 2HA 1.0000
6 3PY 1.0000
7 2KT 1.0000
8 39J 0.9979
9 DXX 0.9973
10 GOL 0.9965
11 HUI 0.9961
12 DE2 0.9927
13 3GR 0.9924
14 DGY 0.9891
15 GXV 0.9827
16 HIU 0.9813
17 2OP 0.9786
18 9X7 0.9750
19 THR 0.9744
20 03W 0.9737
21 LAC 0.9696
22 D2P 0.9683
23 PYR 0.9678
24 GXE 0.9676
25 9YL 0.9669
26 OXL 0.9665
27 1AC 0.9664
28 69O 0.9663
29 OXD 0.9661
30 E60 0.9654
31 A3B 0.9654
32 PPF 0.9636
33 SGL 0.9635
34 HGW 0.9635
35 PYM 0.9624
36 TTO 0.9622
37 ALQ 0.9618
38 ATO 0.9617
39 PIH 0.9609
40 SAR 0.9608
41 NIS 0.9600
42 HHN 0.9592
43 OXM 0.9588
44 BAL 0.9580
45 KIV 0.9578
46 8CL 0.9577
47 LER 0.9576
48 FW5 0.9570
49 VAL 0.9569
50 BUO 0.9568
51 TCV 0.9567
52 1SP 0.9567
53 TAY 0.9566
54 23W 0.9565
55 SSN 0.9565
56 ITU 0.9563
57 93B 0.9561
58 TF4 0.9556
59 LEA 0.9555
60 NVI 0.9555
61 25T 0.9554
62 AKB 0.9554
63 BUA 0.9551
64 BRP 0.9550
65 ABU 0.9547
66 MBN 0.9544
67 PRS 0.9540
68 TSZ 0.9539
69 IPH 0.9539
70 24T 0.9539
71 BUB 0.9539
72 5Y9 0.9538
73 HAE 0.9537
74 BMD 0.9536
75 HBS 0.9535
76 MRY 0.9533
77 CP2 0.9533
78 NAK 0.9532
79 ALO 0.9532
80 FAH 0.9528
81 F3V 0.9523
82 282 0.9519
83 1DH 0.9516
84 MAK 0.9516
85 NBE 0.9516
86 3OH 0.9511
87 PPI 0.9510
88 SYN 0.9509
89 ICN 0.9509
90 DMG 0.9504
91 3AP 0.9503
92 SLP 0.9501
93 PYF 0.9499
94 HGY 0.9498
95 HBX 0.9485
96 280 0.9483
97 IVA 0.9481
98 61G 0.9480
99 3HL 0.9477
100 C5J 0.9476
101 BUQ 0.9474
102 BML 0.9473
103 4CH 0.9473
104 DTL 0.9469
105 HVB 0.9469
106 2AP 0.9467
107 HVK 0.9467
108 AKR 0.9467
109 HTS 0.9465
110 192 0.9464
111 A8C 0.9463
112 5KX 0.9463
113 4HS 0.9461
114 MTG 0.9461
115 MGX 0.9460
116 938 0.9460
117 BYZ 0.9459
118 R3W 0.9458
119 MLM 0.9457
120 GLY 0.9457
121 PYZ 0.9456
122 WOT 0.9456
123 DTU 0.9453
124 DTT 0.9449
125 XAP 0.9448
126 MLI 0.9448
127 ETX 0.9447
128 ABN 0.9445
129 2CH 0.9445
130 CEJ 0.9444
131 J3K 0.9443
132 TMZ 0.9440
133 4MZ 0.9440
134 HBR 0.9439
135 278 0.9437
136 4AP 0.9437
137 MMZ 0.9436
138 BEW 0.9432
139 3BB 0.9431
140 AOA 0.9430
141 JZ6 0.9430
142 IOL 0.9430
143 BAE 0.9429
144 HDA 0.9428
145 MLA 0.9428
146 4JN 0.9427
147 TFB 0.9426
148 PY7 0.9426
149 AAE 0.9425
150 5MP 0.9419
151 AGU 0.9418
152 CRD 0.9417
153 MB3 0.9416
154 AMT 0.9415
155 3MT 0.9414
156 LGA 0.9412
157 PCR 0.9408
158 HYN 0.9406
159 1BP 0.9404
160 GOA 0.9402
161 PRI 0.9400
162 LG4 0.9399
163 PXO 0.9398
164 9CL 0.9396
165 HVQ 0.9395
166 6X8 0.9394
167 265 0.9394
168 BVC 0.9390
169 25R 0.9385
170 F50 0.9383
171 XIX 0.9383
172 DTI 0.9382
173 5JC 0.9381
174 0R0 0.9381
175 NIE 0.9381
176 NMU 0.9378
177 2MZ 0.9377
178 HQE 0.9375
179 ES3 0.9374
180 ATQ 0.9374
181 1MZ 0.9373
182 2IM 0.9370
183 GLV 0.9367
184 PXY 0.9365
185 BVF 0.9365
186 BXA 0.9365
187 MR3 0.9363
188 RCO 0.9363
189 4HA 0.9361
190 DMI 0.9360
191 DA1 0.9360
192 CIG 0.9359
193 JZ0 0.9357
194 PRO 0.9357
195 HRZ 0.9356
196 BU4 0.9355
197 URA 0.9355
198 3CH 0.9354
199 B3R 0.9351
200 93Q 0.9350
201 26D 0.9348
202 PE9 0.9347
203 HHQ 0.9346
204 1MR 0.9343
205 HGQ 0.9343
206 2A1 0.9342
207 HV2 0.9342
208 CRS 0.9341
209 TMT 0.9341
210 PYJ 0.9340
211 3SS 0.9339
212 LG5 0.9339
213 PLQ 0.9339
214 HEW 0.9336
215 PUT 0.9336
216 LG3 0.9334
217 8GF 0.9334
218 MZG 0.9334
219 ODV 0.9333
220 3HR 0.9333
221 A2Q 0.9330
222 THE 0.9328
223 FPN 0.9328
224 NK 0.9327
225 EGD 0.9326
226 L60 0.9322
227 C21 0.9322
228 P2D 0.9321
229 AMC 0.9320
230 NHY 0.9319
231 TP5 0.9319
232 M3T 0.9314
233 MAE 0.9312
234 9PO 0.9312
235 285 0.9310
236 YAN 0.9309
237 BAQ 0.9308
238 BXO 0.9306
239 NMG 0.9305
240 MZ0 0.9305
241 T2C 0.9303
242 NBN 0.9303
243 HAI 0.9302
244 4XX 0.9302
245 CYT 0.9301
246 4CL 0.9297
247 9A4 0.9296
248 VX 0.9295
249 HSL 0.9294
250 HSM 0.9293
251 27Y 0.9291
252 4HO 0.9291
253 AML 0.9290
254 KSW 0.9290
255 BP9 0.9289
256 MCT 0.9288
257 APY 0.9287
258 HZP 0.9285
259 4JJ 0.9283
260 4H2 0.9280
261 92Z 0.9279
262 IHG 0.9276
263 DCD 0.9276
264 8LG 0.9274
265 IQ0 0.9273
266 OXE 0.9272
267 2CO 0.9271
268 WTZ 0.9267
269 L89 0.9264
270 2A3 0.9264
271 2EZ 0.9264
272 CHT 0.9264
273 SIN 0.9262
274 BR9 0.9261
275 J1Z 0.9256
276 7EX 0.9254
277 MWJ 0.9254
278 2PC 0.9254
279 HOW 0.9253
280 8X3 0.9252
281 VAH 0.9249
282 BVG 0.9248
283 2MH 0.9245
284 CXL 0.9244
285 MTD 0.9243
286 3CL 0.9243
287 7CL 0.9242
288 CYH 0.9240
289 9A7 0.9239
290 JZ1 0.9239
291 XPO 0.9239
292 3TR 0.9238
293 JZ2 0.9238
294 3ZQ 0.9234
295 1CB 0.9233
296 HPY 0.9227
297 FMS 0.9226
298 FOA 0.9223
299 2AF 0.9223
300 GBL 0.9222
301 1AN 0.9222
302 FPI 0.9221
303 286 0.9220
304 2AI 0.9219
305 76X 0.9219
306 23B 0.9218
307 2AC 0.9212
308 2YU 0.9209
309 6NA 0.9208
310 MZW 0.9208
311 QFH 0.9206
312 DCL 0.9206
313 TH0 0.9206
314 6SP 0.9205
315 13D 0.9205
316 5MH 0.9204
317 4AX 0.9203
318 4JU 0.9203
319 R8A 0.9203
320 QOS 0.9203
321 FCN 0.9202
322 MWM 0.9202
323 HLT 0.9201
324 1MC 0.9200
325 URF 0.9198
326 LDU 0.9195
327 XBZ 0.9191
328 IMR 0.9190
329 CAQ 0.9189
330 XYD 0.9187
331 TDR 0.9185
332 ICP 0.9181
333 PYD 0.9181
334 BBU 0.9179
335 FJO 0.9179
336 A1U 0.9179
337 40O 0.9178
338 284 0.9178
339 P7I 0.9178
340 PYC 0.9177
341 Y8I 0.9177
342 4MV 0.9172
343 1DU 0.9167
344 ILE 0.9166
345 JZ3 0.9166
346 HBA 0.9165
347 4ZE 0.9164
348 R2B 0.9152
349 MSF 0.9151
350 OAA 0.9149
351 WBU 0.9149
352 4DX 0.9147
353 34A 0.9144
354 9TY 0.9142
355 4JO 0.9142
356 0CL 0.9141
357 TM7 0.9141
358 MLT 0.9140
359 1XX 0.9138
360 HT4 0.9138
361 40E 0.9137
362 HYP 0.9135
363 SMV 0.9134
364 OHG 0.9133
365 B24 0.9133
366 2MP 0.9133
367 DYA 0.9132
368 TAU 0.9132
369 2HE 0.9131
370 POA 0.9131
371 IDH 0.9131
372 EDG 0.9130
373 ISU 0.9128
374 4VP 0.9128
375 R1X 0.9127
376 14J 0.9125
377 H95 0.9124
378 DPR 0.9124
379 PHB 0.9123
380 1AB 0.9122
381 HX2 0.9122
382 ETM 0.9116
383 MZY 0.9114
384 DUC 0.9112
385 H3M 0.9111
386 TB6 0.9111
387 TZC 0.9111
388 51F 0.9110
389 5UC 0.9109
390 H8N 0.9105
391 LMR 0.9102
392 V1L 0.9102
393 JAB 0.9102
394 FP2 0.9101
395 AC5 0.9100
396 NEQ 0.9096
397 BTL 0.9096
398 TEO 0.9096
399 4JM 0.9094
400 COM 0.9092
401 IPU 0.9089
402 3ZS 0.9088
403 FQI 0.9087
404 ETF 0.9087
405 43M 0.9082
406 DZZ 0.9075
407 TFS 0.9074
408 2DR 0.9074
409 MSE 0.9074
410 JBN 0.9073
411 FUM 0.9072
412 47J 0.9061
413 YCP 0.9059
414 273 0.9052
415 COI 0.9051
416 IUR 0.9051
417 4SD 0.9047
418 PAE 0.9046
419 TLD 0.9045
420 CP 0.9044
421 98J 0.9038
422 60P 0.9035
423 HY3 0.9034
424 PCA 0.9028
425 FPY 0.9017
426 OPE 0.9014
427 TAN 0.9013
428 UY7 0.9011
429 YHO 0.9010
430 KMT 0.9010
431 TZE 0.9007
432 ECE 0.9007
433 DSS 0.9005
434 8FH 0.9005
435 TB0 0.9003
436 CMS 0.9002
437 FBA 0.9001
438 GBD 0.8999
439 3XX 0.8997
440 ITN 0.8996
441 6UA 0.8996
442 EFS 0.8994
443 SAT 0.8993
444 CRN 0.8992
445 IOM 0.8992
446 FLA 0.8991
447 GAG 0.8983
448 PYG 0.8979
449 HSW 0.8977
450 ICC 0.8974
451 OXQ 0.8970
452 RSF 0.8969
453 9SB 0.8967
454 H76 0.8965
455 JZ5 0.8958
456 KOJ 0.8957
457 5AC 0.8957
458 CNH 0.8952
459 VSO 0.8951
460 DEN 0.8949
461 TZZ 0.8948
462 MBD 0.8945
463 MMQ 0.8940
464 DPF 0.8939
465 PG3 0.8931
466 MRZ 0.8931
467 GLY ALA 0.8930
468 NXA 0.8930
469 MPI 0.8929
470 UGC 0.8927
471 C2B 0.8926
472 4JL 0.8925
473 AHR 0.8924
474 BZI 0.8923
475 PBC 0.8922
476 3MC 0.8919
477 ROR 0.8918
478 6PC 0.8917
479 8H8 0.8917
480 IDM 0.8917
481 BZF 0.8917
482 XUL 0.8917
483 FAN 0.8915
484 NSP 0.8915
485 FBJ 0.8913
486 CXF 0.8912
487 BZX 0.8911
488 6AI 0.8909
489 C2A 0.8908
490 JZ7 0.8907
491 BEN 0.8905
492 2RH 0.8904
493 2CM 0.8903
494 5MI 0.8900
495 IND 0.8900
496 GVH 0.8899
497 0R1 0.8899
498 1PT 0.8898
499 2ZX 0.8898
500 PZA 0.8897
501 ES9 0.8893
502 FLM 0.8893
503 HMH 0.8893
504 EHM 0.8890
505 LZ1 0.8888
506 2MY 0.8888
507 3FA 0.8888
508 0CT 0.8887
509 MPD 0.8886
510 5H1 0.8885
511 3SY 0.8882
512 11S 0.8882
513 5MB 0.8881
514 3CE 0.8880
515 GMN 0.8878
516 FFP 0.8876
517 BAM 0.8874
518 XLS 0.8873
519 RIB 0.8871
520 6MH 0.8868
521 7VD 0.8867
522 MLE 0.8867
523 3MH 0.8867
524 NCA 0.8866
525 DUB 0.8866
526 FYU 0.8865
527 32O 0.8864
528 JYD 0.8864
529 NCM 0.8863
530 CIZ 0.8863
531 1LN 0.8862
532 GG6 0.8860
533 2C9 0.8859
534 2K4 0.8858
535 ZBT 0.8854
536 TZL 0.8854
537 AX2 0.8853
538 B20 0.8852
539 BNS 0.8851
540 BEZ 0.8850
541 QDK 0.8847
542 PGA 0.8845
543 2XX 0.8844
544 NIO 0.8844
545 2LP 0.8838
546 WDL 0.8836
547 M58 0.8836
548 7CZ 0.8836
549 BDR 0.8835
550 5ZE 0.8831
551 TLA 0.8831
552 JZ9 0.8828
553 24B 0.8828
554 VGL 0.8827
555 3AY 0.8822
556 RUU 0.8817
557 SS1 0.8815
558 TH7 0.8815
559 BSX 0.8812
560 P1R 0.8812
561 BNZ 0.8811
562 13X 0.8808
563 34V 0.8806
564 VNJ 0.8804
565 AC0 0.8802
566 1DQ 0.8802
567 NBZ 0.8801
568 0PY 0.8799
569 XRG 0.8798
570 QSC 0.8798
571 PHZ 0.8794
572 NTN 0.8793
573 XBT 0.8790
574 261 0.8789
575 ALF 0.8788
576 45C 0.8786
577 UNU 0.8786
578 AF3 0.8784
579 PRY 0.8783
580 PEL 0.8783
581 4ZC 0.8781
582 TMH 0.8773
583 BR8 0.8773
584 FP1 0.8771
585 SS2 0.8769
586 JZ4 0.8768
587 TAR 0.8768
588 94N 0.8767
589 S0H 0.8766
590 7WG 0.8764
591 ERH 0.8763
592 FUB 0.8760
593 XYS 0.8760
594 HY1 0.8759
595 23A 0.8759
596 BRJ 0.8754
597 URP 0.8754
598 4XR 0.8752
599 5AN 0.8752
600 OXZ 0.8751
601 CEE 0.8751
602 RSO 0.8748
603 HX3 0.8747
604 IFM 0.8744
605 PEA 0.8741
606 XYP 0.8740
607 271 0.8736
608 IP0 0.8714
609 O7U 0.8711
610 AZF 0.8710
611 T6C 0.8705
612 ICF 0.8701
613 VN4 0.8701
614 F81 0.8697
615 FPK 0.8693
616 1Y8 0.8687
617 KYD 0.8680
618 PEP 0.8679
619 3U4 0.8677
620 SAL 0.8676
621 DFB 0.8675
622 BE2 0.8669
623 HIO 0.8668
624 0MK 0.8666
625 1DV 0.8657
626 RP7 0.8653
627 3SK 0.8643
628 SRT 0.8641
629 SEJ 0.8636
630 DFU 0.8635
631 9X6 0.8635
632 3V4 0.8634
633 03S 0.8630
634 EDO 0.8629
635 OSM 0.8624
636 RIP 0.8624
637 7MH 0.8622
638 HPA 0.8599
639 6M4 0.8596
640 ADE 0.8596
641 TBP 0.8594
642 M6W 0.8590
643 F05 0.8579
644 6HQ 0.8572
645 QPT 0.8564
646 MCH 0.8561
647 2HP 0.8553
648 ABE 0.8550
649 SKG 0.8536
650 7HP 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SSQ; Ligand: CYS; 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: 1ssq.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1SSQ; Ligand: CYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1ssq.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1SSQ; Ligand: CYS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1ssq.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
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