Receptor
PDB id Resolution Class Description Source Keywords
3VNM 2.12 Å EC: 5.-.-.- CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE WITH D-SORBOSE F CLOSTRIDIUM CELLULOLYTICUM H10 CLOSTRIDIUM CELLULOLYTICUM D-PSICOSE 3-EPIMERASECLOSTRIDIUM CELLULOLYTICUM H10 KETOHEBARREL ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE FROM CL CELLULOLYTICUM H10 AND ITS COMPLEX WITH KETOHEXOSE PROTEIN CELL V. 3 123 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:302;
A:303;
B:302;
B:303;
B:304;
C:302;
C:303;
D:302;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
SDD A:301;
B:301;
C:301;
D:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VNM 2.12 Å EC: 5.-.-.- CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE WITH D-SORBOSE F CLOSTRIDIUM CELLULOLYTICUM H10 CLOSTRIDIUM CELLULOLYTICUM D-PSICOSE 3-EPIMERASECLOSTRIDIUM CELLULOLYTICUM H10 KETOHEBARREL ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-PSICOSE 3-EPIMERASE FROM CL CELLULOLYTICUM H10 AND ITS COMPLEX WITH KETOHEXOSE PROTEIN CELL V. 3 123 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
5 2QUN - FUD C6 H12 O6 C([C@H]([C....
6 2QUM - TAG C6 H12 O6 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SDD; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 SOL 1 1
2 SDD 1 1
3 PSJ 1 1
4 FUD 1 1
5 LPK 1 1
6 TAG 1 1
7 QDK 0.551724 0.956522
8 RBL 0.551724 0.956522
9 XUL 0.551724 0.956522
10 TG6 0.5 0.628571
11 F6R 0.5 0.628571
12 3MF 0.432432 0.846154
13 5FX 0.424242 0.88
14 LER 0.413793 0.956522
15 CS2 0.411765 0.913043
16 GCO 0.411765 0.913043
17 I22 0.404762 0.628571
18 N72 0.404255 0.611111
19 N7T 0.404255 0.611111
Similar Ligands (3D)
Ligand no: 1; Ligand: SDD; Similar ligands found: 502
No: Ligand Similarity coefficient
1 RNS 0.9591
2 RNT 0.9586
3 GLO 0.9456
4 TLA 0.9346
5 XYL 0.9317
6 XLS 0.9296
7 SRT 0.9291
8 AOS 0.9283
9 MTL 0.9253
10 LGT 0.9231
11 HYA 0.9220
12 BHU 0.9203
13 J9T 0.9183
14 FOC 0.9177
15 3BU 0.9160
16 F4E 0.9156
17 ASC 0.9150
18 FRU 0.9149
19 HDH 0.9146
20 263 0.9141
21 FA1 0.9138
22 7MU 0.9132
23 45L 0.9130
24 K6H 0.9128
25 AKG 0.9122
26 OGA 0.9120
27 SOR 0.9118
28 HIO 0.9118
29 EHM 0.9109
30 RB0 0.9107
31 RB5 0.9107
32 LSQ 0.9102
33 MS9 0.9099
34 HC4 0.9097
35 069 0.9073
36 NF3 0.9072
37 HSO 0.9066
38 LFC 0.9060
39 7C3 0.9056
40 OTR 0.9052
41 GZL 0.9051
42 ROR 0.9046
43 3YP 0.9045
44 EOU 0.9038
45 VXX 0.9037
46 FX1 0.9031
47 S2P 0.9028
48 F9P 0.9028
49 R2P 0.9026
50 DAL DAL 0.9025
51 13P 0.9023
52 56D 0.9018
53 CUW 0.9016
54 MEV 0.9013
55 LDP 0.9008
56 SHI 0.9007
57 GP9 0.9007
58 PPY 0.9003
59 P7Y 0.9001
60 DGL 0.9001
61 GLU 0.8992
62 PHE 0.8992
63 268 0.8992
64 6JN 0.8991
65 42J 0.8990
66 KDG 0.8988
67 GOJ 0.8988
68 5WZ 0.8988
69 R20 0.8987
70 LLH 0.8987
71 AL0 0.8987
72 SHA 0.8985
73 MLT 0.8984
74 OOG 0.8983
75 4FA 0.8983
76 A29 0.8982
77 3PG 0.8978
78 TL6 0.8978
79 LNR 0.8976
80 MAH 0.8976
81 PEP 0.8976
82 DHI 0.8975
83 FIX 0.8974
84 1DJ 0.8973
85 FHC 0.8969
86 0LH 0.8967
87 RMN 0.8967
88 MXN 0.8967
89 LYL 0.8965
90 E4P 0.8963
91 MNN 0.8962
92 A3M 0.8962
93 FBM 0.8959
94 IPM 0.8958
95 AHC 0.8953
96 LNO 0.8953
97 AH8 0.8950
98 HIS 0.8949
99 PGH 0.8947
100 5XB 0.8947
101 M74 0.8945
102 LFR 0.8945
103 YRL 0.8942
104 KMH 0.8941
105 L5V 0.8941
106 GLR 0.8940
107 GLC 0.8938
108 RAT 0.8937
109 NIZ 0.8937
110 FK8 0.8935
111 CFI 0.8935
112 I1E 0.8932
113 3C4 0.8929
114 DGN 0.8928
115 264 0.8927
116 8SZ 0.8927
117 ENO 0.8926
118 8OZ 0.8924
119 SYG 0.8924
120 NYL 0.8924
121 92K 0.8923
122 EDR 0.8923
123 92P 0.8921
124 3LR 0.8920
125 CIT 0.8919
126 HHH 0.8919
127 7VP 0.8918
128 4VY 0.8918
129 C5A 0.8917
130 3HG 0.8917
131 173 0.8914
132 BHO 0.8913
133 ALA ALA 0.8910
134 HFA 0.8910
135 N4B 0.8909
136 3CR 0.8909
137 COI 0.8909
138 293 0.8909
139 DIR 0.8908
140 OHJ 0.8905
141 L99 0.8904
142 RJY 0.8902
143 XYH 0.8900
144 PIM 0.8899
145 HPP 0.8898
146 CCB 0.8896
147 DMV 0.8895
148 DEW 0.8894
149 OAA 0.8893
150 6FZ 0.8892
151 QUS 0.8892
152 FEH 0.8892
153 41K 0.8891
154 REL 0.8890
155 HCI 0.8890
156 TEO 0.8888
157 ISZ 0.8888
158 258 0.8885
159 AEH 0.8885
160 9SE 0.8883
161 B40 0.8882
162 4NC 0.8881
163 FA3 0.8880
164 PJL 0.8878
165 M45 0.8874
166 ISD 0.8873
167 3QM 0.8872
168 SAF 0.8870
169 PPT 0.8870
170 AFR 0.8869
171 9J3 0.8867
172 0F9 0.8867
173 P80 0.8867
174 8EW 0.8866
175 TAR 0.8865
176 PRA 0.8864
177 EOL 0.8864
178 PSV 0.8863
179 TYE 0.8863
180 7MW 0.8862
181 SYM 0.8861
182 GTK 0.8860
183 GAE 0.8860
184 HL5 0.8859
185 HA5 0.8858
186 NCT 0.8857
187 N9J 0.8856
188 F31 0.8856
189 BCU 0.8856
190 DEE 0.8856
191 YPN 0.8854
192 C2Y 0.8853
193 BNF 0.8851
194 AEF 0.8851
195 2BX 0.8849
196 K7M 0.8849
197 RBJ 0.8848
198 4RW 0.8847
199 23J 0.8847
200 XDK 0.8847
201 2IT 0.8846
202 MUC 0.8846
203 PAC 0.8844
204 9PY 0.8843
205 GRO 0.8841
206 OMD 0.8841
207 Q9Z 0.8839
208 DHB 0.8835
209 MCO 0.8835
210 H7Y 0.8835
211 2FY 0.8834
212 DQA 0.8832
213 KMT 0.8831
214 7OD 0.8828
215 HNK 0.8827
216 DGJ 0.8827
217 XIZ 0.8827
218 XDE 0.8827
219 ALE 0.8827
220 DHS 0.8823
221 ICB 0.8822
222 FLC 0.8822
223 SMN 0.8821
224 TT4 0.8820
225 DXG 0.8820
226 9KH 0.8819
227 TLM 0.8817
228 TIH 0.8816
229 DHY 0.8815
230 DAS 0.8814
231 PO6 0.8812
232 M6W 0.8811
233 PZI 0.8811
234 0JD 0.8809
235 61M 0.8807
236 B3U 0.8807
237 DPN 0.8806
238 A09 0.8805
239 X0V 0.8804
240 LT1 0.8803
241 HL4 0.8803
242 GVM 0.8802
243 GBN 0.8802
244 PAF 0.8800
245 LTL 0.8799
246 JFJ 0.8797
247 1H1 0.8796
248 3OC 0.8796
249 HIC 0.8796
250 1WC 0.8796
251 IOM 0.8796
252 CRN 0.8796
253 SF6 0.8795
254 7BC 0.8794
255 CFA 0.8794
256 J9N 0.8793
257 I38 0.8793
258 KJM 0.8793
259 2FT 0.8792
260 K34 0.8789
261 9YT 0.8788
262 OHP 0.8788
263 2HG 0.8787
264 ASN 0.8787
265 LX1 0.8786
266 CXP 0.8785
267 2CO 0.8784
268 2F6 0.8784
269 ICO 0.8784
270 9RW 0.8782
271 2AL 0.8782
272 15N 0.8780
273 PKU 0.8780
274 ZXD 0.8780
275 APG 0.8779
276 3OM 0.8779
277 CTS 0.8778
278 SOE 0.8777
279 CAX 0.8777
280 KPL 0.8776
281 PPR 0.8775
282 BPW 0.8775
283 4HM 0.8775
284 HDL 0.8775
285 7QS 0.8774
286 HF2 0.8773
287 53C 0.8772
288 5MK 0.8769
289 NOJ 0.8766
290 QY9 0.8764
291 GTQ 0.8764
292 K6V 0.8763
293 7N0 0.8762
294 ONH 0.8762
295 NFM 0.8761
296 TSS 0.8761
297 J9Q 0.8757
298 ASP 0.8757
299 NWH 0.8754
300 YZM 0.8754
301 5RG 0.8753
302 4PN 0.8752
303 SPV 0.8752
304 1LN 0.8751
305 D3G 0.8750
306 NGT 0.8748
307 LYS 0.8748
308 1CO 0.8747
309 3MV 0.8745
310 NMJ 0.8745
311 SSB 0.8745
312 4FH 0.8742
313 5HY 0.8742
314 NFA 0.8738
315 SF9 0.8738
316 MEQ 0.8737
317 2RH 0.8736
318 4CS 0.8736
319 9TZ 0.8735
320 LMR 0.8735
321 HHI 0.8734
322 46P 0.8734
323 KOJ 0.8731
324 5QY 0.8731
325 CH9 0.8730
326 S2G 0.8730
327 2C2 0.8728
328 GLY GLY 0.8728
329 HQ9 0.8727
330 54G 0.8726
331 K5W 0.8726
332 DS0 0.8725
333 JZ7 0.8723
334 QIC 0.8723
335 PEL 0.8722
336 NAG 0.8720
337 GVG 0.8719
338 SKG 0.8719
339 XEN 0.8719
340 SSC 0.8717
341 3OL 0.8715
342 51R 0.8715
343 DZA 0.8712
344 EN1 0.8712
345 449 0.8712
346 AS3 0.8712
347 289 0.8712
348 7Q1 0.8710
349 KTA 0.8710
350 UN1 0.8709
351 OEM 0.8709
352 DII 0.8709
353 1A7 0.8707
354 ICT 0.8704
355 J0Z 0.8703
356 KDF 0.8703
357 98J 0.8702
358 PBA 0.8702
359 HGA 0.8702
360 S0W 0.8702
361 SBK 0.8702
362 SJ5 0.8701
363 PIY 0.8700
364 5M0 0.8699
365 YTX 0.8699
366 DYT 0.8697
367 SKM 0.8696
368 8XL 0.8696
369 IFL 0.8696
370 TX4 0.8695
371 QMP 0.8695
372 XQI 0.8694
373 SR1 0.8694
374 6PC 0.8692
375 E35 0.8689
376 TZM 0.8688
377 9BF 0.8688
378 DHR 0.8687
379 AHB 0.8685
380 GZQ 0.8685
381 EV0 0.8684
382 49F 0.8684
383 LXP 0.8683
384 HG3 0.8683
385 M1Z 0.8682
386 JRB 0.8682
387 3HP 0.8682
388 40F 0.8681
389 NCD 0.8680
390 DAH 0.8679
391 GJZ 0.8679
392 LEU 0.8678
393 E1P 0.8678
394 KBB 0.8677
395 XCZ 0.8676
396 HPT 0.8675
397 2LY 0.8675
398 BDF 0.8674
399 H4E 0.8674
400 0QW 0.8673
401 PCS 0.8673
402 URS 0.8672
403 EVA 0.8671
404 NSG 0.8671
405 M44 0.8670
406 URQ 0.8669
407 GAL 0.8669
408 RM1 0.8668
409 DA3 0.8668
410 271 0.8666
411 EKZ 0.8665
412 HY1 0.8665
413 1BN 0.8664
414 IJZ 0.8663
415 3HA 0.8662
416 DOR 0.8661
417 P58 0.8660
418 JZ4 0.8658
419 G2F 0.8657
420 LCN 0.8656
421 2LP 0.8655
422 ZZ2 0.8655
423 6CS 0.8655
424 FBW 0.8653
425 TZE 0.8652
426 DI6 0.8651
427 JF6 0.8647
428 NXA 0.8647
429 URO 0.8646
430 M3H 0.8645
431 BDP 0.8645
432 X1P 0.8645
433 PBN 0.8645
434 DYA 0.8644
435 SVD 0.8644
436 1P3 0.8641
437 1VK 0.8640
438 NGW 0.8640
439 RLG 0.8639
440 FBJ 0.8638
441 PEA 0.8638
442 O45 0.8638
443 MRZ 0.8636
444 CXF 0.8634
445 X1R 0.8634
446 C2U 0.8633
447 ZBT 0.8633
448 11C 0.8633
449 DIG 0.8631
450 I2E 0.8624
451 MES 0.8624
452 CYX 0.8624
453 SAL 0.8623
454 I4B 0.8622
455 BE2 0.8621
456 FOT 0.8621
457 YOF 0.8620
458 XM0 0.8618
459 57O 0.8617
460 3SK 0.8616
461 269 0.8615
462 4SX 0.8614
463 B09 0.8613
464 FQI 0.8612
465 EYK 0.8612
466 TPO 0.8612
467 AHR 0.8611
468 4AA 0.8611
469 3FH 0.8609
470 IFP 0.8606
471 IHG 0.8605
472 9ON 0.8602
473 RUY 0.8598
474 IT9 0.8594
475 4ME 0.8592
476 GNL 0.8592
477 CEE 0.8591
478 4P0 0.8590
479 ACH 0.8589
480 7MX 0.8587
481 F34 0.8585
482 AVI 0.8580
483 IOP 0.8579
484 TZL 0.8578
485 2UB 0.8576
486 IFG 0.8576
487 GLY CYS 0.8574
488 LRH 0.8569
489 DLY 0.8567
490 CCE 0.8567
491 GCU 0.8564
492 ATX 0.8562
493 Q03 0.8560
494 LY0 0.8556
495 NFQ 0.8555
496 PSE 0.8544
497 BEU 0.8543
498 D1X 0.8542
499 261 0.8541
500 BRH 0.8539
501 HCT 0.8537
502 BNS 0.8531
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3vnm.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5H1W LER 42.4138
2 5H1W LER 42.4138
Pocket No.: 2; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 3vnm.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5H1W LER 42.4138
2 5H1W LER 42.4138
Pocket No.: 3; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 3vnm.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5H1W LER 42.4138
2 5H1W LER 42.4138
Pocket No.: 4; Query (leader) PDB : 3VNM; Ligand: SDD; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 3vnm.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5H1W LER 42.4138
2 5H1W LER 42.4138
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