-->
Receptor
PDB id Resolution Class Description Source Keywords
1M0S 1.9 Å EC: 5.3.1.6 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG ID IR21) HAEMOPHILUS INFLUENZAE D-RIBOSE 5-PHOSPHATE ISOMERASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM IR21 HAEMOPHILUS INFLUENZAE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NES
Ref.: D-RIBOSE-5-PHOSPHATE ISOMERASE, IR21 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:501;
B:502;
Valid;
Valid;
none;
none;
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192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M0S 1.9 Å EC: 5.3.1.6 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG ID IR21) HAEMOPHILUS INFLUENZAE D-RIBOSE 5-PHOSPHATE ISOMERASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM IR21 HAEMOPHILUS INFLUENZAE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NES
Ref.: D-RIBOSE-5-PHOSPHATE ISOMERASE, IR21 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1M0S - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1M0S - CIT C6 H8 O7 C(C(=O)O)C....
2 3ENW - 5RP C5 H11 O8 P C([C@H]([C....
3 3ENV - ABF C5 H11 O8 P C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UJ6 Ki = 0.89 mM A5P C5 H13 O8 P C([C@H]([C....
2 1UJ5 Ki = 0.89 mM 5RP C5 H11 O8 P C([C@H]([C....
3 1M0S - CIT C6 H8 O7 C(C(=O)O)C....
4 1LK7 - DER C4 H9 O8 P C([C@@H]([....
5 3ENW - 5RP C5 H11 O8 P C([C@H]([C....
6 3ENV - ABF C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M0S; Ligand: CIT; Similar sites found with APoc: 445
This union binding pocket(no: 1) in the query (biounit: 1m0s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1R4A GNP None
2 1UPT GTP None
3 3RWO GDP None
4 2D37 FMN None
5 2D37 NAD None
6 2HV8 GTP None
7 3DNT ATP 0.913242
8 2ANM CDO 1.36986
9 1A2C 34H LEU PRJ OAR 1.36986
10 4LX0 BEF GDP 1.36986
11 4IQY AR6 1.36986
12 2QHD DAO 1.63934
13 3QJ4 FAD 1.82648
14 5GWT NAD 1.82648
15 5GWT SIN 1.82648
16 5YU3 PRO 1.82648
17 5YU3 NAD 1.82648
18 1Z82 NDP 1.82648
19 1FS5 TLA 1.82648
20 1FK8 NAD 1.82648
21 1H82 FAD 2.28311
22 1H82 GZZ 2.28311
23 3GDN FAD 2.28311
24 3GDN HBX 2.28311
25 2EW1 GNP 2.48756
26 1VL1 CIT 2.73973
27 2AQJ TRP 2.73973
28 2AQJ FAD 2.73973
29 4E5N NAD 2.73973
30 2I3G NAP 2.73973
31 1Q9I FAD 2.73973
32 1Q9I TEO 2.73973
33 2NVK FAD 2.73973
34 4JK3 NAD 2.73973
35 5TTJ FAD 2.73973
36 1NVM NAD 2.73973
37 4J4H 1J1 2.73973
38 4J4H NAI 2.73973
39 3O9Z AKG 2.73973
40 2JAH NDP 2.73973
41 3UZO GLU 2.73973
42 4USR FAD 2.73973
43 2JAP NDP 2.73973
44 5VKT NAP 2.73973
45 1RP0 AHZ 2.73973
46 2JAJ D20 2.73973
47 1KYQ NAD 2.73973
48 1F06 2NP 2.73973
49 1F06 NDP 2.73973
50 2G50 PYR 2.73973
51 2RI1 GLP 3.19635
52 5DN9 NAD 3.19635
53 3WQQ NDP 3.19635
54 3WQQ IB3 3.19635
55 1TDF NAP 3.19635
56 5G3U ITW 3.19635
57 5G3U FDA 3.19635
58 4MOP 2H5 3.19635
59 5AYV NAP 3.19635
60 3GGO ENO 3.19635
61 1TDF FAD 3.19635
62 1GZ4 ATP 3.19635
63 4F2Q QUS 3.19635
64 4ZFL 4NK 3.19635
65 5OC1 FAD 3.19635
66 5YEC ATP 3.19635
67 2OG2 MLI 3.19635
68 3GGO NAI 3.19635
69 2DTX BMA 3.19635
70 5FI3 NAP 3.19635
71 3LL5 IPE 3.19635
72 2Q2V NAD 3.19635
73 5LD5 NAD 3.19635
74 5NMX FAD 3.19635
75 2B6N ALA PRO THR 3.19635
76 1RM4 NDP 3.19635
77 4KQW NAP 3.19635
78 5JE0 SAH 3.19635
79 1DJN ADP 3.19635
80 5JE0 AZ8 3.19635
81 5KMS FAD 3.19635
82 2D2I NAP 3.19635
83 5U5N NAD 3.19635
84 4B9E FAH 3.19635
85 2OFW ADX 3.36538
86 1T57 FMN 3.39806
87 3NKV GNP 3.42857
88 1O3Y GTP 3.61446
89 2J59 GTP 3.61446
90 1YS4 NAP 3.65297
91 3ZEI AWH 3.65297
92 4GK9 MAN BMA MAN MAN MAN 3.65297
93 1Q0H FOM 3.65297
94 1Q0H NDP 3.65297
95 5N2I NAP 3.65297
96 5W3K NDP 3.65297
97 6AA8 NAD 3.65297
98 5W3K 9TY 3.65297
99 6A3J SOE 3.65297
100 6A3J NAI 3.65297
101 3CTY FAD 3.65297
102 5FEU NAP 3.65297
103 1GEE NAD 3.65297
104 2GCG NDP 3.65297
105 3ABI NAD 3.65297
106 1SC6 NAD 3.65297
107 4D7E FAD 3.65297
108 6F5W KG1 3.65297
109 1DQX BMP 3.65297
110 5USZ SKE 3.65297
111 5VYH FOL 3.65297
112 5EXE 5SR 3.65297
113 2PV7 NAD 3.65297
114 1RQ2 CIT 3.65297
115 2PEZ DAT 3.91061
116 2PEZ GGZ 3.91061
117 5XC5 GTP 3.97727
118 1Z0K GTP 4.06977
119 2YYY NAP 4.10959
120 5ZYN FAD 4.10959
121 2BKX F6R 4.10959
122 3FPZ AHZ 4.10959
123 5J7X FAD 4.10959
124 5ZI2 NAD 4.10959
125 3EB9 FLC 4.10959
126 5XDT MB3 4.10959
127 5XDT GDP 4.10959
128 4RJK TPP 4.10959
129 1PL6 NAD 4.10959
130 4RJK TDL 4.10959
131 5JWC FAD 4.10959
132 2BIF ANP 4.10959
133 1YNQ NDP 4.10959
134 1X6V ADP 4.10959
135 2RHO GDP 4.10959
136 1K6M AGS 4.10959
137 4BVA NDP 4.10959
138 4BVA T3 4.10959
139 5ZI2 ADP 4.10959
140 5EES NAP 4.10959
141 2HMT NAI 4.16667
142 3WB0 FEG 4.21687
143 1JAY NAP 4.24528
144 1RC0 KT5 4.30622
145 5ZZ6 NAD 4.32692
146 5ZZ6 ADP 4.32692
147 4N8I COA 4.56621
148 5ZBC FAD 4.56621
149 3AY6 BGC 4.56621
150 3AY6 NAI 4.56621
151 1ZK7 FAD 4.56621
152 2UUU FAD 4.56621
153 5WKC AUJ 4.56621
154 4WB6 ATP 4.56621
155 1T9D P22 4.56621
156 3ULK NDP 4.56621
157 1FL2 FAD 4.56621
158 3B1F NAD 4.56621
159 5WKC TP9 4.56621
160 5Z20 NAI 4.56621
161 5N6C NAD 4.56621
162 1LDN NAD 4.56621
163 2C42 TPP 4.56621
164 2C42 PYR 4.56621
165 3KB6 NAD 4.56621
166 1C1X NAD 4.56621
167 5EE5 GTP 4.69484
168 1YVD GNP 4.73373
169 5J6Y GLC 4.78723
170 5J6Y BGC 4.78723
171 2EV9 NAP 4.94297
172 2EV9 SKM 4.94297
173 5YAP 8S0 5
174 5YAP NAI 5
175 2YG3 FAD 5.02283
176 2Z3Y F2N 5.02283
177 1GTE FAD 5.02283
178 1FFU CDP 5.02283
179 3BAZ NAP 5.02283
180 2XVE FAD 5.02283
181 3A06 FOM 5.02283
182 5EB4 FAD 5.02283
183 5AOV NAP 5.02283
184 5UWS GNP 5.02283
185 6A0S NDP 5.02283
186 6A0S HSE 5.02283
187 5UWP GNP 5.02283
188 3X0V FAD 5.02283
189 5NM7 GLY 5.02283
190 2XVF FAD 5.02283
191 4TSK NDP 5.02283
192 5DI9 GNP 5.02283
193 5UWO GNP 5.02283
194 3A06 NDP 5.02283
195 5DHF GNP 5.02283
196 5Y8L HUI 5.02283
197 5Y8L NAD 5.02283
198 3WYG GTP 5.02283
199 3AXB FAD 5.02283
200 5UWQ GNP 5.02283
201 5UWU GNP 5.02283
202 5UWT GNP 5.02283
203 5UWR GNP 5.02283
204 1NZY BCA 5.02283
205 4TQG NDP 5.02283
206 5UWW GNP 5.02283
207 2YVK MRU 5.02283
208 5UWI GNP 5.02283
209 5UWJ GNP 5.02283
210 4JTA NAP 5.02283
211 5T79 NDP 5.02283
212 5Z2M GTP 5.11364
213 5B48 TDN 5.2459
214 1VG8 GNP 5.31401
215 2W83 GTP 5.45455
216 2C7G FAD 5.47945
217 2C7G ODP 5.47945
218 1J49 NAD 5.47945
219 1YJQ NAP 5.47945
220 3AYI HCI 5.47945
221 3AYI FAD 5.47945
222 1VI2 NAD 5.47945
223 1OFU GDP 5.47945
224 4YRY FAD 5.47945
225 1NPD NAD 5.47945
226 5U0L 8YP 5.47945
227 4ZKD GDP 5.47945
228 4HXY NDP 5.47945
229 1AE1 NAP 5.47945
230 5GT9 NAP 5.47945
231 4HAT GNP 5.55556
232 3GJX GTP 5.55556
233 5DI3 GNP 5.70342
234 1UAD GNP 5.71429
235 5WDR GNP 5.84795
236 4K81 GTP 5.84795
237 5UAO FAD 5.93607
238 4XYB NDP 5.93607
239 4AT0 FAD 5.93607
240 6CI9 NAP 5.93607
241 5GSN FAD 5.93607
242 2VHW NAI 5.93607
243 4XB2 NDP 5.93607
244 1XKQ NDP 5.93607
245 2Q7V FAD 5.93607
246 4XB2 HSE 5.93607
247 3A4V NAD 5.93607
248 3A4V PYR 5.93607
249 1U7T NAD 5.93607
250 1U7T TDT 5.93607
251 1E6W NAD 5.93607
252 1E3W NAD 5.93607
253 3TKL GTP 5.93607
254 6AMI TRP 5.93607
255 5WLB GNP 6.0241
256 3MN7 ATP 6.12245
257 1W5F G2P 6.39269
258 4M52 M52 6.39269
259 2V2V V12 6.39269
260 1ZH8 NAP 6.39269
261 2GSD NAD 6.39269
262 6C4N NAP 6.39269
263 5H81 NAP 6.39269
264 1VL8 NAP 6.39269
265 5Z21 NAI 6.39269
266 2BTO GTP 6.48148
267 2HYQ MAN MAN 6.55738
268 2GUC MAN 6.55738
269 3BC1 GNP 6.77966
270 1CF2 NAP 6.84932
271 2NAD NAD 6.84932
272 3ZFD ANP 6.84932
273 3CW9 AMP 6.84932
274 3CTL S6P 6.84932
275 2IYA UDP 6.84932
276 2UZ1 TPP 6.84932
277 5F5N NAD 6.84932
278 5THQ NDP 6.98529
279 3LF0 ATP 7.01754
280 3BXF FBP 7.30594
281 3WBF NAP 7.30594
282 4DPL NAP 7.30594
283 1NAA ABL 7.30594
284 1NAA 6FA 7.30594
285 1JNR FAD 7.30594
286 3WBF API 7.30594
287 2NU8 COA 7.30594
288 2GZ3 NAP 7.30594
289 1Z45 NAD 7.30594
290 4NTD FAD 7.30594
291 6F97 FAD 7.30594
292 3BXF 13P 7.30594
293 1NYT NAP 7.30594
294 6GNC FAD 7.30594
295 2CFC NAD 7.30594
296 5T2U NAP 7.30594
297 4GLL NAD 7.30594
298 4PXL NAD 7.30594
299 1WA5 GTP 7.30594
300 1GUA GNP 7.40741
301 4RHE FMN 7.6555
302 4L50 D8X 7.76256
303 4FWE FAD 7.76256
304 3M89 GSP 7.76256
305 1OMO NAD 7.76256
306 2CUL FAD 7.76256
307 1PVN MZP 7.76256
308 1IBR GNP 7.76256
309 4XDY NAI 7.76256
310 5YFT RI2 7.76256
311 5ITZ GTP 7.87402
312 1ONI BEZ 7.97101
313 4LHW GNP 8.04598
314 3QBT GNP 8.04598
315 5UAV TFB 8.21918
316 5UAV NDP 8.21918
317 3WYF GTP 8.21918
318 5I0H ADP BEF 8.21918
319 5CAE SIN 8.21918
320 5CAE COA 8.21918
321 4HA6 FAD 8.21918
322 3LAD FAD 8.21918
323 2IXB A2G 8.21918
324 2IXB NAD 8.21918
325 2ZKJ ADP 8.21918
326 5KKA 6V0 8.21918
327 2IV3 UDP 8.21918
328 1NE7 AGP 8.6758
329 5THZ SAH 8.6758
330 1D4D FAD 8.6758
331 2DBZ NAP 8.6758
332 5THY SAH 8.6758
333 3Q9T FAY 8.6758
334 1Z6Z NAP 8.6758
335 4JNA FAD 8.6758
336 6BII NAP 8.6758
337 1GR0 NAD 8.6758
338 5BO9 CSF 8.6758
339 5BO9 SIA GAL NGS 8.6758
340 1REO FAD 9.13242
341 4YNU FAD 9.13242
342 4YNU LGC 9.13242
343 4K26 SFF 9.13242
344 3QVP FAD 9.13242
345 1WDK NAD 9.13242
346 3OA2 NAD 9.13242
347 5MPT SAH 9.13242
348 1D6S MET PLP 9.13242
349 1D6S PLP MET 9.13242
350 1QO8 FAD 9.58904
351 4CQM NAP 9.58904
352 1S16 ANP 9.58904
353 5JCA FAD 9.58904
354 4ZI2 GNP 9.77444
355 4C3Y FAD 10.0457
356 3HRD MCN 10.0457
357 1YQD NAP 10.1093
358 2WET FAD 10.5023
359 4OOE NDP 10.5023
360 4OOE FOM 10.5023
361 1YY5 FAD 10.5023
362 1RSG FAD 10.5023
363 1XHL NDP 10.5023
364 1LUA NAP 10.5023
365 2VBF TPP 10.5023
366 2VYN NAD 10.5023
367 2BME GNP 10.7527
368 5TWB FAD 10.9589
369 4AP3 FAD 10.9589
370 4AP3 NAP 10.9589
371 2AWN ADP 10.9589
372 4XDZ NDP 10.9589
373 5E4R NAP 10.9589
374 3ORF NAD 10.9589
375 2GJ8 ALF GDP 11.0465
376 3I7S PYR 11.4155
377 1UXG FUM 11.4155
378 1UXG NAD 11.4155
379 2HJR APR 11.4155
380 2O4C NAD 11.4155
381 1N62 MCN 11.4458
382 4II2 ATP 11.6564
383 5LXT GTP 11.8721
384 1KNR FAD 11.8721
385 2RH4 EMO 11.8721
386 1RYD NDP 11.8721
387 3QV1 NAD 12.1951
388 4ZCC NAI 12.3288
389 4ZCC FAD 12.3288
390 2VAP GDP 12.7854
391 1E1M NAP 12.7854
392 1E1M FAD 12.7854
393 1E6E FAD 12.7854
394 4HSU FAD 12.9032
395 4GUT FAD 12.9032
396 4YCA NDP 13.242
397 1O6Z NAD 13.242
398 2IID PHE 13.242
399 2IID FAD 13.242
400 3ITJ FAD 13.242
401 1NVT NAP 13.5889
402 5B47 PYR 13.6986
403 5B47 TPP 13.6986
404 2BNE U5P 13.6986
405 3QKT ANP 13.6986
406 4HDO GNP 13.7725
407 3X1Z GNP 13.7725
408 3QF7 ANP 14
409 4W6Z 8ID 14.1553
410 2VVL FAD 14.1553
411 4GUS FAD 14.2857
412 4KVG GTP 14.2857
413 2E5V FAD 14.6119
414 5TS5 FAD 15.0685
415 1VKO NAD 15.0685
416 3ICR FAD 15.0685
417 3ICT FAD 15.0685
418 3ICS FAD 15.0685
419 2A5F GTP 15.544
420 4KP7 NAP 15.9817
421 4KP7 1UQ 15.9817
422 1H6C NDP 15.9817
423 2VK4 TPP 15.9817
424 3HBF UDP 15.9817
425 2AE2 NAP 16.895
426 2AE2 PTO 16.895
427 3KIF GDL 16.9811
428 1QZR ANP 17.3516
429 2J9D ADP 17.6471
430 1GPE FAD 17.8082
431 6GAR FAD 19.6347
432 1Z0J GTP 21.7647
433 1COY FAD 21.9178
434 5MBX FAD 22.3744
435 5MBX SP5 22.3744
436 2QCS ANP 22.3744
437 1HFE CYS 24.3902
438 3TNF GNP 24.6575
439 2UZI GTP 25
440 5GUD 2IT 25.1142
441 5GUD NDP 25.1142
442 5GUD CIT 25.1142
443 1YBH P22 28.7671
444 1LOJ URI 47.1264
445 6CIT GNP 47.619
Pocket No.: 2; Query (leader) PDB : 1M0S; Ligand: CIT; Similar sites found with APoc: 50
This union binding pocket(no: 2) in the query (biounit: 1m0s.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3GGU 017 None
2 5A89 ADP 1.28205
3 5A89 FMN 1.28205
4 4ZLU 4PW 2.28311
5 4ZLU ADP 2.28311
6 2R75 01G 2.73973
7 5J60 FAD 2.73973
8 1RM0 NAI 3.19635
9 3MKH FAD 3.19635
10 3GPO APR 3.57143
11 5VW2 FDA 3.65297
12 5VW2 NAP 3.65297
13 5FJN FAD 3.65297
14 5FJN BE2 3.65297
15 1O94 ADP 3.65297
16 3B9Q MLI 3.65297
17 3R51 MMA 3.75
18 6C8X BVR 4.0404
19 1PS9 FAD 4.10959
20 4KQI RBZ 4.10959
21 1JA9 NDP 4.10959
22 5Y1G AKB 4.56621
23 1FEC FAD 5.02283
24 1GQ2 NAP 5.02283
25 5XGX DAS DLY 5.02283
26 3SM2 478 5.30303
27 5YSS NAD 5.47945
28 2ZXI FAD 5.47945
29 2CUN 3PG 5.47945
30 4ZG4 VO4 ADP 5.93607
31 4TXJ THM 8.21918
32 6BKA FMN 8.6758
33 4J7U YTZ 8.6758
34 4J7U NAP 8.6758
35 1EBF NAD 8.6758
36 3RYC GTP 9.09091
37 4K26 NDP 9.13242
38 4J56 FAD 9.13242
39 3HRD FAD 10.0457
40 6F7L FAD 10.5023
41 6GAS FAD 10.9589
42 5YV5 ADP 10.9589
43 3NJ4 NAD 10.9589
44 4EI7 GDP 11.8721
45 3V2U ATP 12.7854
46 5EIN NAP 13.242
47 3A75 GLU 14.0541
48 2J9C ATP 17.6471
49 1COY AND 21.9178
50 3FHI ANP 31.1688
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