Receptor
PDB id Resolution Class Description Source Keywords
3ITV 1.6 Å EC: 5.3.1.14 CRYSTAL STRUCTURE OF PSEUDOMONAS STUTZERI L-RHAMNOSE ISOMERASE MUTANT S329K IN COMPLEX WITH D-PSICOSE PSEUDOMONAS STUTZERI BETA/ALPHA BARREL HOMO-TETRAMER METAL-BINDING PROTEIN TIMBARREL ISOMERASE
Ref.: CATALYTIC REACTION MECHANISM OF PSEUDOMONAS STUTZERI L-RHAMNOSE ISOMERASE DEDUCED FROM X-RAY STRUCTURES FEBS J. V. 277 1045 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
A:502;
B:503;
B:504;
C:505;
C:506;
D:507;
D:508;
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...
PSJ A:601;
B:602;
C:603;
D:604;
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
2I56 1.97 Å EC: 5.3.1.14 CRYSTAL STRUCTURE OF L-RHAMNOSE ISOMERASE FROM PSEUDOMONAS STUTZERI WITH L-RHAMNOSE PSEUDOMONAS STUTZERI BETA/ALPHA BARREL TIM BARREL HOMO-TETRAMER METAL-BINDING PROTEIN ISOMERASE
Ref.: THE STRUCTURES OF L-RHAMNOSE ISOMERASE FROM PSEUDOMONAS STUTZERI IN COMPLEXES WITH L-RHAMNOSE AND D-ALLOSE PROVIDE INSIGHTS INTO BROAD SUBSTRATE SPECIFICITY J.MOL.BIOL. V. 365 1505 2007
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I56 - RNS C6 H12 O5 C[C@@H]([C....
2 3ITT - RNS C6 H12 O5 C[C@@H]([C....
3 3M0Y - RNS C6 H12 O5 C[C@@H]([C....
4 3M0M - AOS C6 H12 O6 C([C@H]([C....
5 2I57 - AOS C6 H12 O6 C([C@H]([C....
6 3M0H - RNS C6 H12 O5 C[C@@H]([C....
7 3ITO - PSV C6 H12 O6 C([C@@H]1[....
8 3M0V - RNS C6 H12 O5 C[C@@H]([C....
9 3ITL - LRH C6 H12 O5 C[C@H]1[C@....
10 3M0X - PSJ C6 H12 O6 C([C@H]([C....
11 3ITV - PSJ C6 H12 O6 C([C@H]([C....
12 3M0L - PSJ C6 H12 O6 C([C@H]([C....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I56 - RNS C6 H12 O5 C[C@@H]([C....
2 3ITT - RNS C6 H12 O5 C[C@@H]([C....
3 3M0Y - RNS C6 H12 O5 C[C@@H]([C....
4 3M0M - AOS C6 H12 O6 C([C@H]([C....
5 2I57 - AOS C6 H12 O6 C([C@H]([C....
6 3M0H - RNS C6 H12 O5 C[C@@H]([C....
7 3ITO - PSV C6 H12 O6 C([C@@H]1[....
8 3M0V - RNS C6 H12 O5 C[C@@H]([C....
9 3ITL - LRH C6 H12 O5 C[C@H]1[C@....
10 3M0X - PSJ C6 H12 O6 C([C@H]([C....
11 3ITV - PSJ C6 H12 O6 C([C@H]([C....
12 3M0L - PSJ C6 H12 O6 C([C@H]([C....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I56 - RNS C6 H12 O5 C[C@@H]([C....
2 3ITT - RNS C6 H12 O5 C[C@@H]([C....
3 3M0Y - RNS C6 H12 O5 C[C@@H]([C....
4 3M0M - AOS C6 H12 O6 C([C@H]([C....
5 2I57 - AOS C6 H12 O6 C([C@H]([C....
6 3M0H - RNS C6 H12 O5 C[C@@H]([C....
7 3ITO - PSV C6 H12 O6 C([C@@H]1[....
8 3M0V - RNS C6 H12 O5 C[C@@H]([C....
9 3ITL - LRH C6 H12 O5 C[C@H]1[C@....
10 3M0X - PSJ C6 H12 O6 C([C@H]([C....
11 3ITV - PSJ C6 H12 O6 C([C@H]([C....
12 3M0L - PSJ C6 H12 O6 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PSJ; 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: PSJ; Similar ligands found: 557
No: Ligand Similarity coefficient
1 AOS 1.0000
2 GLU 1.0000
3 3BU 0.9775
4 PSV 0.9451
5 OTR 0.9383
6 KDG 0.9348
7 FOC 0.9338
8 SOR 0.9291
9 GLN 0.9264
10 AKG 0.9263
11 TYR 0.9247
12 MTL 0.9246
13 LLH 0.9237
14 069 0.9217
15 AL0 0.9215
16 RB5 0.9213
17 XYL 0.9213
18 RB0 0.9213
19 LFC 0.9210
20 MD0 0.9197
21 HC4 0.9186
22 SF6 0.9184
23 EHM 0.9171
24 45L 0.9166
25 DHI 0.9162
26 SRT 0.9157
27 GLO 0.9145
28 RNS 0.9141
29 RNT 0.9140
30 GP9 0.9135
31 EPR 0.9132
32 GAE 0.9129
33 ONH 0.9121
34 TLA 0.9117
35 LNR 0.9117
36 ROR 0.9112
37 HDH 0.9107
38 DGJ 0.9104
39 MAH 0.9103
40 9J3 0.9103
41 HIS 0.9102
42 A3M 0.9102
43 23J 0.9102
44 SKG 0.9101
45 4VY 0.9097
46 GOJ 0.9094
47 AEF 0.9093
48 AH8 0.9092
49 Q07 0.9087
50 MCO 0.9084
51 GRO 0.9084
52 3YP 0.9080
53 PH3 0.9078
54 5NI 0.9075
55 PGH 0.9075
56 MEV 0.9073
57 6JN 0.9072
58 7BC 0.9070
59 DIG 0.9070
60 13P 0.9068
61 QY9 0.9068
62 ASC 0.9067
63 DAL DAL 0.9064
64 BNF 0.9059
65 DGL 0.9056
66 2IT 0.9056
67 AMH 0.9054
68 HHH 0.9054
69 3PG 0.9053
70 ASN 0.9051
71 KMH 0.9051
72 KDF 0.9042
73 I3E 0.9042
74 A7N 0.9038
75 0QW 0.9038
76 RAT 0.9037
77 0LH 0.9032
78 61M 0.9027
79 ODO 0.9026
80 HIO 0.9021
81 2BX 0.9020
82 R9M 0.9014
83 DIR 0.9013
84 3LR 0.9007
85 E4P 0.9007
86 7MU 0.9006
87 PHE 0.9006
88 6LW 0.9006
89 P7Y 0.9004
90 SAF 0.9004
91 AHC 0.9003
92 EOU 0.9003
93 3DM 0.9003
94 W81 0.9003
95 1L5 0.9002
96 HPP 0.8999
97 3HA 0.8997
98 SAN 0.8994
99 0OC 0.8992
100 7A8 0.8991
101 M74 0.8989
102 DVQ 0.8989
103 8OZ 0.8987
104 4FA 0.8987
105 J9T 0.8986
106 2AS 0.8983
107 5XB 0.8982
108 SD4 0.8980
109 36M 0.8980
110 K6V 0.8975
111 6TZ 0.8974
112 263 0.8973
113 PPY 0.8970
114 TAR 0.8970
115 L14 0.8967
116 4BF 0.8966
117 REL 0.8966
118 PPT 0.8963
119 MUC 0.8962
120 FA1 0.8962
121 B3U 0.8960
122 DEE 0.8956
123 6FZ 0.8955
124 I1E 0.8955
125 XLS 0.8955
126 1H1 0.8955
127 HSO 0.8948
128 PDC 0.8948
129 ZGL 0.8947
130 BDP 0.8945
131 C5A 0.8945
132 2CO 0.8945
133 DZA 0.8945
134 JB8 0.8943
135 CYX 0.8938
136 GLA 0.8938
137 5DI 0.8935
138 HQJ 0.8935
139 SKJ 0.8934
140 ILE 0.8933
141 LNO 0.8933
142 LRH 0.8933
143 GLR 0.8931
144 M4E 0.8930
145 G3P 0.8928
146 YRL 0.8926
147 SYM 0.8924
148 AEH 0.8923
149 OAA 0.8922
150 HHI 0.8922
151 MEQ 0.8922
152 173 0.8920
153 AHB 0.8919
154 7UC 0.8918
155 I38 0.8916
156 E1P 0.8916
157 HIC 0.8914
158 G3H 0.8911
159 HCI 0.8910
160 K6H 0.8908
161 40F 0.8908
162 0A9 0.8907
163 K7M 0.8906
164 LMR 0.8906
165 4HM 0.8906
166 ICB 0.8906
167 MLT 0.8905
168 TT4 0.8904
169 0F9 0.8904
170 CUW 0.8904
171 XIZ 0.8903
172 T9G 0.8903
173 YPN 0.8901
174 HGA 0.8900
175 RES 0.8900
176 8EW 0.8898
177 PFF 0.8897
178 CFA 0.8894
179 ALA ALA 0.8893
180 DII 0.8892
181 ACH 0.8890
182 1GP 0.8889
183 CRN 0.8889
184 JDN 0.8889
185 SQV 0.8888
186 GAL 0.8888
187 5RP 0.8887
188 1A7 0.8886
189 NFM 0.8883
190 SHA 0.8883
191 2FT 0.8881
192 FEH 0.8881
193 1BN 0.8880
194 PEP 0.8879
195 LTL 0.8878
196 FIX 0.8877
197 G8M 0.8877
198 DHS 0.8876
199 AC6 0.8875
200 SN4 0.8875
201 8VN 0.8874
202 IXW 0.8873
203 SVD 0.8872
204 GLC 0.8871
205 2FY 0.8870
206 56D 0.8869
207 CCE 0.8868
208 32O 0.8867
209 DXG 0.8867
210 DAS 0.8867
211 RMN 0.8865
212 MXN 0.8864
213 N9J 0.8863
214 41K 0.8863
215 PKU 0.8863
216 9RW 0.8862
217 ISD 0.8861
218 ICO 0.8859
219 FRU 0.8859
220 TEO 0.8859
221 GUA 0.8858
222 NVU 0.8858
223 3OL 0.8857
224 3OM 0.8857
225 15N 0.8857
226 9YT 0.8854
227 MET 0.8853
228 GGL 0.8852
229 A29 0.8852
230 IAC 0.8850
231 449 0.8850
232 OSE 0.8849
233 HBU 0.8849
234 BGC 0.8849
235 IF7 0.8848
236 4TU 0.8847
237 DPN 0.8847
238 HMS 0.8846
239 TIH 0.8846
240 3R9 0.8845
241 URO 0.8845
242 1SA 0.8845
243 1DJ 0.8845
244 YTX 0.8844
245 BHA 0.8844
246 FLC 0.8843
247 GTL 0.8842
248 3OC 0.8842
249 IPM 0.8841
250 TYE 0.8841
251 NFA 0.8841
252 IPB 0.8840
253 AZM 0.8839
254 ASP 0.8839
255 2HG 0.8839
256 EOL 0.8836
257 3QM 0.8836
258 B40 0.8836
259 5HY 0.8835
260 BHU 0.8834
261 TSS 0.8834
262 M72 0.8832
263 N8P 0.8832
264 92K 0.8832
265 C53 0.8832
266 KTA 0.8831
267 PO6 0.8830
268 GVM 0.8830
269 CIT 0.8829
270 FA0 0.8829
271 CCB 0.8827
272 QUS 0.8825
273 268 0.8825
274 EN1 0.8824
275 APG 0.8824
276 DOB 0.8824
277 8SZ 0.8823
278 0JD 0.8822
279 7N0 0.8822
280 GAF 0.8822
281 OKG 0.8822
282 DJN 0.8821
283 S2G 0.8820
284 HPV 0.8820
285 152 0.8817
286 SEP 0.8814
287 SMN 0.8814
288 LEU 0.8813
289 P58 0.8813
290 P22 0.8813
291 FHC 0.8812
292 2FG 0.8811
293 46P 0.8811
294 8GL 0.8810
295 98J 0.8810
296 HFA 0.8810
297 2F6 0.8809
298 8XL 0.8808
299 4FH 0.8808
300 GZL 0.8807
301 ORN 0.8807
302 HL4 0.8805
303 S2P 0.8804
304 HL5 0.8804
305 95Z 0.8803
306 NYL 0.8803
307 DGN 0.8801
308 FK8 0.8800
309 2UB 0.8800
310 PAC 0.8800
311 R2P 0.8798
312 8WQ 0.8798
313 Q9Z 0.8797
314 4M0 0.8795
315 DBH 0.8794
316 URQ 0.8793
317 149 0.8793
318 5CU 0.8792
319 RUJ 0.8791
320 F9P 0.8790
321 PZI 0.8790
322 J0Z 0.8788
323 M44 0.8787
324 NOJ 0.8785
325 GLL 0.8784
326 GBN 0.8783
327 ENO 0.8782
328 AHR 0.8781
329 NXA 0.8781
330 SPV 0.8778
331 9SE 0.8778
332 P4B 0.8778
333 URP 0.8778
334 I2E 0.8778
335 G4D 0.8778
336 HNK 0.8777
337 IFG 0.8777
338 0CG 0.8775
339 SME 0.8775
340 GWM 0.8775
341 XYH 0.8774
342 3V4 0.8771
343 AMG 0.8770
344 LFR 0.8769
345 3S5 0.8768
346 HYA 0.8768
347 IFL 0.8767
348 AT3 0.8767
349 2AL 0.8767
350 2RH 0.8767
351 ITN 0.8767
352 129 0.8766
353 DA4 0.8765
354 3C7 0.8763
355 P80 0.8760
356 RHU 0.8758
357 MES 0.8758
358 ADA 0.8758
359 TRP 0.8756
360 51R 0.8756
361 97T 0.8756
362 MAJ 0.8756
363 DYT 0.8754
364 SSC 0.8754
365 1P3 0.8750
366 GZ3 0.8750
367 HJ7 0.8749
368 COI 0.8748
369 3M0 0.8747
370 CTS 0.8747
371 ICT 0.8746
372 JFJ 0.8746
373 264 0.8746
374 FBM 0.8744
375 PBA 0.8743
376 GLY ALA 0.8741
377 LYL 0.8741
378 7C3 0.8739
379 2ED 0.8738
380 1CO 0.8737
381 M5E 0.8736
382 TPO 0.8736
383 5WZ 0.8735
384 3SL 0.8734
385 HJH 0.8733
386 AJ3 0.8732
387 EDR 0.8731
388 MNN 0.8729
389 MAN 0.8728
390 SHI 0.8726
391 3MV 0.8725
392 DS0 0.8724
393 UN1 0.8724
394 N6C 0.8722
395 PPR 0.8722
396 5RN 0.8721
397 OEM 0.8720
398 XEN 0.8719
399 DLY 0.8716
400 64Z 0.8715
401 MQB 0.8715
402 NMJ 0.8714
403 258 0.8714
404 NWH 0.8714
405 Q03 0.8713
406 DI6 0.8712
407 KOJ 0.8712
408 DTY 0.8712
409 9ON 0.8711
410 293 0.8711
411 ONL 0.8709
412 ONR 0.8708
413 OAF 0.8707
414 LYS 0.8706
415 KP6 0.8706
416 2H5 0.8706
417 KMT 0.8705
418 DMV 0.8704
419 DEW 0.8703
420 PJL 0.8700
421 IOM 0.8700
422 PC 0.8700
423 MNM 0.8699
424 M6W 0.8699
425 OMD 0.8698
426 ALE 0.8698
427 9BF 0.8696
428 M1T 0.8696
429 40E 0.8691
430 O45 0.8690
431 LY0 0.8690
432 FBW 0.8690
433 94B 0.8689
434 9X6 0.8689
435 SJ5 0.8688
436 TZM 0.8688
437 SNE 0.8686
438 3HG 0.8686
439 DMJ 0.8684
440 6HO 0.8684
441 AEG 0.8682
442 AFS 0.8680
443 ATX 0.8680
444 SBK 0.8677
445 7MW 0.8677
446 SSB 0.8672
447 ZZ2 0.8672
448 BDF 0.8671
449 QMP 0.8668
450 DIE 0.8668
451 NCD 0.8665
452 S24 0.8664
453 X1R 0.8661
454 XI7 0.8660
455 BK9 0.8660
456 HZP 0.8660
457 11C 0.8659
458 GPF 0.8659
459 TOH 0.8658
460 5XA 0.8658
461 XCZ 0.8658
462 SG3 0.8657
463 IOP 0.8656
464 ICF 0.8656
465 DPF 0.8654
466 4ME 0.8654
467 B85 0.8654
468 OOG 0.8653
469 15L 0.8653
470 B0D 0.8649
471 HWD 0.8649
472 NSG 0.8649
473 AHN 0.8649
474 F52 0.8648
475 PAF 0.8647
476 RJY 0.8647
477 650 0.8647
478 6M4 0.8646
479 GRQ 0.8645
480 1X4 0.8643
481 2PG 0.8642
482 YIO 0.8641
483 GNL 0.8641
484 ACA 0.8641
485 2D8 0.8641
486 EMZ 0.8639
487 2C2 0.8638
488 DER 0.8637
489 9RH 0.8636
490 NLE 0.8636
491 GTR 0.8633
492 LYN 0.8632
493 HA7 0.8632
494 1GN 0.8631
495 GPJ 0.8630
496 IFM 0.8627
497 WOO 0.8627
498 R52 0.8626
499 FQI 0.8626
500 0V5 0.8624
501 MRY 0.8624
502 CXP 0.8620
503 CIZ 0.8618
504 49F 0.8618
505 PQZ 0.8617
506 4LR 0.8617
507 B09 0.8617
508 GLF 0.8615
509 MBG 0.8613
510 S7A 0.8612
511 27L 0.8611
512 GCB 0.8611
513 XDE 0.8610
514 H7Y 0.8609
515 SOE 0.8605
516 BRH 0.8605
517 QIC 0.8604
518 1DV 0.8600
519 HQ9 0.8598
520 FF3 0.8598
521 NK1 0.8594
522 SR1 0.8592
523 3HP 0.8591
524 XYP 0.8590
525 AS3 0.8589
526 53C 0.8588
527 PEQ 0.8585
528 A5P 0.8582
529 J4K 0.8578
530 7Y3 0.8576
531 AFR 0.8575
532 M45 0.8575
533 CXF 0.8574
534 JZ7 0.8574
535 B3M 0.8572
536 1N5 0.8572
537 4TB 0.8571
538 KLS 0.8570
539 THE 0.8569
540 BSX 0.8567
541 MED 0.8566
542 JZ4 0.8565
543 TSR 0.8560
544 JQ5 0.8560
545 XBT 0.8558
546 PRA 0.8555
547 4RW 0.8554
548 PHI 0.8552
549 UNA 0.8548
550 6XA 0.8545
551 DXP 0.8541
552 7A3 0.8535
553 M3C 0.8533
554 EGV 0.8527
555 DOR 0.8520
556 DE3 0.8515
557 44V 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2I56; Ligand: RNS; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2i56.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2GYI HYA 10.8808
2 2GYI HYA 10.8808
Pocket No.: 2; Query (leader) PDB : 2I56; Ligand: RNS; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 2i56.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2GYI HYA 10.8808
2 2GYI HYA 10.8808
Pocket No.: 3; Query (leader) PDB : 2I56; Ligand: RNS; 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: 2i56.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2I56; Ligand: RNS; 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: 2i56.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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