Receptor
PDB id Resolution Class Description Source Keywords
3LA3 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF NTCA IN COMPLEX WITH 2,2-DIFLUOROPENTAN ACID ANABAENA NITROGEN REGULATOR ACTIVATOR DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL BASIS FOR THE ALLOSTERIC CONTROL OF THE TRANSCRIPTION FACTOR NTCA BY THE NITROGEN STARVATIO 2-OXOGLUTARATE. PROC.NATL.ACAD.SCI.USA V. 107 12487 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2FT A:224;
B:224;
Valid;
Valid;
none;
none;
submit data
168.096 C5 H6 F2 O4 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LA3 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF NTCA IN COMPLEX WITH 2,2-DIFLUOROPENTAN ACID ANABAENA NITROGEN REGULATOR ACTIVATOR DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL BASIS FOR THE ALLOSTERIC CONTROL OF THE TRANSCRIPTION FACTOR NTCA BY THE NITROGEN STARVATIO 2-OXOGLUTARATE. PROC.NATL.ACAD.SCI.USA V. 107 12487 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 3LA3 - 2FT C5 H6 F2 O4 C(CC(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 197 families.
1 3LA3 - 2FT C5 H6 F2 O4 C(CC(C(=O)....
2 2XHK - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 3LA3 - 2FT C5 H6 F2 O4 C(CC(C(=O)....
2 2XHK - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2FT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2FT 1 1
2 HCA 0.40625 0.642857
Similar Ligands (3D)
Ligand no: 1; Ligand: 2FT; Similar ligands found: 761
No: Ligand Similarity coefficient
1 AKG 0.9760
2 S2G 0.9702
3 8GL 0.9701
4 GLN 0.9699
5 2HG 0.9695
6 GLU 0.9695
7 OGA 0.9661
8 9ON 0.9646
9 ZGL 0.9581
10 DGL 0.9569
11 K6H 0.9544
12 ONL 0.9538
13 2IT 0.9515
14 TLA 0.9502
15 DGN 0.9470
16 TAR 0.9431
17 NPO 0.9426
18 PHB 0.9418
19 PAB 0.9393
20 ORN 0.9371
21 URO 0.9360
22 PBZ 0.9355
23 5XB 0.9349
24 2AS 0.9345
25 3PG 0.9334
26 GGL 0.9332
27 FA1 0.9322
28 1Y6 0.9321
29 URQ 0.9306
30 OAA 0.9304
31 41K 0.9303
32 HBD 0.9303
33 LYS 0.9302
34 173 0.9298
35 9SE 0.9292
36 KPL 0.9291
37 E5X 0.9286
38 LMR 0.9272
39 AC6 0.9271
40 MET 0.9267
41 SEP 0.9257
42 GUA 0.9256
43 ALA ALA 0.9248
44 MLT 0.9246
45 HGA 0.9242
46 HIS 0.9241
47 ASP 0.9237
48 8OZ 0.9234
49 4P5 0.9233
50 4BZ 0.9232
51 SRT 0.9230
52 PEP 0.9229
53 MHO 0.9219
54 PZI 0.9218
55 4MA 0.9218
56 6JN 0.9218
57 RNT 0.9217
58 DZA 0.9217
59 DAL DAL 0.9216
60 C5A 0.9212
61 P72 0.9207
62 ASN 0.9198
63 Z82 0.9197
64 HDH 0.9196
65 4NM 0.9190
66 RNS 0.9190
67 CRN 0.9189
68 PNZ 0.9187
69 APG 0.9186
70 RUJ 0.9176
71 FCR 0.9173
72 PO6 0.9161
73 SOR 0.9160
74 7UC 0.9159
75 449 0.9159
76 QY9 0.9158
77 PEQ 0.9158
78 PAC 0.9157
79 9J3 0.9157
80 RMN 0.9155
81 F9P 0.9154
82 IOM 0.9154
83 LY0 0.9153
84 HPV 0.9151
85 MUC 0.9150
86 3HG 0.9140
87 INO 0.9139
88 5HY 0.9138
89 MAH 0.9135
90 ISZ 0.9134
91 KMH 0.9131
92 FK8 0.9128
93 FBM 0.9127
94 SKG 0.9127
95 HCI 0.9126
96 BPN 0.9121
97 ANN 0.9117
98 SW7 0.9114
99 TSU 0.9113
100 TYL 0.9112
101 HBA 0.9104
102 DMV 0.9101
103 XUL 0.9099
104 X1R 0.9099
105 7C3 0.9099
106 BEN 0.9097
107 NLE 0.9096
108 LFC 0.9096
109 CXP 0.9094
110 717 0.9091
111 SMN 0.9088
112 SME 0.9088
113 GZ3 0.9088
114 SAN 0.9085
115 GRO 0.9085
116 XM0 0.9084
117 X1S 0.9084
118 4ZA 0.9083
119 HG3 0.9079
120 AMH 0.9076
121 2D8 0.9075
122 GLY GLY 0.9075
123 98J 0.9074
124 P9P 0.9073
125 XIZ 0.9072
126 SYM 0.9072
127 MSR 0.9071
128 QIC 0.9071
129 SOL 0.9069
130 AL0 0.9066
131 CFI 0.9065
132 SD4 0.9065
133 S8V 0.9064
134 826 0.9064
135 PPY 0.9064
136 UGC 0.9063
137 BAM 0.9062
138 MSE 0.9061
139 4HP 0.9061
140 DHB 0.9061
141 0VT 0.9060
142 PIY 0.9059
143 AHB 0.9057
144 7N0 0.9056
145 SKM 0.9055
146 6PC 0.9055
147 FBJ 0.9054
148 ITN 0.9053
149 152 0.9050
150 3PF 0.9050
151 M4T 0.9049
152 3LR 0.9047
153 CPZ 0.9047
154 PHU 0.9044
155 PBC 0.9044
156 4WL 0.9043
157 KDG 0.9043
158 9RH 0.9042
159 DHI 0.9042
160 FEH 0.9040
161 NCT 0.9040
162 4NC 0.9039
163 COI 0.9039
164 L14 0.9039
165 UN1 0.9037
166 SPA 0.9037
167 ILE 0.9034
168 93K 0.9027
169 RAT 0.9027
170 PIM 0.9027
171 4FA 0.9026
172 9RW 0.9026
173 9TW 0.9026
174 PCA 0.9026
175 QSB 0.9025
176 BHO 0.9025
177 IXW 0.9023
178 3YP 0.9023
179 PAF 0.9022
180 PPR 0.9021
181 AAS 0.9021
182 YRL 0.9020
183 HC4 0.9018
184 OTR 0.9017
185 PGA 0.9017
186 SN4 0.9016
187 2HO 0.9013
188 BEZ 0.9013
189 0HN 0.9012
190 SNU 0.9012
191 YCP 0.9011
192 DOB 0.9011
193 NCA 0.9011
194 6TZ 0.9010
195 I4B 0.9009
196 6NT 0.9009
197 5NI 0.9008
198 XLS 0.9008
199 8EW 0.9008
200 DHS 0.9007
201 BHA 0.9005
202 3BU 0.9004
203 DS0 0.9004
204 URS 0.9003
205 MEV 0.9003
206 92K 0.9002
207 E4P 0.9002
208 5FX 0.9002
209 F4E 0.9001
210 3V4 0.9001
211 MZT 0.9001
212 HHH 0.9000
213 SPV 0.9000
214 M45 0.9000
215 SVJ 0.8999
216 NBZ 0.8999
217 G3H 0.8998
218 CIT 0.8997
219 K34 0.8997
220 5CU 0.8997
221 0OC 0.8996
222 4J8 0.8996
223 LLH 0.8995
224 AEF 0.8994
225 ROR 0.8994
226 LEU 0.8992
227 2ZM 0.8991
228 XIY 0.8989
229 FA0 0.8989
230 URP 0.8989
231 TIU 0.8988
232 TZF 0.8988
233 13P 0.8987
234 S2P 0.8986
235 IHB 0.8985
236 OSE 0.8984
237 5NU 0.8984
238 JAW 0.8983
239 PMB 0.8983
240 VAH 0.8982
241 DIR 0.8981
242 4VP 0.8979
243 ASC 0.8978
244 LPK 0.8977
245 CHB 0.8977
246 BNF 0.8976
247 HHI 0.8975
248 HIO 0.8973
249 NIO 0.8973
250 TEO 0.8970
251 A5E 0.8969
252 4M0 0.8968
253 OKG 0.8968
254 REL 0.8967
255 3NY 0.8967
256 UNU 0.8966
257 SIN 0.8966
258 BZ2 0.8966
259 GLL 0.8965
260 AOS 0.8964
261 6M4 0.8964
262 FQI 0.8963
263 NIZ 0.8963
264 AEG 0.8963
265 BHU 0.8962
266 GJZ 0.8962
267 RUY 0.8961
268 MYJ 0.8961
269 NXA 0.8960
270 FBS 0.8959
271 FF3 0.8959
272 4VY 0.8956
273 EHM 0.8954
274 DYT 0.8953
275 G3P 0.8952
276 1CO 0.8951
277 174 0.8949
278 FLC 0.8949
279 RSO 0.8949
280 ACH 0.8948
281 23J 0.8948
282 0L1 0.8946
283 1F1 0.8946
284 J9T 0.8946
285 PZA 0.8946
286 K7M 0.8945
287 AOT 0.8945
288 HL5 0.8945
289 ACA 0.8943
290 2CO 0.8941
291 DAS 0.8940
292 HSO 0.8938
293 RBL 0.8938
294 ZXD 0.8937
295 A29 0.8936
296 R20 0.8936
297 3SL 0.8936
298 PMF 0.8935
299 52C 0.8934
300 DE5 0.8933
301 GPF 0.8932
302 TNE 0.8931
303 6NI 0.8930
304 SKJ 0.8930
305 RBJ 0.8930
306 O45 0.8929
307 268 0.8928
308 NM2 0.8927
309 49F 0.8927
310 MXN 0.8927
311 KTA 0.8927
312 6FZ 0.8926
313 7A8 0.8925
314 TPA 0.8925
315 J0Z 0.8924
316 NTN 0.8924
317 1M2 0.8923
318 N2Z 0.8922
319 1DV 0.8921
320 M6W 0.8921
321 LTL 0.8921
322 0BP 0.8921
323 0HO 0.8920
324 M6H 0.8920
325 650 0.8920
326 7WG 0.8918
327 CCE 0.8918
328 DPN 0.8916
329 DHK 0.8916
330 THE 0.8916
331 B3U 0.8915
332 SS2 0.8914
333 FA3 0.8913
334 1P8 0.8911
335 MES 0.8910
336 CS2 0.8909
337 A3M 0.8909
338 GVG 0.8909
339 ABI 0.8909
340 7MU 0.8909
341 5QY 0.8909
342 DPF 0.8908
343 JF6 0.8907
344 OK7 0.8907
345 GBN 0.8907
346 ICB 0.8906
347 4LW 0.8905
348 ESP 0.8905
349 NK2 0.8904
350 40E 0.8904
351 HYA 0.8903
352 HX4 0.8903
353 SNE 0.8902
354 MTL 0.8900
355 NK1 0.8899
356 OAF 0.8898
357 2AL 0.8898
358 IFP 0.8898
359 FOC 0.8897
360 FUD 0.8896
361 M3H 0.8896
362 1GP 0.8896
363 X0V 0.8895
364 MEQ 0.8895
365 HA5 0.8894
366 8WO 0.8893
367 CCD 0.8893
368 PAH 0.8892
369 5OB 0.8891
370 BZX 0.8891
371 PZM 0.8889
372 TIH 0.8887
373 1DJ 0.8887
374 JB8 0.8887
375 GPJ 0.8886
376 CXF 0.8886
377 1SA 0.8885
378 GVM 0.8884
379 OEG 0.8884
380 KMT 0.8883
381 259 0.8882
382 VGL 0.8882
383 BZ3 0.8882
384 GP9 0.8882
385 PSJ 0.8881
386 HNL 0.8880
387 RB0 0.8880
388 RB5 0.8880
389 XYL 0.8880
390 2HU 0.8879
391 3AB 0.8879
392 XYH 0.8879
393 36Y 0.8878
394 R2P 0.8878
395 QDK 0.8878
396 JLZ 0.8877
397 I1E 0.8877
398 FB2 0.8877
399 BNS 0.8875
400 HQJ 0.8875
401 LYN 0.8875
402 LUQ 0.8874
403 4FH 0.8873
404 FAN 0.8873
405 MPV 0.8873
406 TH7 0.8872
407 L5V 0.8871
408 R9S 0.8871
409 2F6 0.8871
410 DQA 0.8870
411 PRA 0.8870
412 9YT 0.8870
413 I38 0.8869
414 J9N 0.8869
415 TYE 0.8866
416 BNL 0.8866
417 DYA 0.8864
418 N4B 0.8863
419 HSE 0.8863
420 MD0 0.8860
421 XX2 0.8860
422 H42 0.8860
423 SHI 0.8860
424 GLY ALA 0.8859
425 IP8 0.8859
426 AG2 0.8857
427 UY7 0.8857
428 AMS 0.8856
429 HFA 0.8856
430 3S5 0.8854
431 3A9 0.8854
432 HYP 0.8852
433 HY1 0.8852
434 DI6 0.8851
435 4JQ 0.8850
436 GLO 0.8850
437 TZL 0.8849
438 ZBT 0.8849
439 IPB 0.8848
440 9X6 0.8848
441 JYD 0.8848
442 Q9Z 0.8848
443 AFS 0.8848
444 KDF 0.8847
445 069 0.8845
446 ONH 0.8844
447 JDN 0.8843
448 4JL 0.8843
449 SAL 0.8842
450 4XR 0.8841
451 2BG 0.8840
452 SAF 0.8839
453 PGH 0.8839
454 FBA 0.8838
455 XRG 0.8837
456 1X4 0.8837
457 MR1 0.8836
458 CHH 0.8835
459 CUW 0.8835
460 SHA 0.8835
461 DGJ 0.8834
462 SYV 0.8833
463 9FL 0.8833
464 GAL 0.8833
465 4NB 0.8832
466 ADA 0.8831
467 ODO 0.8830
468 MPJ 0.8830
469 8ZE 0.8830
470 271 0.8829
471 I2M 0.8828
472 5XC 0.8827
473 DLY 0.8827
474 KOJ 0.8827
475 BDF 0.8827
476 4LR 0.8826
477 SHV 0.8824
478 DHY 0.8823
479 PHE 0.8822
480 GDE 0.8822
481 HL4 0.8820
482 GCO 0.8820
483 EKZ 0.8819
484 258 0.8819
485 N6C 0.8818
486 ENV 0.8817
487 GAB 0.8817
488 SS1 0.8816
489 1L5 0.8816
490 R67 0.8816
491 B40 0.8816
492 OEM 0.8814
493 OOG 0.8813
494 PH3 0.8812
495 3CR 0.8811
496 PEA 0.8811
497 3AL 0.8809
498 4PN 0.8808
499 FHB 0.8807
500 CMS 0.8807
501 3U4 0.8806
502 HPS 0.8806
503 M44 0.8805
504 ES2 0.8805
505 HMH 0.8805
506 SOE 0.8803
507 NNO 0.8803
508 AC0 0.8803
509 4CS 0.8801
510 4A3 0.8800
511 2RH 0.8799
512 QSC 0.8799
513 FUM 0.8796
514 ABV 0.8796
515 TAG 0.8794
516 TGX 0.8794
517 B85 0.8794
518 IT9 0.8793
519 IF7 0.8793
520 SDD 0.8792
521 MNN 0.8792
522 BE2 0.8791
523 C2B 0.8790
524 2BX 0.8790
525 3PP 0.8790
526 54D 0.8790
527 QMP 0.8789
528 51R 0.8789
529 M5E 0.8788
530 AC5 0.8787
531 4JT 0.8786
532 5LA 0.8786
533 ARG 0.8784
534 HZP 0.8783
535 HSM 0.8783
536 36E 0.8782
537 0JD 0.8781
538 AH8 0.8778
539 I3E 0.8778
540 CYX 0.8777
541 MNM 0.8776
542 PKU 0.8774
543 34V 0.8774
544 11C 0.8773
545 HF2 0.8773
546 AX7 0.8771
547 6NA 0.8769
548 LNR 0.8769
549 AFR 0.8769
550 FP1 0.8768
551 8EZ 0.8767
552 JZ7 0.8765
553 3HM 0.8765
554 LDU 0.8764
555 ISD 0.8764
556 RHU 0.8763
557 BP9 0.8763
558 2FY 0.8762
559 TT4 0.8762
560 CH9 0.8762
561 3OC 0.8761
562 LDP 0.8759
563 XXP 0.8758
564 NFA 0.8757
565 A09 0.8756
566 HDA 0.8756
567 97T 0.8756
568 7BC 0.8756
569 AHN 0.8755
570 2CK 0.8755
571 HX2 0.8754
572 XBT 0.8754
573 F98 0.8754
574 PEL 0.8752
575 MS9 0.8752
576 M4S 0.8752
577 3HA 0.8751
578 4SX 0.8751
579 DXP 0.8751
580 PSE 0.8749
581 ET2 0.8748
582 M58 0.8747
583 ICT 0.8746
584 PRO 0.8745
585 1WC 0.8743
586 3HB 0.8743
587 CTL 0.8741
588 8H8 0.8741
589 IFL 0.8740
590 270 0.8740
591 5DI 0.8740
592 4JM 0.8740
593 GTK 0.8738
594 VKC 0.8737
595 53C 0.8737
596 MED 0.8736
597 KTJ 0.8735
598 T9G 0.8732
599 K2T 0.8729
600 D48 0.8728
601 Q02 0.8727
602 TPO 0.8727
603 Q06 0.8726
604 P7Y 0.8726
605 7VP 0.8725
606 1P3 0.8724
607 CLW 0.8723
608 GLA 0.8723
609 DAR 0.8722
610 129 0.8720
611 ICF 0.8718
612 5WZ 0.8717
613 0F9 0.8716
614 SYC 0.8716
615 3SK 0.8716
616 03V 0.8715
617 FBB 0.8715
618 HDL 0.8713
619 15N 0.8713
620 PD2 0.8712
621 NVA 0.8712
622 HIC 0.8712
623 MRZ 0.8712
624 PG3 0.8711
625 FYU 0.8710
626 H8N 0.8710
627 GWM 0.8710
628 3C4 0.8709
629 4AA 0.8707
630 SC2 0.8706
631 3QM 0.8706
632 COU 0.8706
633 GZL 0.8703
634 2MI 0.8701
635 J9Q 0.8700
636 YPN 0.8700
637 FOM 0.8699
638 HHA 0.8698
639 VNJ 0.8697
640 A9P 0.8696
641 1XA 0.8695
642 6AI 0.8695
643 PRZ 0.8693
644 4FS 0.8693
645 HNH 0.8691
646 4RW 0.8690
647 1Z6 0.8690
648 C1M 0.8688
649 MQN 0.8687
650 DMO 0.8686
651 OMD 0.8686
652 ONR 0.8685
653 9X7 0.8683
654 AT3 0.8683
655 G3E 0.8682
656 4JC 0.8681
657 N2I 0.8681
658 F60 0.8680
659 OVM 0.8680
660 NM3 0.8679
661 69O 0.8678
662 NYL 0.8678
663 NDH 0.8675
664 2AQ 0.8675
665 NMG 0.8675
666 AHC 0.8675
667 36R 0.8674
668 3BZ 0.8673
669 2K4 0.8671
670 14O 0.8670
671 JZ5 0.8669
672 ES5 0.8667
673 5XA 0.8667
674 GLR 0.8664
675 NLP 0.8661
676 JKE 0.8660
677 5WV 0.8658
678 5H1 0.8658
679 GZQ 0.8658
680 DEZ 0.8657
681 DXG 0.8656
682 DHR 0.8655
683 56D 0.8655
684 XQ0 0.8652
685 P92 0.8651
686 Q03 0.8647
687 DMD 0.8647
688 11S 0.8646
689 E7Z 0.8646
690 1DU 0.8644
691 6RQ 0.8640
692 IHG 0.8638
693 HA7 0.8638
694 OCH 0.8637
695 5MB 0.8637
696 JB5 0.8635
697 HJH 0.8635
698 HNK 0.8635
699 HX3 0.8632
700 2A9 0.8631
701 F4K 0.8630
702 VGD 0.8630
703 IT2 0.8630
704 JRB 0.8630
705 HPP 0.8629
706 5VM 0.8627
707 MRY 0.8627
708 4LV 0.8624
709 1FD 0.8624
710 LER 0.8622
711 B0D 0.8621
712 QUS 0.8621
713 XDK 0.8620
714 5ZZ 0.8616
715 42J 0.8616
716 264 0.8614
717 8GC 0.8614
718 5MI 0.8613
719 DIG 0.8611
720 JAE 0.8610
721 BCU 0.8610
722 BSX 0.8602
723 HMU 0.8602
724 261 0.8601
725 CN0 0.8599
726 GAF 0.8595
727 1A7 0.8593
728 CEE 0.8591
729 J5I 0.8590
730 GOJ 0.8590
731 CWJ 0.8589
732 DHM 0.8588
733 ENO 0.8587
734 IAC 0.8586
735 8U3 0.8584
736 X6X 0.8583
737 DAV 0.8581
738 Q07 0.8581
739 WOT 0.8580
740 M74 0.8579
741 FSG 0.8572
742 SHF 0.8567
743 SE2 0.8566
744 46P 0.8565
745 ES9 0.8564
746 AMQ 0.8561
747 3ID 0.8558
748 1LN 0.8554
749 9YL 0.8551
750 BE7 0.8550
751 9CA 0.8549
752 QUZ 0.8549
753 DAB 0.8546
754 A20 0.8546
755 8K2 0.8545
756 4SV 0.8542
757 NPY 0.8538
758 ES7 0.8535
759 TZM 0.8533
760 F9Y 0.8526
761 1MR 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LA3; Ligand: 2FT; 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: 3la3.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LA3; Ligand: 2FT; 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: 3la3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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