Receptor
PDB id Resolution Class Description Source Keywords
2VFU 1.9 Å EC: 1.1.3.41 ALDITOL OXIDASE FROM STREPTOMYCES COELICOLOR A3(2): COMPLEX WITH MANNITOL STREPTOMYCES COELICOLOR FAD SUGAR POLYOL FLAVIN OXIDASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM AND STEREOSELECTIVITY IN STREPTOMYCES COELICOLOR ALDITOL OXIDASE. BIOCHEMISTRY V. 47 978 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1418;
Invalid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MTL A:1419;
Valid;
none;
submit data
182.172 C6 H14 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VFT 1.6 Å EC: 1.1.3.41 ALDITOL OXIDASE FROM STREPTOMYCES COELICOLOR A3(2): COMPLEX SORBITOL STREPTOMYCES COELICOLOR FAD SUGAR POLYOL FLAVIN OXIDASE FLAVOPROTEIN OXIDOREDU
Ref.: STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM AND STEREOSELECTIVITY IN STREPTOMYCES COELICOLOR ALDITO OXIDASE. BIOCHEMISTRY V. 47 978 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 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 1 families.
1 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MTL; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 SOR 1 1
2 MTL 1 1
3 RB0 0.625 0.954545
4 XYL 0.625 0.954545
5 RNT 0.6 0.909091
6 FOC 0.6 0.909091
7 DNO 0.565217 0.909091
8 3BU 0.565217 0.909091
9 GLO 0.565217 0.909091
10 AOS 0.565217 0.909091
11 MRY 0.533333 0.954545
12 DTL 0.533333 0.954545
13 03W 0.5 0.826087
14 GCO 0.48 0.869565
15 CS2 0.48 0.869565
16 S6P 0.464286 0.636364
17 MMN 0.428571 0.617647
18 RB5 0.416667 0.909091
19 ROR 0.416667 0.909091
20 XLS 0.416667 0.909091
21 GOL 0.4 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: MTL; Similar ligands found: 573
No: Ligand Similarity coefficient
1 FUD 0.9940
2 FIX 0.9572
3 SOL 0.9513
4 LPK 0.9450
5 LFC 0.9391
6 KDG 0.9381
7 RAT 0.9320
8 3MF 0.9311
9 XUL 0.9285
10 XYH 0.9278
11 REL 0.9275
12 GLU 0.9263
13 SDD 0.9253
14 PSJ 0.9246
15 TYL 0.9237
16 BHU 0.9233
17 TAR 0.9232
18 BNL 0.9230
19 SRT 0.9226
20 SMN 0.9209
21 GLN 0.9208
22 4HP 0.9203
23 GVG 0.9199
24 RNS 0.9197
25 M4T 0.9191
26 9RW 0.9191
27 TYR 0.9189
28 TAG 0.9185
29 9J3 0.9185
30 EHM 0.9179
31 5FX 0.9178
32 AHB 0.9172
33 HYA 0.9169
34 173 0.9158
35 LNO 0.9157
36 LMR 0.9151
37 SKJ 0.9145
38 TYE 0.9143
39 RBL 0.9139
40 AEG 0.9126
41 PZI 0.9116
42 1H1 0.9114
43 NCT 0.9112
44 KMH 0.9111
45 LNR 0.9108
46 AMH 0.9106
47 LEU 0.9103
48 8OZ 0.9101
49 13P 0.9099
50 2AS 0.9094
51 GGL 0.9093
52 2IT 0.9093
53 B40 0.9090
54 PHE 0.9085
55 MSR 0.9081
56 PMF 0.9081
57 ANN 0.9080
58 AKG 0.9078
59 ALA ALA 0.9076
60 HHH 0.9076
61 J9N 0.9076
62 PNZ 0.9074
63 5XC 0.9073
64 NFM 0.9069
65 9ON 0.9068
66 AL0 0.9065
67 HNK 0.9065
68 23J 0.9061
69 MLT 0.9059
70 RMN 0.9058
71 TSU 0.9056
72 CH9 0.9054
73 HIS 0.9050
74 E4P 0.9047
75 DAL DAL 0.9043
76 PEP 0.9040
77 SD4 0.9039
78 5LA 0.9038
79 ASP 0.9037
80 LDP 0.9034
81 3PG 0.9031
82 HX4 0.9030
83 CPZ 0.9029
84 BZ2 0.9028
85 7VP 0.9023
86 ISZ 0.9022
87 J6W 0.9022
88 6FZ 0.9021
89 TT4 0.9021
90 IFP 0.9019
91 TPO 0.9018
92 OHP 0.9018
93 HSO 0.9015
94 QUS 0.9013
95 1M2 0.9012
96 HMS 0.9011
97 152 0.9010
98 GZL 0.9010
99 1WC 0.9009
100 41K 0.9007
101 PLU 0.9006
102 OSE 0.9005
103 SYM 0.9004
104 HL4 0.9004
105 X0V 0.9001
106 GWM 0.9000
107 SNU 0.8999
108 GRO 0.8996
109 A29 0.8994
110 SEP 0.8992
111 Q9Z 0.8986
112 PH3 0.8986
113 MAH 0.8986
114 CUW 0.8985
115 CXP 0.8985
116 5NI 0.8984
117 SAN 0.8983
118 G3P 0.8983
119 3C4 0.8982
120 92K 0.8981
121 OTR 0.8980
122 PPY 0.8979
123 56D 0.8978
124 L99 0.8978
125 8EW 0.8975
126 HDL 0.8973
127 3SL 0.8971
128 7BC 0.8970
129 DIR 0.8968
130 ONL 0.8966
131 BHO 0.8966
132 E1P 0.8965
133 I4B 0.8965
134 HPS 0.8964
135 3LR 0.8964
136 DLY 0.8963
137 GLR 0.8961
138 SSB 0.8961
139 I1E 0.8961
140 DE5 0.8959
141 3YP 0.8958
142 5VL 0.8957
143 FCR 0.8957
144 S2P 0.8956
145 X1R 0.8954
146 2QC 0.8952
147 A5E 0.8952
148 APG 0.8952
149 LYS 0.8951
150 LUQ 0.8949
151 TIH 0.8948
152 AOT 0.8948
153 1A7 0.8947
154 GP9 0.8947
155 EN1 0.8947
156 61M 0.8946
157 ENO 0.8943
158 2D8 0.8941
159 HL5 0.8941
160 QY9 0.8940
161 0V5 0.8940
162 AG2 0.8939
163 K7M 0.8938
164 OGA 0.8938
165 NIZ 0.8938
166 OAA 0.8936
167 FA1 0.8936
168 1FD 0.8935
169 F4E 0.8935
170 HIC 0.8934
171 2BG 0.8933
172 M5E 0.8933
173 3QM 0.8932
174 SNO 0.8932
175 RNO 0.8932
176 DEW 0.8930
177 PFF 0.8929
178 THE 0.8929
179 6NT 0.8929
180 TYC 0.8928
181 R9S 0.8927
182 9SE 0.8926
183 HNL 0.8926
184 AMS 0.8926
185 PGH 0.8926
186 S24 0.8925
187 A3M 0.8924
188 50C 0.8922
189 ICB 0.8921
190 4BY 0.8919
191 BNF 0.8918
192 3ZB 0.8918
193 M3H 0.8917
194 AHC 0.8916
195 LGT 0.8914
196 1F1 0.8913
197 K34 0.8913
198 NPO 0.8913
199 L13 0.8913
200 HPP 0.8913
201 MEQ 0.8911
202 IOM 0.8910
203 B3M 0.8909
204 6JN 0.8908
205 PKU 0.8908
206 C53 0.8905
207 GJZ 0.8904
208 M4S 0.8904
209 ASN 0.8904
210 RUJ 0.8903
211 FEH 0.8903
212 3HP 0.8903
213 HDH 0.8901
214 G3H 0.8900
215 2FT 0.8900
216 FOM 0.8899
217 LY0 0.8898
218 QDK 0.8898
219 36Y 0.8898
220 HCI 0.8898
221 HGA 0.8897
222 2UB 0.8896
223 HFA 0.8896
224 5XB 0.8895
225 0QW 0.8894
226 DPN 0.8894
227 HNH 0.8892
228 Q07 0.8891
229 98J 0.8890
230 PPT 0.8890
231 PEQ 0.8890
232 8SZ 0.8889
233 0HN 0.8888
234 J0Z 0.8886
235 SME 0.8886
236 C1M 0.8885
237 AAS 0.8884
238 86L 0.8883
239 RJY 0.8883
240 9R5 0.8882
241 KTA 0.8881
242 HPV 0.8880
243 LTL 0.8880
244 JDN 0.8879
245 1Z6 0.8877
246 B3U 0.8877
247 7C3 0.8877
248 PAC 0.8877
249 ORN 0.8876
250 1GP 0.8875
251 PO6 0.8873
252 N2I 0.8872
253 PJW 0.8872
254 DZA 0.8872
255 42J 0.8871
256 263 0.8871
257 F4K 0.8870
258 GZQ 0.8870
259 XDE 0.8868
260 HC4 0.8866
261 NFA 0.8866
262 O45 0.8866
263 4FA 0.8865
264 DXP 0.8865
265 SQ7 0.8862
266 COI 0.8861
267 4J8 0.8861
268 E5X 0.8861
269 36M 0.8860
270 KTJ 0.8860
271 BPW 0.8860
272 DHI 0.8858
273 UA5 0.8857
274 4BF 0.8856
275 SSC 0.8855
276 4NM 0.8855
277 ALE 0.8854
278 FLC 0.8854
279 NLP 0.8851
280 I3E 0.8850
281 J9Q 0.8850
282 4PN 0.8849
283 EGV 0.8849
284 AEF 0.8849
285 B85 0.8847
286 N2Z 0.8845
287 GZ3 0.8845
288 GO2 0.8845
289 80G 0.8845
290 ODO 0.8844
291 NLE 0.8843
292 6KT 0.8843
293 S0W 0.8841
294 SAF 0.8841
295 F9P 0.8841
296 4LW 0.8840
297 I38 0.8840
298 52C 0.8836
299 GUA 0.8833
300 PIM 0.8832
301 PHI 0.8831
302 M74 0.8831
303 FBM 0.8831
304 HBU 0.8830
305 94W 0.8829
306 4LV 0.8828
307 JB8 0.8827
308 HF2 0.8826
309 2AL 0.8826
310 MES 0.8825
311 OOG 0.8823
312 2FY 0.8823
313 HBD 0.8822
314 XIZ 0.8822
315 N9J 0.8822
316 7A8 0.8819
317 0A9 0.8818
318 CIT 0.8818
319 SYC 0.8817
320 DC5 0.8816
321 RBJ 0.8815
322 MEV 0.8814
323 TZF 0.8813
324 E0O 0.8813
325 AHN 0.8813
326 1L5 0.8812
327 DTY 0.8812
328 P81 0.8812
329 B09 0.8811
330 GBN 0.8811
331 DXG 0.8810
332 Q03 0.8810
333 QMP 0.8808
334 M6H 0.8808
335 K6V 0.8807
336 40E 0.8806
337 MUC 0.8804
338 E79 0.8804
339 3CR 0.8803
340 SDF 0.8800
341 XDK 0.8800
342 CHH 0.8799
343 BPN 0.8798
344 IXW 0.8797
345 FBS 0.8797
346 LLH 0.8796
347 DE3 0.8796
348 5OO 0.8794
349 MLE 0.8794
350 N6C 0.8794
351 RUY 0.8793
352 MS9 0.8793
353 3HG 0.8789
354 8ZE 0.8789
355 6C5 0.8788
356 0OC 0.8788
357 IOS 0.8785
358 4SX 0.8784
359 T9G 0.8784
360 4VY 0.8783
361 IP8 0.8782
362 5WZ 0.8782
363 650 0.8781
364 88L 0.8780
365 KMT 0.8780
366 JF6 0.8779
367 GAE 0.8779
368 FK8 0.8778
369 GVY 0.8778
370 CFA 0.8777
371 S8V 0.8777
372 5RP 0.8774
373 YI6 0.8773
374 2HG 0.8773
375 IZC 0.8772
376 DYT 0.8772
377 6ZX 0.8771
378 IPB 0.8771
379 SPV 0.8771
380 DHC 0.8770
381 8NB 0.8770
382 46P 0.8770
383 DHY 0.8770
384 DER 0.8770
385 DDU 0.8768
386 EYV 0.8768
387 EPR 0.8766
388 8U3 0.8764
389 FF3 0.8764
390 HJH 0.8762
391 DGL 0.8761
392 XQI 0.8761
393 OQC 0.8760
394 MAJ 0.8759
395 SHI 0.8757
396 OEG 0.8756
397 KBZ 0.8755
398 4BZ 0.8755
399 15N 0.8755
400 YRL 0.8754
401 449 0.8753
402 258 0.8753
403 7UC 0.8753
404 BHH 0.8753
405 M45 0.8752
406 Q06 0.8752
407 2BX 0.8752
408 4NS 0.8750
409 Q02 0.8750
410 4NP 0.8749
411 GVM 0.8747
412 URQ 0.8747
413 SQV 0.8747
414 R9J 0.8746
415 PPR 0.8746
416 P58 0.8746
417 EOU 0.8746
418 9VZ 0.8745
419 FHC 0.8744
420 0NX 0.8744
421 NF3 0.8744
422 PJL 0.8743
423 KVP 0.8743
424 C82 0.8742
425 92G 0.8741
426 BRH 0.8741
427 VAH 0.8738
428 ACH 0.8738
429 0JD 0.8737
430 DQA 0.8737
431 A7H 0.8737
432 TMG 0.8735
433 FMQ 0.8735
434 YOF 0.8735
435 9YT 0.8734
436 C5A 0.8729
437 11C 0.8728
438 PC 0.8727
439 S2G 0.8727
440 54Z 0.8727
441 HXY 0.8725
442 DGN 0.8724
443 YPN 0.8723
444 GF4 0.8722
445 4JC 0.8722
446 GLY CYS 0.8721
447 9RH 0.8721
448 PZM 0.8720
449 ISA 0.8719
450 PTU 0.8718
451 DII 0.8716
452 4LR 0.8715
453 FA3 0.8714
454 HG3 0.8711
455 NLG 0.8710
456 A7N 0.8708
457 R67 0.8708
458 BCU 0.8705
459 YTX 0.8703
460 TSR 0.8702
461 1X4 0.8701
462 3VW 0.8700
463 CWJ 0.8700
464 PBA 0.8699
465 3OM 0.8698
466 NAG 0.8698
467 DJN 0.8697
468 RES 0.8697
469 PRA 0.8697
470 KPA 0.8694
471 SNE 0.8694
472 GOJ 0.8693
473 AAN 0.8691
474 UN1 0.8690
475 P7Y 0.8690
476 NOK 0.8689
477 XXP 0.8688
478 R2P 0.8688
479 ZGL 0.8687
480 492 0.8686
481 K82 0.8685
482 0VT 0.8684
483 6HO 0.8684
484 N4B 0.8683
485 LZ5 0.8680
486 MPJ 0.8680
487 AMQ 0.8679
488 URS 0.8679
489 SV4 0.8678
490 F90 0.8674
491 TNX 0.8673
492 DVQ 0.8673
493 9GB 0.8672
494 7MW 0.8671
495 3MV 0.8670
496 HHT 0.8670
497 AH8 0.8666
498 MET 0.8664
499 2FX 0.8663
500 MMS 0.8660
501 2CO 0.8660
502 IOP 0.8657
503 BM3 0.8657
504 SG3 0.8656
505 OKG 0.8656
506 DAH 0.8654
507 DHM 0.8652
508 FTV 0.8652
509 4I8 0.8651
510 K2T 0.8649
511 268 0.8649
512 JRB 0.8649
513 MP5 0.8648
514 YIE 0.8647
515 3OL 0.8647
516 MLZ 0.8647
517 7QS 0.8647
518 XBT 0.8647
519 GDL 0.8647
520 LYN 0.8645
521 FZM 0.8644
522 1BN 0.8642
523 RLG 0.8642
524 CCE 0.8642
525 L14 0.8636
526 7Q1 0.8636
527 JZA 0.8635
528 IYR 0.8634
529 TRP 0.8633
530 Y4L 0.8633
531 MVH 0.8631
532 LTT 0.8630
533 LVD 0.8629
534 CCB 0.8628
535 S7J 0.8628
536 DUR 0.8627
537 M6W 0.8626
538 1VK 0.8625
539 TZL 0.8623
540 URO 0.8621
541 33S 0.8618
542 PBN 0.8617
543 R9M 0.8617
544 M44 0.8615
545 4RW 0.8615
546 GLY GLY GLY 0.8613
547 GPF 0.8611
548 X48 0.8610
549 54D 0.8606
550 LX1 0.8599
551 PIY 0.8597
552 DS0 0.8596
553 3V4 0.8595
554 KYN 0.8593
555 CLU 0.8592
556 HX8 0.8590
557 CYX 0.8590
558 LT1 0.8587
559 9BF 0.8584
560 FBB 0.8584
561 CEE 0.8583
562 2B4 0.8575
563 SQ4 0.8571
564 363 0.8567
565 P22 0.8565
566 1CO 0.8563
567 TZM 0.8553
568 271 0.8552
569 DHR 0.8549
570 ZBT 0.8538
571 S0E 0.8531
572 YF3 0.8528
573 BSX 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VFT; Ligand: SOR; 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: 2vft.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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