Receptor
PDB id Resolution Class Description Source Keywords
3ito 1.9 Å EC: 5.3.1.14 CRYSTAL STRUCTURE OF PSEUDOMONAS STUTZERI L-RHAMNOSE ISOMERA D327N IN COMPLEX WITH D-PSICOSE PSEUDOMONAS STUTZERI BETA/ALPHA BARREL HOMO-TETRAMER METAL-BINDING PROTEIN TIMISOMERASE
Ref.: CATALYTIC REACTION MECHANISM OF PSEUDOMONAS STUTZER 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...
PSV 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: PSV; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 SF9 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 FRU 1 1
6 TA6 0.564103 0.744186
7 F6P 0.564103 0.744186
8 F1X 0.487805 0.744186
9 LRH 0.484848 0.882353
10 FRU FRU FRU 0.479167 0.888889
11 FRU FRU FRU FRU 0.479167 0.888889
12 Z9N GLC 0.44 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: PSV; Similar ligands found: 396
No: Ligand Similarity coefficient
1 6LW 0.9495
2 KDF 0.9491
3 AOS 0.9470
4 PSJ 0.9451
5 DIG 0.9423
6 AH8 0.9397
7 BGC 0.9389
8 32O 0.9387
9 GLC 0.9364
10 YIO 0.9345
11 BDR 0.9330
12 GCS 0.9327
13 RAM 0.9276
14 PA1 0.9271
15 GTL 0.9271
16 5DI 0.9266
17 AHR 0.9262
18 LGC 0.9259
19 3R9 0.9257
20 2XX 0.9255
21 GLF 0.9237
22 RIB 0.9201
23 MBG 0.9193
24 RNS 0.9187
25 RUU 0.9184
26 B0D 0.9183
27 G4D 0.9183
28 HIO 0.9180
29 KBG 0.9179
30 GAF 0.9171
31 MA3 0.9171
32 8VN 0.9161
33 GLA 0.9153
34 IPZ 0.9130
35 FUB 0.9127
36 RM4 0.9123
37 RIP 0.9122
38 MAN 0.9112
39 GAL 0.9111
40 FHN 0.9106
41 GOX 0.9095
42 ROR 0.9095
43 GCO 0.9095
44 AMG 0.9090
45 FUD 0.9090
46 2FG 0.9089
47 FCB 0.9087
48 EHM 0.9078
49 NOJ 0.9077
50 FA6 0.9076
51 149 0.9075
52 EUG 0.9074
53 4M4 0.9074
54 ASC 0.9073
55 GYE 0.9072
56 EOL 0.9070
57 GXL 0.9069
58 3DY 0.9067
59 3C7 0.9066
60 4PW 0.9065
61 N8P 0.9053
62 V55 0.9051
63 DZX 0.9050
64 NMJ 0.9047
65 GLO 0.9042
66 G3F 0.9040
67 SOE 0.9039
68 H76 0.9036
69 ISD 0.9035
70 RBL 0.9034
71 RNT 0.9028
72 7D2 0.9027
73 FH2 0.9024
74 2DR 0.9022
75 FDK 0.9019
76 GOO 0.9013
77 2H5 0.9008
78 F0J 0.9004
79 IFM 0.9004
80 XYP 0.9000
81 0MK 0.8996
82 TLA 0.8996
83 ALL 0.8996
84 XLS 0.8987
85 FUC 0.8984
86 AUD 0.8981
87 FSW 0.8981
88 4P0 0.8979
89 1GN 0.8976
90 NFQ 0.8976
91 CGB 0.8975
92 BMA 0.8971
93 6JN 0.8967
94 12M 0.8967
95 MFU 0.8967
96 ZWZ 0.8965
97 ARB 0.8961
98 ASP 0.8958
99 IFL 0.8956
100 FOT 0.8949
101 SKM 0.8946
102 AFR 0.8942
103 9PY 0.8940
104 6CS 0.8939
105 7VJ 0.8938
106 IJZ 0.8937
107 8S0 0.8934
108 3Z7 0.8930
109 MMA 0.8930
110 BDF 0.8928
111 XYS 0.8922
112 CIT 0.8921
113 DMJ 0.8919
114 XUL 0.8918
115 WOO 0.8917
116 MEV 0.8912
117 PRZ 0.8910
118 6HQ 0.8910
119 9TZ 0.8908
120 SIF 0.8907
121 MSN 0.8905
122 FLC 0.8903
123 ICT 0.8900
124 EV0 0.8899
125 URQ 0.8898
126 Z6J 0.8894
127 1LN 0.8893
128 3DO 0.8893
129 8VE 0.8892
130 KOJ 0.8892
131 X6X 0.8884
132 EYK 0.8881
133 C2U 0.8880
134 FPK 0.8876
135 AS3 0.8873
136 DBX 0.8873
137 FX1 0.8872
138 HQ9 0.8872
139 OMD 0.8872
140 9KH 0.8871
141 54G 0.8871
142 2PG 0.8868
143 N7P 0.8864
144 5M0 0.8864
145 GTQ 0.8864
146 SDD 0.8863
147 1P3 0.8863
148 OEM 0.8862
149 ARW 0.8862
150 5MK 0.8862
151 94B 0.8862
152 RB0 0.8861
153 FCA 0.8858
154 ASO 0.8854
155 95Z 0.8851
156 8WQ 0.8851
157 Q88 0.8847
158 O7U 0.8843
159 6M4 0.8842
160 TAR 0.8842
161 5RG 0.8841
162 2LP 0.8840
163 QIC 0.8838
164 HPA 0.8835
165 3SK 0.8835
166 SFU 0.8834
167 PAF 0.8833
168 3U4 0.8833
169 IPM 0.8833
170 XQG 0.8833
171 G8M 0.8830
172 EXO 0.8829
173 ENL 0.8829
174 II6 0.8828
175 I3A 0.8827
176 FUL 0.8826
177 HHA 0.8825
178 ARA 0.8825
179 G2F 0.8825
180 BE2 0.8823
181 DOR 0.8822
182 SHG 0.8821
183 DIE 0.8820
184 DGJ 0.8819
185 3XX 0.8817
186 G6D 0.8815
187 2MN 0.8813
188 TAG 0.8811
189 4TE 0.8806
190 HMQ 0.8805
191 ZZ3 0.8804
192 34V 0.8801
193 GIV 0.8800
194 PEZ 0.8798
195 7MH 0.8796
196 B2J 0.8795
197 R2B 0.8793
198 FA3 0.8792
199 AZF 0.8790
200 NOY 0.8786
201 7HQ 0.8786
202 ADE 0.8784
203 GLY PRO 0.8784
204 FUF 0.8783
205 OHP 0.8783
206 9MG 0.8782
207 ADA 0.8779
208 4ZC 0.8779
209 SAL 0.8776
210 GTR 0.8775
211 PXL 0.8773
212 263 0.8773
213 15L 0.8772
214 51R 0.8771
215 MLT 0.8770
216 GIF 0.8768
217 XXR 0.8768
218 XAN 0.8767
219 R1X 0.8767
220 42C 0.8766
221 MWP 0.8766
222 JZ3 0.8766
223 REL 0.8766
224 KBB 0.8764
225 MZB 0.8763
226 PBE 0.8763
227 AGK 0.8761
228 3AB 0.8761
229 ES4 0.8759
230 DMV 0.8757
231 VOH 0.8757
232 CTS 0.8756
233 JZ4 0.8754
234 LYL 0.8753
235 1AL 0.8752
236 VNL 0.8751
237 SR1 0.8750
238 LKA 0.8750
239 MNM 0.8749
240 TSS 0.8748
241 CRN 0.8748
242 ORO 0.8747
243 PM6 0.8747
244 3HB 0.8745
245 4CS 0.8743
246 AKH 0.8741
247 Q6T 0.8741
248 QDK 0.8740
249 GIO 0.8739
250 FP1 0.8738
251 AN0 0.8736
252 GCB 0.8735
253 7HP 0.8734
254 1XX 0.8733
255 TFU 0.8731
256 IMR 0.8729
257 261 0.8729
258 ATH 0.8728
259 OXZ 0.8727
260 NK 0.8725
261 DIU 0.8724
262 QM1 0.8724
263 T6C 0.8723
264 M0Q 0.8722
265 5WX 0.8720
266 K6H 0.8720
267 DFU 0.8719
268 7A2 0.8718
269 6R8 0.8718
270 M0W 0.8716
271 53C 0.8716
272 I2M 0.8716
273 HX3 0.8715
274 948 0.8714
275 BDP 0.8710
276 LSA 0.8709
277 7VS 0.8708
278 XYL 0.8707
279 SOL 0.8707
280 9HX 0.8705
281 KPL 0.8703
282 ECG 0.8698
283 0R0 0.8697
284 3MB 0.8692
285 URF 0.8691
286 R8A 0.8691
287 C2A 0.8688
288 GYP 0.8688
289 OW4 0.8687
290 3S4 0.8686
291 GUN 0.8684
292 KDG 0.8684
293 286 0.8684
294 GBN 0.8683
295 DFB 0.8681
296 YSO 0.8681
297 51F 0.8680
298 LER 0.8679
299 KP6 0.8677
300 NCD 0.8676
301 2A7 0.8676
302 329 0.8675
303 HPY 0.8675
304 HXX 0.8675
305 MUC 0.8674
306 41K 0.8674
307 CBF 0.8674
308 ABE 0.8674
309 42J 0.8671
310 SKJ 0.8670
311 WBU 0.8669
312 DHK 0.8669
313 3HA 0.8668
314 PDC 0.8668
315 EKZ 0.8666
316 MFB 0.8666
317 XX3 0.8666
318 ZXD 0.8666
319 8GC 0.8666
320 3F0 0.8664
321 M1E 0.8664
322 EVA 0.8663
323 HLZ 0.8662
324 5RP 0.8660
325 GLY CYS 0.8660
326 GAB 0.8657
327 0W8 0.8653
328 9DG 0.8652
329 OVM 0.8652
330 5ZZ 0.8652
331 BTE 0.8650
332 GCU 0.8646
333 SXS 0.8644
334 4ME 0.8644
335 4RW 0.8644
336 1AB 0.8643
337 JF4 0.8641
338 0LH 0.8641
339 NDM 0.8640
340 TBP 0.8636
341 G5V 0.8635
342 SR4 0.8634
343 X1E 0.8633
344 GTZ 0.8628
345 MLE 0.8627
346 F31 0.8625
347 XCZ 0.8622
348 GV9 0.8622
349 HYA 0.8622
350 SRO 0.8620
351 3MG 0.8620
352 NTM 0.8619
353 3DM 0.8618
354 2ZQ 0.8616
355 URC 0.8614
356 2EC 0.8613
357 OXC 0.8612
358 CIZ 0.8611
359 FPY 0.8610
360 EDG 0.8610
361 3OC 0.8608
362 3RK 0.8603
363 VAH 0.8600
364 210 0.8599
365 NLA 0.8599
366 KIA 0.8595
367 0RN 0.8595
368 MD0 0.8592
369 DBH 0.8591
370 3M0 0.8590
371 MVL 0.8588
372 INS 0.8585
373 A13 0.8583
374 IF7 0.8582
375 4NC 0.8582
376 TZE 0.8579
377 KYD 0.8579
378 3BZ 0.8579
379 PHT 0.8577
380 25W 0.8577
381 MIG 0.8572
382 JIF 0.8571
383 CCB 0.8567
384 NEQ 0.8565
385 X09 0.8562
386 OAF 0.8559
387 UEG 0.8558
388 UAN 0.8546
389 OAA 0.8545
390 TRA 0.8542
391 260 0.8539
392 KLW 0.8538
393 4AV 0.8534
394 SYG 0.8528
395 DHQ 0.8519
396 T9G 0.8514
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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