Receptor
PDB id Resolution Class Description Source Keywords
2CFI 1.85 Å EC: 1.5.1.6 THE HYDROLASE DOMAIN OF HUMAN 10-FTHFD IN COMPLEX WITH 6- FORMYLTETRAHYDROPTERIN HOMO SAPIENS TETRAHYDROFOLATE FOLATE BINDING NADP ONE-CARBON METABOLISOXIDOREDUCTASE PHOSPHOPANTETHEINE
Ref.: STRUCTURES OF THE HYDROLASE DOMAIN OF HUMAN 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE AND ITS COMPLE SUBSTRATE ANALOGUE. ACTA CRYSTALLOGR.,SECT.D V. 62 1294 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1308;
A:1309;
A:1310;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZZZ A:1311;
 Valid;
 none;
 submit data
195.179 C7 H9 N5 O2 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CFI 1.85 Å EC: 1.5.1.6 THE HYDROLASE DOMAIN OF HUMAN 10-FTHFD IN COMPLEX WITH 6- FORMYLTETRAHYDROPTERIN HOMO SAPIENS TETRAHYDROFOLATE FOLATE BINDING NADP ONE-CARBON METABOLISOXIDOREDUCTASE PHOSPHOPANTETHEINE
Ref.: STRUCTURES OF THE HYDROLASE DOMAIN OF HUMAN 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE AND ITS COMPLE SUBSTRATE ANALOGUE. ACTA CRYSTALLOGR.,SECT.D V. 62 1294 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2CFI - ZZZ C7 H9 N5 O2 C1[C@@H](N....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4TT8 - 6DD C22 H21 N5 O7 c1cc(ccc1C....
2 4QPD - THG C19 H23 N7 O6 c1cc(ccc1C....
3 4TTS - 6DD C22 H21 N5 O7 c1cc(ccc1C....
4 2CFI - ZZZ C7 H9 N5 O2 C1[C@@H](N....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4TT8 - 6DD C22 H21 N5 O7 c1cc(ccc1C....
2 4QPD - THG C19 H23 N7 O6 c1cc(ccc1C....
3 4TTS - 6DD C22 H21 N5 O7 c1cc(ccc1C....
4 2CFI - ZZZ C7 H9 N5 O2 C1[C@@H](N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ZZZ; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ZZZ 1 1
2 44V 0.54717 0.927273
3 B62 0.54717 0.927273
4 2K8 0.527273 0.913793
5 H4B 0.508475 0.852459
6 BHS 0.508475 0.852459
Similar Ligands (3D)
Ligand no: 1; Ligand: ZZZ; Similar ligands found: 694
No: Ligand Similarity coefficient
1 PH2 1.0000
2 HHR 0.9969
3 PRF 0.9779
4 DQU 0.9759
5 6ME 0.9688
6 FDR 0.9655
7 PQ0 0.9596
8 44W 0.9568
9 4JQ 0.9493
10 0P6 0.9480
11 CLZ 0.9478
12 4YO 0.9429
13 UFO 0.9411
14 0FO 0.9389
15 XHP 0.9387
16 4KL 0.9324
17 CTS 0.9322
18 MVN 0.9320
19 XQI 0.9307
20 E35 0.9304
21 N8Y 0.9296
22 INE 0.9293
23 OTW 0.9290
24 TGX 0.9282
25 ARP 0.9280
26 20J 0.9276
27 Q77 0.9273
28 8WT 0.9272
29 9R5 0.9269
30 C9E 0.9268
31 5RO 0.9267
32 15N 0.9262
33 Q71 0.9258
34 0FK 0.9244
35 1SS 0.9240
36 N2I 0.9232
37 4RU 0.9228
38 H5B 0.9226
39 B5D 0.9225
40 68A 0.9223
41 46M 0.9213
42 ZYR 0.9213
43 8WO 0.9209
44 M1Q 0.9204
45 URC 0.9201
46 NAG 0.9198
47 JXW 0.9195
48 APS 0.9194
49 GJP 0.9186
50 2KA 0.9183
51 2FQ 0.9171
52 JYT 0.9161
53 JVN 0.9159
54 4HC 0.9150
55 NOK 0.9149
56 LNR 0.9149
57 2LY 0.9147
58 94W 0.9142
59 VOH 0.9139
60 DEE 0.9139
61 SRO 0.9134
62 KUF 0.9132
63 NGT 0.9130
64 BCU 0.9124
65 9FL 0.9124
66 DX3 0.9122
67 GC3 0.9118
68 MQN 0.9117
69 EGR 0.9111
70 TWO 0.9109
71 VK3 0.9107
72 MS9 0.9106
73 QX4 0.9102
74 JXK 0.9099
75 61M 0.9098
76 NHG 0.9098
77 DRL 0.9098
78 1F1 0.9097
79 GDL 0.9095
80 I3A 0.9093
81 BGC 0.9090
82 TT4 0.9089
83 5NS 0.9089
84 MO8 0.9089
85 AC2 0.9089
86 XIY 0.9088
87 4TU 0.9088
88 CH9 0.9086
89 Q24 0.9085
90 92P 0.9082
91 UAN 0.9082
92 0TU 0.9081
93 J9Q 0.9081
94 8TX 0.9079
95 ROI 0.9079
96 H7Y 0.9079
97 HQD 0.9078
98 G3F 0.9078
99 CWS 0.9077
100 0JD 0.9075
101 JND 0.9072
102 6NI 0.9072
103 BEA 0.9071
104 LZ2 0.9071
105 5NE 0.9070
106 5OB 0.9068
107 2EC 0.9065
108 8CM 0.9065
109 C2Y 0.9064
110 NFM 0.9062
111 0FN 0.9061
112 EDR 0.9060
113 PE0 0.9058
114 5XC 0.9054
115 AZ8 0.9052
116 2BG 0.9051
117 23J 0.9051
118 7VS 0.9050
119 KIB 0.9050
120 M6N 0.9049
121 8ZE 0.9043
122 CEG 0.9043
123 4ME 0.9042
124 GO8 0.9042
125 BZ3 0.9042
126 8W9 0.9041
127 ICO 0.9038
128 J6W 0.9038
129 AJ2 0.9037
130 3NY 0.9035
131 J9W 0.9034
132 V55 0.9033
133 LTM 0.9033
134 2A9 0.9032
135 5WU 0.9030
136 6VD 0.9029
137 6NT 0.9029
138 5QX 0.9028
139 EOL 0.9028
140 MEW 0.9025
141 OA3 0.9024
142 HKD 0.9024
143 FLV 0.9023
144 CFF 0.9023
145 M5K 0.9023
146 AQO 0.9022
147 JTH 0.9018
148 8GK 0.9016
149 B57 0.9015
150 GCS 0.9014
151 AX3 0.9013
152 GLC 0.9012
153 27B 0.9010
154 1QP 0.9010
155 NDG 0.9008
156 VNL 0.9007
157 VXX 0.9006
158 3DM 0.9004
159 6FZ 0.9003
160 TTL 0.9002
161 2HQ 0.9001
162 GAL 0.9000
163 0XT 0.8999
164 0J5 0.8999
165 12T 0.8996
166 DBH 0.8995
167 86J 0.8994
168 8S0 0.8992
169 NDM 0.8991
170 TNX 0.8988
171 CWJ 0.8988
172 9ZE 0.8988
173 680 0.8987
174 Q7A 0.8986
175 3Y7 0.8986
176 F5C 0.8986
177 Z5P 0.8985
178 JF1 0.8982
179 NGW 0.8979
180 9UL 0.8978
181 GXY 0.8978
182 XDE 0.8977
183 ALE 0.8977
184 DOB 0.8976
185 KJY 0.8976
186 BHA 0.8974
187 3IT 0.8972
188 BDP 0.8972
189 EN1 0.8970
190 B60 0.8968
191 APZ 0.8968
192 NGO 0.8964
193 5QY 0.8962
194 CFA 0.8961
195 KJU 0.8961
196 MUA 0.8959
197 HBI 0.8958
198 QBK 0.8958
199 X05 0.8956
200 TAG 0.8956
201 DHB 0.8955
202 BEU 0.8955
203 7ME 0.8955
204 FA0 0.8948
205 L21 0.8946
206 AEH 0.8946
207 MAQ 0.8946
208 LDP 0.8945
209 069 0.8940
210 4AA 0.8939
211 PNZ 0.8939
212 AJV 0.8938
213 QUS 0.8938
214 3GV 0.8938
215 W8G 0.8938
216 S0E 0.8935
217 6E8 0.8933
218 4NC 0.8932
219 3FH 0.8931
220 A29 0.8931
221 2FY 0.8930
222 WSD 0.8930
223 AZ9 0.8929
224 ES2 0.8929
225 1HN 0.8928
226 TSR 0.8924
227 J9T 0.8923
228 0N7 0.8923
229 2C2 0.8922
230 7MX 0.8922
231 BTY 0.8921
232 8NX 0.8919
233 X04 0.8919
234 NQ 0.8919
235 3HA 0.8918
236 5JQ 0.8918
237 75K 0.8916
238 5RN 0.8915
239 FOT 0.8915
240 XAZ 0.8914
241 NGA 0.8911
242 5FN 0.8909
243 0LH 0.8906
244 TSS 0.8906
245 4M0 0.8906
246 5NI 0.8905
247 4I8 0.8904
248 CTL 0.8903
249 SLC 0.8902
250 H4E 0.8899
251 3PF 0.8897
252 LYL 0.8897
253 RXA 0.8896
254 DUR 0.8896
255 H42 0.8895
256 2L3 0.8894
257 9MG 0.8891
258 3RI 0.8891
259 KDV 0.8890
260 AH9 0.8889
261 SHA 0.8886
262 49O 0.8884
263 4MU 0.8884
264 S24 0.8883
265 9BF 0.8881
266 IFP 0.8880
267 ASO 0.8879
268 EKZ 0.8878
269 505 0.8878
270 42J 0.8877
271 7MU 0.8876
272 TTY 0.8876
273 1P8 0.8874
274 X0V 0.8874
275 NDH 0.8874
276 KT7 0.8873
277 HBO 0.8872
278 15E 0.8872
279 FDB 0.8872
280 5GU 0.8872
281 NHT 0.8872
282 8XL 0.8871
283 MR1 0.8870
284 SHG 0.8869
285 67X 0.8869
286 ICB 0.8867
287 HA5 0.8866
288 JDN 0.8866
289 5CU 0.8864
290 GDE 0.8864
291 IJZ 0.8863
292 4JT 0.8862
293 SXS 0.8862
294 B55 0.8861
295 NOJ 0.8860
296 EMZ 0.8859
297 3M0 0.8859
298 AOS 0.8854
299 2AK 0.8852
300 SOR 0.8852
301 P84 0.8851
302 L99 0.8850
303 MWP 0.8850
304 MYJ 0.8847
305 Q6T 0.8845
306 E7R 0.8844
307 IV2 0.8843
308 5WY 0.8842
309 1LQ 0.8842
310 9DG 0.8840
311 DHK 0.8840
312 M0W 0.8839
313 24W 0.8839
314 263 0.8838
315 A13 0.8837
316 9F8 0.8836
317 54X 0.8835
318 LGC 0.8835
319 PYQ 0.8834
320 DPZ 0.8834
321 4SX 0.8833
322 LOG 0.8830
323 C2U 0.8828
324 TXW 0.8826
325 TEP 0.8826
326 X09 0.8824
327 I3E 0.8824
328 JG8 0.8822
329 57O 0.8821
330 1KP 0.8818
331 G2F 0.8816
332 2O6 0.8816
333 B53 0.8815
334 NID 0.8814
335 KGK 0.8814
336 ISZ 0.8812
337 0F9 0.8811
338 Q88 0.8811
339 EXD 0.8810
340 I2E 0.8810
341 BHQ 0.8809
342 3AL 0.8806
343 4AB 0.8805
344 IAC 0.8805
345 5JT 0.8805
346 BA5 0.8805
347 7ZE 0.8805
348 COU 0.8804
349 AZA 0.8804
350 344 0.8799
351 OCH 0.8798
352 2D0 0.8794
353 SYA 0.8794
354 XM0 0.8794
355 PLP 0.8793
356 E7S 0.8792
357 2AQ 0.8792
358 EA1 0.8792
359 BK9 0.8792
360 BIO 0.8791
361 HA7 0.8789
362 M02 0.8789
363 TIY 0.8789
364 GUN 0.8788
365 5JL 0.8787
366 PEY 0.8786
367 PHE 0.8786
368 ES5 0.8786
369 LCN 0.8785
370 2GS 0.8785
371 3MG 0.8785
372 F34 0.8785
373 209 0.8784
374 GCU 0.8783
375 92K 0.8783
376 30G 0.8783
377 G6P 0.8783
378 NSG 0.8782
379 42C 0.8781
380 03V 0.8778
381 CIP 0.8777
382 2ZQ 0.8776
383 ASC 0.8774
384 IOP 0.8772
385 4FS 0.8772
386 FBB 0.8772
387 HHH 0.8771
388 BNX 0.8771
389 6J9 0.8770
390 A09 0.8770
391 DIN 0.8769
392 9KT 0.8767
393 FA3 0.8767
394 FBU 0.8766
395 PYU 0.8765
396 DHY 0.8764
397 NVU 0.8764
398 9KH 0.8763
399 UFV 0.8763
400 MRW 0.8763
401 8XQ 0.8762
402 G3E 0.8761
403 QPR 0.8760
404 SG2 0.8759
405 948 0.8759
406 86L 0.8759
407 GNM 0.8758
408 8IG 0.8758
409 HLZ 0.8757
410 NPA 0.8756
411 PRZ 0.8756
412 PXL 0.8755
413 IBM 0.8755
414 4XV 0.8755
415 JB5 0.8754
416 2AL 0.8754
417 ZVO 0.8754
418 A2G 0.8753
419 RUY 0.8752
420 0J4 0.8752
421 XAN 0.8752
422 SKM 0.8751
423 FBT 0.8751
424 1SQ 0.8751
425 GNL 0.8750
426 7AP 0.8750
427 D48 0.8749
428 GCB 0.8749
429 MAG 0.8749
430 B4O 0.8747
431 12Q 0.8747
432 9CA 0.8745
433 5NU 0.8745
434 3WA 0.8745
435 SBK 0.8745
436 NOY 0.8745
437 9RW 0.8744
438 1DJ 0.8744
439 1NP 0.8743
440 293 0.8743
441 5SG 0.8743
442 4YS 0.8742
443 A7W 0.8742
444 MJ2 0.8742
445 DBJ 0.8739
446 TOF 0.8739
447 RZH 0.8739
448 HQY 0.8739
449 3F0 0.8738
450 ES1 0.8737
451 K82 0.8735
452 YH7 0.8735
453 JBH 0.8735
454 173 0.8734
455 RH1 0.8733
456 BPU 0.8733
457 CN0 0.8732
458 H2B 0.8731
459 ISN 0.8731
460 ONR 0.8730
461 HHT 0.8729
462 AS3 0.8729
463 N3W 0.8729
464 BM3 0.8729
465 ODO 0.8727
466 PXM 0.8727
467 F4E 0.8726
468 141 0.8726
469 5IQ 0.8725
470 GC2 0.8725
471 K2T 0.8725
472 GLT 0.8725
473 1A7 0.8724
474 HHA 0.8724
475 SKA 0.8723
476 32X 0.8723
477 KJ5 0.8723
478 SOE 0.8722
479 FE DB1 0.8722
480 WOO 0.8721
481 AKH 0.8721
482 CHQ 0.8720
483 64E 0.8720
484 EYK 0.8719
485 O72 0.8719
486 0W8 0.8718
487 ADA 0.8717
488 LT3 0.8717
489 4M4 0.8716
490 5Q0 0.8716
491 GTR 0.8716
492 PFB 0.8715
493 PDC 0.8714
494 5WV 0.8713
495 E7Z 0.8713
496 DX4 0.8713
497 A2F 0.8713
498 H33 0.8713
499 MAJ 0.8712
500 IFL 0.8712
501 7W4 0.8710
502 6AP 0.8710
503 JPZ 0.8709
504 MIG 0.8708
505 SE2 0.8708
506 7W1 0.8708
507 EXR 0.8707
508 BBK 0.8705
509 LI6 0.8704
510 MCO 0.8703
511 1P7 0.8702
512 GJS 0.8702
513 M1H 0.8702
514 1XM 0.8702
515 3C4 0.8702
516 ZXD 0.8702
517 3DO 0.8701
518 YQA 0.8701
519 N5J 0.8701
520 BOA 0.8700
521 DHQ 0.8700
522 2FG 0.8700
523 IGA 0.8700
524 46P 0.8699
525 HDH 0.8699
526 4BZ 0.8698
527 EV0 0.8697
528 J5I 0.8696
529 1LM 0.8696
530 K3Q 0.8696
531 1IT 0.8696
532 GZQ 0.8695
533 QMR 0.8695
534 I4D 0.8693
535 51R 0.8691
536 7HQ 0.8691
537 94B 0.8691
538 4Z4 0.8690
539 AFR 0.8690
540 290 0.8690
541 GOX 0.8689
542 JR2 0.8689
543 HJP 0.8688
544 D07 0.8688
545 SNG 0.8688
546 EVA 0.8687
547 GSY 0.8686
548 T9G 0.8686
549 IPB 0.8685
550 ES0 0.8684
551 428 0.8684
552 IOS 0.8682
553 PFL 0.8682
554 ONZ 0.8682
555 ES7 0.8682
556 CFP 0.8682
557 226 0.8680
558 LZM 0.8679
559 CFI 0.8678
560 GLO 0.8677
561 RD4 0.8677
562 6GU 0.8677
563 KKN 0.8677
564 PMP 0.8675
565 AAN 0.8675
566 XQ0 0.8675
567 PAC 0.8674
568 KOJ 0.8674
569 264 0.8673
570 4FH 0.8673
571 BZX 0.8672
572 PPY 0.8672
573 DA4 0.8672
574 DCZ 0.8672
575 AP4 0.8671
576 4XS 0.8670
577 MT5 0.8670
578 I59 0.8669
579 UNC 0.8669
580 FBW 0.8668
581 A65 0.8668
582 6M4 0.8667
583 L46 0.8665
584 M2K 0.8664
585 K68 0.8663
586 OMD 0.8663
587 HQT 0.8663
588 ORO 0.8660
589 QMS 0.8659
590 DBX 0.8659
591 ZZ8 0.8659
592 2KU 0.8657
593 CWM 0.8657
594 SWA 0.8657
595 1SV 0.8656
596 F31 0.8656
597 GCO 0.8656
598 KFH 0.8655
599 12B 0.8653
600 15L 0.8651
601 BPY 0.8650
602 42A 0.8649
603 OXC 0.8649
604 CLW 0.8649
605 AZG 0.8648
606 HQ6 0.8646
607 36R 0.8645
608 FBG 0.8645
609 4B0 0.8642
610 HH5 0.8642
611 MNN 0.8642
612 PA1 0.8641
613 CSN 0.8639
614 BNT 0.8639
615 GLA 0.8637
616 4XH 0.8636
617 EYV 0.8636
618 4TE 0.8636
619 PX7 0.8633
620 149 0.8633
621 ET2 0.8633
622 ALL 0.8632
623 52C 0.8632
624 AJY 0.8631
625 K37 0.8630
626 EPR 0.8630
627 2F8 0.8629
628 M3Q 0.8628
629 NCT 0.8626
630 2F6 0.8626
631 M4S 0.8624
632 HNQ 0.8624
633 OTR 0.8623
634 TRP 0.8621
635 DGJ 0.8620
636 4OG 0.8617
637 3ID 0.8616
638 2FX 0.8614
639 L1Q 0.8614
640 NLA 0.8614
641 KYA 0.8612
642 6OT 0.8612
643 UEG 0.8611
644 LDR 0.8611
645 SYV 0.8609
646 TLM 0.8609
647 M1E 0.8607
648 G4D 0.8604
649 SMN 0.8603
650 BPN 0.8602
651 XXG 0.8602
652 ZME 0.8588
653 DQA 0.8586
654 TYR 0.8577
655 M5N 0.8576
656 FBV 0.8573
657 SAN 0.8573
658 AMH 0.8572
659 5VM 0.8572
660 M0Q 0.8570
661 APG 0.8570
662 F1A 0.8570
663 2HC 0.8569
664 KBG 0.8567
665 G12 0.8566
666 717 0.8565
667 XFE 0.8565
668 F69 0.8561
669 BCP 0.8560
670 TSU 0.8560
671 FCR 0.8558
672 M1Z 0.8555
673 FF2 0.8552
674 GZ8 0.8551
675 AES 0.8548
676 6XI 0.8545
677 RBJ 0.8544
678 PH3 0.8540
679 6BL 0.8539
680 R20 0.8538
681 KIA 0.8536
682 KJM 0.8536
683 9LI 0.8536
684 GM7 0.8534
685 1U6 0.8532
686 G1P 0.8531
687 G5V 0.8531
688 L7T 0.8530
689 NIY 0.8528
690 61O 0.8528
691 DOR 0.8526
692 R8V 0.8519
693 9KZ 0.8513
694 M1A 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CFI; Ligand: ZZZ; 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: 2cfi.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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