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Receptor
PDB id Resolution Class Description Source Keywords
1UJ5 2 Å EC: 5.3.1.6 CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS RIBOSE-5-PHOSPHATE COMPLEXED WITH RIBOSE-5-PHOSPHATE THERMUS THERMOPHILUS ENZYME-SUBSTRATE COMPLEX RIKEN STRUCTURAL GENOMICS/PROTEOMIINITIATIVE RSGI STRUCTURAL GENOMICS ISOMERASE
Ref.: OXYANION HOLE-STABILIZED STEREOSPECIFIC ISOMERIZATI RIBOSE-5-PHOSPHATE ISOMERASE (RPI) J.BIOL.CHEM. V. 278 49183 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5RP A:302;
Valid;
none;
Ki = 0.89 mM
230.11 C5 H11 O8 P C([C@...
CL A:300;
A:301;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UJ5 2 Å EC: 5.3.1.6 CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS RIBOSE-5-PHOSPHATE COMPLEXED WITH RIBOSE-5-PHOSPHATE THERMUS THERMOPHILUS ENZYME-SUBSTRATE COMPLEX RIKEN STRUCTURAL GENOMICS/PROTEOMIINITIATIVE RSGI STRUCTURAL GENOMICS ISOMERASE
Ref.: OXYANION HOLE-STABILIZED STEREOSPECIFIC ISOMERIZATI RIBOSE-5-PHOSPHATE ISOMERASE (RPI) J.BIOL.CHEM. V. 278 49183 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 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....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 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....
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: 5RP; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 5RP 1 1
2 HMS 1 1
3 5SP 1 1
4 XBP 0.657895 0.944444
5 RUB 0.657895 0.944444
6 F6R 0.641026 0.972222
7 TG6 0.641026 0.972222
8 I22 0.609756 0.972222
9 DER 0.594595 0.891892
10 DEZ 0.594595 0.891892
11 DXP 0.578947 0.815789
12 RES 0.536585 0.673469
13 PA5 0.512195 0.891892
14 R10 0.512195 0.891892
15 GOS 0.5 0.916667
16 P6T 0.5 0.944444
17 2FP 0.5 0.944444
18 M2P 0.5 0.916667
19 P6F 0.5 0.944444
20 LG6 0.488372 0.891892
21 6PG 0.488372 0.891892
22 HG3 0.485714 0.783784
23 PAN 0.466667 0.673469
24 9C2 0.456522 0.66
25 4TP 0.452381 0.75
26 LXP 0.45 0.944444
27 A5P 0.45 0.944444
28 LX1 0.45 0.815789
29 DX5 0.45 0.944444
30 XUL 0.444444 0.638889
31 QDK 0.444444 0.638889
32 RBL 0.444444 0.638889
33 S6P 0.439024 0.916667
34 KD0 0.425532 0.891892
35 E4P 0.425 0.861111
36 5FX 0.421053 0.605263
37 TX4 0.418605 0.632653
38 R5P 0.418605 0.916667
39 R52 0.418605 0.916667
40 DG6 0.418605 0.918919
41 3PG 0.410256 0.837838
42 H4P 0.408163 0.772727
43 52L 0.408163 0.723404
44 DG2 0.404762 0.810811
45 AGP 0.4 0.75
46 G6Q 0.4 0.916667
47 M6R 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UJ5; Ligand: 5RP; Similar sites found with APoc: 417
This union binding pocket(no: 1) in the query (biounit: 1uj5.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5IXB LGA None
2 1XXA ARG None
3 1XPJ TLA None
4 1ONI BEZ None
5 2EW1 GNP None
6 4YCA NDP 0.881057
7 4LHW GNP 1.14943
8 6BYF CIT 1.17647
9 2PV7 NAD 1.32159
10 4ZVV GN0 1.76211
11 4ZVV NAD 1.76211
12 3FPZ AHZ 1.76211
13 3NJ4 NAD 1.76211
14 3WGT FAD 1.76211
15 2P3V SRT 1.76211
16 3WGT QSC 1.76211
17 4NBU NAI 1.76211
18 1KYQ NAD 1.76211
19 3IID APR 1.89573
20 1YS4 NAP 2.20264
21 1ORR NAD 2.20264
22 1LDM NAD 2.20264
23 2GN4 UD1 2.20264
24 5ZI2 ADP 2.20264
25 4G5H UD7 2.20264
26 4G5H NAP 2.20264
27 1WPY BTN 2.20264
28 4TXJ THM 2.20264
29 2DXU BT5 2.20264
30 2F1K NAP 2.20264
31 5F90 GLA GAL BGC 5VQ 2.5641
32 5F90 GLA GAL 2.5641
33 1O6Z NAD 2.64317
34 2J5V PCA 2.64317
35 2GNM MAN 2.64317
36 1IUP ALQ 2.64317
37 6F9Q NAD 2.64317
38 4O0L NDP 2.64317
39 1M2K APR 2.64317
40 4JK3 NAD 2.64317
41 1ZGA SAH 2.64317
42 1BXK NAD 2.64317
43 3GD4 FAD 2.64317
44 2B6N ALA PRO THR 2.64317
45 4J4H 1J1 2.64317
46 4J4H NAI 2.64317
47 2OHH FMN 2.64317
48 3L9W AMP 2.64317
49 4D1J DGJ 2.64317
50 3L9W GSH 2.64317
51 4BV6 FAD 2.64317
52 6FA4 GNP 2.89017
53 1VG8 GNP 2.89855
54 4H2D FMN 3.0303
55 2Z3Y F2N 3.0837
56 4BVA T3 3.0837
57 4BVA NDP 3.0837
58 1RSG FAD 3.0837
59 5UAV NDP 3.0837
60 4WEI GLC GAL 3.0837
61 5N2I NAP 3.0837
62 2IV2 2MD 3.0837
63 5UAV TFB 3.0837
64 1GPE FAD 3.0837
65 6CUZ FEV 3.0837
66 3NC9 TR3 3.0837
67 5OJL TXP 3.0837
68 3LAD FAD 3.0837
69 3ICS FAD 3.0837
70 4GDX GLU 3.0837
71 1YY5 FAD 3.0837
72 4IV9 FAD 3.0837
73 6A0S NDP 3.0837
74 6A0S HSE 3.0837
75 2Q1W NAD 3.0837
76 4J7U NAP 3.0837
77 4J7U YTZ 3.0837
78 1UTJ ABN 3.0837
79 1SC3 MLI 3.40909
80 4INB 1F6 3.42466
81 3O9Z NAD 3.52423
82 3O9Z AKG 3.52423
83 9LDB NAD 3.52423
84 5U0L 8YP 3.52423
85 5J60 FAD 3.52423
86 9LDT NAD 3.52423
87 2YG3 FAD 3.52423
88 1VI2 NAD 3.52423
89 5NMX NAP 3.52423
90 1J49 NAD 3.52423
91 2EV9 SKM 3.52423
92 2EV9 NAP 3.52423
93 2GZ3 NAP 3.52423
94 1NPD NAD 3.52423
95 4TQG NDP 3.52423
96 2WET FAD 3.52423
97 4C3Y FAD 3.52423
98 1XKQ NDP 3.52423
99 4YKG FAD 3.52423
100 5NMX FAD 3.52423
101 3B1F NAD 3.52423
102 4XDA ADP 3.55987
103 4XDA RIB 3.55987
104 2ZFZ ARG 3.79747
105 4EU7 CIT 3.96476
106 4EU7 COA 3.96476
107 3QJ4 FAD 3.96476
108 1Q0H FOM 3.96476
109 1Q0H NDP 3.96476
110 1GR0 NAD 3.96476
111 1RP0 AHZ 3.96476
112 1SC6 NAD 3.96476
113 5L95 AMP 3.96476
114 2HK9 ATR 3.96476
115 2DTX BMA 3.96476
116 2HK9 NAP 3.96476
117 1V97 MTE 3.96476
118 3WMX NAD 3.96476
119 4D7E FAD 3.96476
120 3ZFD ANP 3.96476
121 5AOV NAP 3.96476
122 2Q2V NAD 3.96476
123 5Z20 NAI 3.96476
124 2WCU FUC 4.02685
125 3QBT GNP 4.28571
126 3OA2 NAD 4.40529
127 4D04 NAP 4.40529
128 4D04 FAD 4.40529
129 5G3U ITW 4.40529
130 4DPL NAP 4.40529
131 1ZBQ NAD 4.40529
132 4MDH NAD 4.40529
133 6C4N NAP 4.40529
134 3ABI NAD 4.40529
135 5MDH NAD 4.40529
136 5X68 FAD 4.40529
137 2CVQ NDP 4.40529
138 2RGJ FAD 4.40529
139 1V59 FAD 4.40529
140 5XWV NDP 4.40529
141 1ZK7 FAD 4.40529
142 5ZBC FAD 4.40529
143 3HRD FAD 4.40529
144 5GVR LMR 4.40529
145 2DT9 THR 4.79042
146 4AP3 FAD 4.84582
147 4AP3 NAP 4.84582
148 4NBW NAD 4.84582
149 3RFV 15L 4.84582
150 2E5V FAD 4.84582
151 1COY FAD 4.84582
152 1COY AND 4.84582
153 2AWN ADP 4.84582
154 3RFV NAI 4.84582
155 4MIG G3F 4.84582
156 1NYT NAP 4.84582
157 5G4L NDP 4.84582
158 5GWT SIN 4.84582
159 5GWT NAD 4.84582
160 1OC2 TDX 4.84582
161 1OC2 NAD 4.84582
162 1YQD NAP 4.84582
163 2RGH FAD 4.84582
164 1HKU NAD 4.84582
165 2CDN ADP 4.97512
166 3FHI ANP 5.19481
167 3QF7 ANP 5.20548
168 1M26 GAL A2G 5.26316
169 1RM0 NAI 5.28634
170 2YYY NAP 5.28634
171 2C7G ODP 5.28634
172 4ZCC FAD 5.28634
173 6CEP NAD 5.28634
174 6CEP OXM 5.28634
175 1A5Z NAD 5.28634
176 1QO8 FAD 5.28634
177 2C7G FAD 5.28634
178 2VVL FAD 5.28634
179 2A92 NAI 5.28634
180 1D6H COA 5.28634
181 6F97 FAD 5.28634
182 4OM8 NAD 5.28634
183 2NU8 COA 5.28634
184 2IXB NAD 5.28634
185 2IXB A2G 5.28634
186 2BL9 NDP 5.28634
187 5Y1G NAD 5.28634
188 5Y1G AKB 5.28634
189 1Z0J GTP 5.29412
190 1YVD GNP 5.32544
191 5MZY 8EZ 5.72687
192 4GKV NAD 5.72687
193 1OMO NAD 5.72687
194 3VPH OXM 5.72687
195 3VPH NAD 5.72687
196 4REP FAD 5.72687
197 3ITJ FAD 5.72687
198 4Y4V DAL 5.72687
199 2Q7V FAD 5.72687
200 2YIV YIV 5.72687
201 4UP3 FAD 5.72687
202 2DBZ NAP 5.72687
203 4YNU FAD 5.72687
204 6BQ6 TER 5.72687
205 1Z45 NAD 5.72687
206 2O4C NAD 5.72687
207 5ZZ6 NAD 5.76923
208 5ZZ6 ADP 5.76923
209 4USI AKG 5.84416
210 2VT3 ATP 6.04651
211 2DT5 NAD 6.16114
212 5TTJ FAD 6.1674
213 1G4U AF3 6.1674
214 5VKT NAP 6.1674
215 5K0A FAD 6.1674
216 4RSL FAD 6.1674
217 2HQM FAD 6.1674
218 1FEC FAD 6.1674
219 5OC1 FAD 6.1674
220 5Y6Q FAD 6.1674
221 1A8U BEZ 6.1674
222 5BRT FAD 6.1674
223 2GAG NAD 6.19048
224 4PYA 2X3 6.21118
225 1Z0N BCD 6.25
226 4NTO 1PW 6.28019
227 3LN9 FLC 6.47482
228 1ZUI SKM 6.54762
229 2RI1 GLP 6.60793
230 2BKX F6R 6.60793
231 2HJR APR 6.60793
232 1DJN ADP 6.60793
233 1CF2 NAP 6.60793
234 4YAG NAI 6.60793
235 2F5Z FAD 6.60793
236 3X0V FAD 6.60793
237 5J7X FAD 6.60793
238 2FR1 NDP 6.60793
239 5U5N NAD 6.60793
240 2XVF FAD 6.60793
241 3ORF NAD 6.60793
242 1FIQ SAL 6.60793
243 4PPF FLC 6.60793
244 5EXE 5SR 6.60793
245 1P77 ATR 6.60793
246 1N62 FAD 6.62651
247 5XC5 GTP 6.81818
248 2I3G NAP 7.04846
249 1U1I NAD 7.04846
250 4MOP 2H5 7.04846
251 5YU3 NAD 7.04846
252 5YU3 PRO 7.04846
253 4GK9 MAN BMA MAN MAN MAN 7.04846
254 1KNR FAD 7.04846
255 6A3J NAI 7.04846
256 1BZL FAD 7.04846
257 5EB4 FAD 7.04846
258 1DLJ UGA 7.04846
259 6A3J SOE 7.04846
260 5YAP NAI 7.04846
261 2NPX NAD 7.04846
262 5YAP 8S0 7.04846
263 3CGB FAD 7.04846
264 5FI3 NAP 7.04846
265 4PLT OXM 7.48899
266 4PLT NAI 7.48899
267 1SOW NAD 7.48899
268 3AXB PRO 7.48899
269 3AXB FAD 7.48899
270 4PLG NAI 7.48899
271 4PLG OXM 7.48899
272 1PZG A3D 7.48899
273 5TWB FAD 7.48899
274 1VL1 CIT 7.48899
275 5XH2 NPO 7.48899
276 4PU5 ANP 7.48899
277 5FAH 5VT 7.58929
278 4KVG GTP 7.7381
279 3BXF 13P 7.92952
280 1GUZ NAD 7.92952
281 3BXF FBP 7.92952
282 5BJX NAD 7.92952
283 5BJX UDP 7.92952
284 1GV0 NAD 7.92952
285 2NVA PL2 7.92952
286 4N8I COA 8.37004
287 4HXY NDP 8.37004
288 1V8B NAD 8.37004
289 3WBF NAP 8.37004
290 3LU1 NAD 8.37004
291 3OJO NAD 8.37004
292 3WBF API 8.37004
293 1H6C SIN 8.37004
294 1SB8 NAD 8.81057
295 1SB8 UD2 8.81057
296 6AA8 NAD 8.81057
297 3TNF GNP 8.81057
298 5Z21 NAI 8.81057
299 3LZW FAD 8.81057
300 1MV8 NAD 8.81057
301 1LDN NAD 8.81057
302 3UDG TMP 8.81057
303 1H82 GZZ 9.2511
304 1H82 FAD 9.2511
305 5NUF NAD 9.2511
306 5NUE NAD 9.2511
307 1REO FAD 9.2511
308 3A06 NDP 9.2511
309 2V2V V12 9.2511
310 1Q1R FAD 9.2511
311 2VAP GDP 9.2511
312 1VQW FAD 9.2511
313 3S5W FAD 9.2511
314 4XTX 590 9.2511
315 2GVC FAD 9.2511
316 5EIN NAP 9.25926
317 1ZEM NAD 9.69163
318 6AMI TRP 9.69163
319 1ZH8 NAP 9.69163
320 3EB9 FLC 9.69163
321 4E5N NAD 9.69163
322 1EZ4 NAD 9.69163
323 5GSN FAD 9.69163
324 1W5F G2P 9.69163
325 4ZOH FAD 9.69163
326 5A04 BGC 9.69163
327 5A04 NDP 9.69163
328 2ZXI FAD 9.69163
329 6AM8 PLT 9.69163
330 1NM5 NAD 9.85222
331 1UPT GTP 10
332 6ER9 FAD 10.1322
333 6ER9 NAP 10.1322
334 4M52 M52 10.1322
335 1KEW NAD 10.1322
336 4GLL NAD 10.1322
337 2A8X FAD 10.1322
338 1NVM NAD 10.1322
339 1KEW TYD 10.1322
340 2RAB FAD 10.1322
341 2O66 FLC 10.3704
342 1NAA 6FA 10.5727
343 1D4D FAD 10.5727
344 1NAA ABL 10.5727
345 5Z75 NAD 10.5727
346 5TQZ GLC 10.6667
347 1WDK NAD 11.0132
348 3DNT ATP 11.0132
349 5JCA FAD 11.0132
350 3AD8 NAD 11.0132
351 5J6Y GLC 11.1702
352 5J6Y BGC 11.1702
353 4L50 D8X 11.4537
354 4XYB NDP 11.4537
355 1NVT NAP 11.8467
356 5TS5 FAD 11.8943
357 2WPF WPF 11.8943
358 2WPF FAD 11.8943
359 5DN9 NAD 11.8943
360 4HA6 FAD 11.8943
361 2PZM NAD 11.8943
362 2PZM UDP 11.8943
363 6GAS FAD 11.8943
364 4E13 NAD 11.8943
365 3NRZ HPA 12.1951
366 2HV8 GTP 12.2093
367 1VKO NAD 12.3348
368 1GZ6 NAI 12.3348
369 1FS5 TLA 12.7753
370 1GTE FAD 12.7753
371 1F8G NAD 12.7753
372 3NZ1 3NY 13.2159
373 2R40 EPH 13.2159
374 5EZ7 FAD 13.2159
375 2J9D ADP 13.4454
376 3AB4 THR 13.4831
377 2DTJ THR 13.4831
378 1YJQ NAP 13.6564
379 1NJR XYL 13.6564
380 6H3O FAD 13.6564
381 3WQQ IB3 14.5374
382 3WQQ NDP 14.5374
383 2NAD NAD 14.5374
384 4YRY FAD 14.5374
385 5WLB GNP 14.7059
386 4J56 FAD 14.9123
387 5JWC FAD 14.978
388 3O5N BR0 15.1786
389 3ZQ6 ADP ALF 15.4185
390 1LTH NAD 15.859
391 3BAZ NAP 15.859
392 5EOW FAD 15.859
393 4ZRN UPG 16.2996
394 4ZRN NAD 16.2996
395 2IID FAD 16.7401
396 2IID PHE 16.7401
397 5SZH GNP 16.7488
398 2BGM NAJ 17.1806
399 2IVD FAD 17.1806
400 1O94 ADP 18.0617
401 4KP7 NAP 18.9427
402 4KP7 1UQ 18.9427
403 5KKA 6V0 19.8238
404 1NE7 AGP 19.8238
405 4XQC NAD 19.8238
406 4XQC 13D 19.8238
407 5A1T NAI 19.8238
408 5A1T OXM 19.8238
409 3ZNN FAD 21.1454
410 3ZNN 4WL 21.1454
411 3I7S PYR 22.9075
412 4OOE NDP 22.9075
413 5N6C NAD 25.9912
414 5YFT RI2 27.7533
415 1UAD GNP 29.2929
416 1UDB UFG 32.5991
417 1UDB NAD 32.5991
Pocket No.: 2; Query (leader) PDB : 1UJ5; Ligand: 5RP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1uj5.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UJ5; Ligand: 5RP; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 1uj5.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2GN4 NDP 2.20264
2 5ZI2 NAD 2.20264
3 3A4V PYR 2.64317
4 3A4V NAD 2.64317
5 5ZYN FAD 2.64317
6 1Q19 APC 2.64317
7 4XB2 NDP 3.0837
8 3AB1 FAD 3.0837
9 4FWE FAD 4.40529
10 5G3U FDA 4.40529
11 4ZCC NAI 5.28634
12 1J5P NAD 6.60793
13 4CQM NAP 7.48899
14 1H6C NDP 8.37004
15 4GUS FAD 8.87097
16 4HSU FAD 8.87097
17 2GV8 FAD 9.2511
18 5NA1 FAD 11.0132
19 6F3M NAD 14.0969
20 2GSD NAD 14.5374
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