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Receptor
PDB id Resolution Class Description Source Keywords
1XJK 2.12 Å EC: 1.17.4.1 STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN RIBONUCLEOTIDE REDUCTASE: DGTP-ADP COMPLEX THERMOTOGA MARITIMA RIBONUCLEOTIDE REDUCTASE 10 ALPHA-BETA BARREL ALLOSTERIC REGULATION SUBSTRATE SPECIFICITY PROTEIN-NUCLEOTIDE COMPLOXIDOREDUCTASE
Ref.: STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIF REGULATION IN A RIBONUCLEOTIDE REDUCTASE. NAT.STRUCT.MOL.BIOL. V. 11 1142 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1001;
B:1002;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
DGT A:1003;
B:1004;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc2...
MG A:1005;
B:1006;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O0Q 1.8 Å EC: 1.17.4.1 THERMOTOGA MARITIMA RIBONUCLEOTIDE REDUCTASE, NRDJ, IN COMPL DTTP, GDP AND ADENOSINE THERMOTOGA MARITIMA 10 ALPHA/BETA BARREL ADENOSYLCOBALAMIN DEPENDENT RIBONUCLEREDUCTASE REDUCTION RIBONUCLEOTIDE 2-prime -OH POSITION EFFECTOSUBSTRATE GDP OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR ADENOSYLCOBALAMIN ACTIVATION I ADOCBL-DEPENDENT RIBONUCLEOTIDE REDUCTASES. ACS CHEM.BIOL. V. 5 933 2010
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1XJG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1XJJ - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 1XJN - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
4 1XJM - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
5 1XJF - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
6 1XJE - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 3O0N - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
8 3O0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3O0O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1XJK - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1XJG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1XJJ - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 1XJN - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
4 1XJM - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
5 1XJF - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
6 1XJE - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 3O0N - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
8 3O0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3O0O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1XJK - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1XJG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1XJJ - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 1XJN - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
4 1XJM - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
5 1XJF - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
6 1XJE - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 3O0N - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
8 3O0Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3O0O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 1XJK - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Ligand no: 2; Ligand: DGT; Similar ligands found: 100
No: Ligand ECFP6 Tc MDL keys Tc
1 DGT 1 1
2 DGI 0.897436 1
3 DGP 0.775 0.986842
4 DG 0.775 0.986842
5 GH3 0.673913 0.948052
6 GTP 0.659341 0.923077
7 DG DG 0.639175 0.91358
8 0O2 0.622449 0.935065
9 CGP 0.6 0.914634
10 GP3 0.597826 0.9
11 GDP 0.591398 0.923077
12 GSP 0.561224 0.878049
13 G3D 0.561224 0.935065
14 DTP 0.557895 0.909091
15 HF7 0.556701 0.897436
16 G4P 0.55 0.935065
17 GAV 0.55 0.888889
18 DC DG 0.53913 0.891566
19 GNH 0.536082 0.911392
20 G1R 0.535354 0.911392
21 G2R 0.533981 0.961538
22 9GM 0.53 0.9
23 GNP 0.53 0.9
24 5GP 0.521277 0.910256
25 G 0.521277 0.910256
26 GCP 0.52 0.924051
27 GPX 0.514563 0.922078
28 GPD 0.513514 0.902439
29 G5P 0.509091 0.9
30 GTG 0.504587 0.86747
31 G3A 0.5 0.9
32 G2P 0.5 0.936709
33 GDC 0.495413 0.888889
34 GDD 0.495413 0.888889
35 GKE 0.495413 0.888889
36 GMV 0.49505 0.9
37 DI 0.494737 0.960526
38 6CK 0.486486 0.86747
39 DAT 0.484536 0.909091
40 Y9Z 0.481818 0.880952
41 GP2 0.48 0.936709
42 JB2 0.477876 0.888889
43 GFB 0.477477 0.888889
44 GDR 0.477477 0.888889
45 GPG 0.472222 0.888889
46 3GP 0.46875 0.897436
47 2GP 0.46875 0.935065
48 ALF 5GP 0.466019 0.823529
49 GKD 0.464912 0.888889
50 BGO 0.462185 0.878049
51 8DG 0.461538 0.857143
52 GDX 0.46087 0.9
53 P2G 0.459184 0.860759
54 MGP 0.456311 0.888889
55 JB3 0.453782 0.878049
56 GDP ALF 0.453704 0.823529
57 ALF GDP 0.453704 0.823529
58 6G0 0.451923 0.888889
59 CAG 0.451613 0.818182
60 GMP 0.450549 0.810127
61 NGD 0.45 0.888889
62 P1G 0.45 0.873418
63 YGP 0.446429 0.835294
64 3PD UM3 0.446281 0.86747
65 G1G 0.444444 0.857143
66 DG DC 0.44186 0.925926
67 GCP G 0.441441 0.873418
68 GDP AF3 0.440367 0.823529
69 N5P 0.439252 0.75
70 DUT 0.438776 0.7875
71 DG DA DC DG 0.43662 0.880952
72 01G 0.433628 0.903614
73 C1Z 0.432432 0.935065
74 TPG 0.430769 0.782609
75 DCP 0.43 0.848101
76 CF2 0.428571 0.802326
77 2MD 0.427419 0.827586
78 GGM 0.427419 0.857143
79 U2G 0.42623 0.86747
80 CG2 0.419355 0.86747
81 MGD 0.417323 0.827586
82 TTP 0.415842 0.759036
83 MD1 0.415385 0.848837
84 PGD 0.415385 0.857143
85 DA DU DG DA 0.414634 0.835294
86 FEG 0.414634 0.858824
87 G G 0.413793 0.876543
88 ZGP 0.41129 0.848837
89 DDS 0.409524 0.858974
90 3AT 0.409524 0.871795
91 DBG 0.409091 0.878049
92 3ZE 0.407767 0.886076
93 6U4 0.407407 0.853659
94 GDP 7MG 0.40678 0.843373
95 GPC 0.40625 0.816092
96 DA DC DG DA 0.402685 0.914634
97 SGP 0.401961 0.807229
98 7D4 0.401961 0.814815
99 AGO 0.401575 0.86747
100 DC DG DA DC 0.401408 0.902439
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O0Q; Ligand: ADN; Similar sites found with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 3o0q.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FLC 1.10497
2 3RGZ BLD 1.86335
3 1V6A TRE 2.10843
4 2PLK P3D 2.14797
5 3HQP OXL 2.20441
6 2G30 ALA ALA PHE 2.32558
7 3I7S PYR 2.39726
8 4UCF GLA 2.48447
9 4X1B MLI 2.63975
10 5IKI A9H 2.68293
11 1NXJ GLV 2.73224
12 4KCT PYR 3.40681
13 2WME NAP 3.46939
14 4CP8 MLI 3.49076
15 4G9N NGA 3.4965
16 4GYS MLI 3.54267
17 3MMH SME 3.59281
18 3PDB OAA 3.74065
19 5WS9 OXL 3.78947
20 5OCQ CIT 3.85965
21 5L2R MLA 4.13907
22 4NYT PC 4.14747
23 5C1P ADP 4.24837
24 2F7A BEZ 4.31034
25 1IZC PYR 4.42478
26 1OPB RET 4.47761
27 6DAM PQQ 4.53809
28 4JX1 CAM 4.57831
29 5ETJ IM5 4.62963
30 2G50 PYR 4.71698
31 3LN9 FLC 5.03597
32 1I0B PEL 5.42169
33 2A8Y MTA 5.55556
34 1UYY BGC BGC 6.10687
35 1MAI I3P 6.10687
36 5AOA PPI 6.29371
37 1K4M CIT 6.57277
38 3IWJ NAD 6.95825
39 3W9K MYR 7.19424
40 3FDZ DG2 7.393
41 5F1V 3VN 7.40741
42 1UPF URF 7.58929
43 4YLZ LAT NAG GAL 7.84314
44 4TYO 39X 8.13008
45 4GNC ASO 8.3612
46 1MFI FHC 8.77193
47 3T0W DIW 8.94309
48 1Y7P RIP 8.96861
49 1QAW TRP 9.45946
50 2ZX2 RAM 9.74359
51 3ZZL TRP 10
52 3ZZS TRP 10.7692
53 3ZZQ TRP 10.7692
54 1JE1 GMP 11.0169
55 2JC9 ADN 11.1712
56 3IWD M2T 16.1765
57 2V2G BEZ 18.8841
58 5LY3 ADP 31.25
Pocket No.: 2; Query (leader) PDB : 3O0Q; Ligand: ADN; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 3o0q.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4CVC PQQ 1.22378
2 1ELU PDA 1.79487
3 3UG4 AHR 1.98413
4 3N2O AG2 2.17391
5 1W73 NAP 2.31788
6 1VMK GUN 2.52708
7 2XWL CTP 2.69058
8 3WXL ADP 3.10559
9 5W75 SUC 3.31633
10 4DFU QUE 3.41615
11 5KO1 6UY 3.53357
12 1RYD GLC 4.13437
13 5BU2 ADP 4.18502
14 4JX1 CAH 4.57831
15 1VBJ CIT 4.98221
16 1XTT U5P 5.55556
17 2IRY DGT 5.61056
18 2VQ5 HBA 7.46269
19 2YVE MBT 7.56757
20 1C3M MAN MAN 8.16327
21 4JGP PYR 8.29493
22 4QAR ADE 8.45771
23 4CT7 TRP 9.25926
24 3UCJ AZM 9.69163
25 2NW9 FT6 9.80392
26 5CIC 51R 10.1852
27 5GZZ GSH 10.5505
28 2XYA 7L4 10.989
29 4WUJ FMN 14.2857
Pocket No.: 3; Query (leader) PDB : 3O0Q; Ligand: TTP; Similar sites found with APoc: 61
This union binding pocket(no: 3) in the query (biounit: 3o0q.bio1) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FLC 1.10497
2 3RGZ BLD 1.86335
3 1V6A TRE 2.10843
4 2PLK P3D 2.14797
5 3N2O AG2 2.17391
6 3HQP OXL 2.20441
7 2G30 ALA ALA PHE 2.32558
8 3I7S PYR 2.39726
9 4UCF GLA 2.48447
10 4X1B MLI 2.63975
11 1XX4 BAM 2.68199
12 5IKI A9H 2.68293
13 1NXJ GLV 2.73224
14 4KCT PYR 3.40681
15 2WME NAP 3.46939
16 4CP8 MLI 3.49076
17 4G9N NGA 3.4965
18 4GYS MLI 3.54267
19 3MMH SME 3.59281
20 3PDB OAA 3.74065
21 5WS9 OXL 3.78947
22 5OCQ CIT 3.85965
23 5L2R MLA 4.13907
24 4NYT PC 4.14747
25 5C1P ADP 4.24837
26 2F7A BEZ 4.31034
27 1IZC PYR 4.42478
28 1OPB RET 4.47761
29 4JX1 CAM 4.57831
30 5ETJ IM5 4.62963
31 2G50 PYR 4.71698
32 3LN9 FLC 5.03597
33 4XCP PLM 5.29412
34 1I0B PEL 5.42169
35 2A8Y MTA 5.55556
36 1UYY BGC BGC 6.10687
37 1MAI I3P 6.10687
38 5AOA PPI 6.29371
39 1K4M CIT 6.57277
40 3IWJ NAD 6.95825
41 3W9K MYR 7.19424
42 3FDZ DG2 7.393
43 5F1V 3VN 7.40741
44 1UPF URF 7.58929
45 4YLZ LAT NAG GAL 7.84314
46 4TYO 39X 8.13008
47 4GNC ASO 8.3612
48 1MFI FHC 8.77193
49 2HXW FLC 8.86076
50 3T0W DIW 8.94309
51 1Y7P RIP 8.96861
52 1QAW TRP 9.45946
53 2ZX2 RAM 9.74359
54 3ZZL TRP 10
55 3ZZS TRP 10.7692
56 3ZZQ TRP 10.7692
57 1JE1 GMP 11.0169
58 2JC9 ADN 11.1712
59 3IWD M2T 16.1765
60 2V2G BEZ 18.8841
61 5LY3 ADP 31.25
Pocket No.: 4; Query (leader) PDB : 3O0Q; Ligand: TTP; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 3o0q.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 5H4S RAM 1.40845
2 3G5N PB2 1.68067
3 3TFC PEP 1.81818
4 6F5W KG1 2.16802
5 1QH5 GBP 2.30769
6 1OFZ FUL 2.5641
7 1OFZ FUC 2.5641
8 5C9P FUC 3.14961
9 4TVD BGC 3.41615
10 1QO0 BMD 4.15584
11 5BU2 ADP 4.18502
12 2WET TRP 4.30528
13 1L5J TRA 4.34783
14 1YBH P22 4.34783
15 5UN9 NHT 5.15873
16 5TZO 7V7 5.85106
17 4CNK MEU 6.39386
18 5LOL GSH 7.44186
19 3WCS MAN NAG GAL 7.48031
20 1C3M MAN MAN 8.16327
21 4CT7 TRP 9.25926
22 5GZZ GSH 10.5505
23 1KJ1 MAN 11.0092
24 2IYF UDP 11.3253
25 6FTB M0E 11.9048
26 5EZ1 ICB 13.3574
Pocket No.: 5; Query (leader) PDB : 3O0Q; Ligand: GDP; Similar sites found with APoc: 58
This union binding pocket(no: 5) in the query (biounit: 3o0q.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FLC 1.10497
2 3RGZ BLD 1.86335
3 1V6A TRE 2.10843
4 2PLK P3D 2.14797
5 3HQP OXL 2.20441
6 2G30 ALA ALA PHE 2.32558
7 3I7S PYR 2.39726
8 4UCF GLA 2.48447
9 4X1B MLI 2.63975
10 5IKI A9H 2.68293
11 1NXJ GLV 2.73224
12 4KCT PYR 3.40681
13 2WME NAP 3.46939
14 4CP8 MLI 3.49076
15 4G9N NGA 3.4965
16 4GYS MLI 3.54267
17 3MMH SME 3.59281
18 3PDB OAA 3.74065
19 5WS9 OXL 3.78947
20 5OCQ CIT 3.85965
21 5L2R MLA 4.13907
22 4NYT PC 4.14747
23 5C1P ADP 4.24837
24 2F7A BEZ 4.31034
25 1IZC PYR 4.42478
26 1OPB RET 4.47761
27 6DAM PQQ 4.53809
28 4JX1 CAM 4.57831
29 5ETJ IM5 4.62963
30 2G50 PYR 4.71698
31 3LN9 FLC 5.03597
32 1I0B PEL 5.42169
33 2A8Y MTA 5.55556
34 1UYY BGC BGC 6.10687
35 1MAI I3P 6.10687
36 5AOA PPI 6.29371
37 1K4M CIT 6.57277
38 3IWJ NAD 6.95825
39 3W9K MYR 7.19424
40 3FDZ DG2 7.393
41 5F1V 3VN 7.40741
42 1UPF URF 7.58929
43 4YLZ LAT NAG GAL 7.84314
44 4TYO 39X 8.13008
45 4GNC ASO 8.3612
46 1MFI FHC 8.77193
47 3T0W DIW 8.94309
48 1Y7P RIP 8.96861
49 1QAW TRP 9.45946
50 2ZX2 RAM 9.74359
51 3ZZL TRP 10
52 3ZZS TRP 10.7692
53 3ZZQ TRP 10.7692
54 1JE1 GMP 11.0169
55 2JC9 ADN 11.1712
56 3IWD M2T 16.1765
57 2V2G BEZ 18.8841
58 5LY3 ADP 31.25
Pocket No.: 6; Query (leader) PDB : 3O0Q; Ligand: GDP; Similar sites found with APoc: 29
This union binding pocket(no: 6) in the query (biounit: 3o0q.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4CVC PQQ 1.22378
2 1ELU PDA 1.79487
3 3UG4 AHR 1.98413
4 3N2O AG2 2.17391
5 1W73 NAP 2.31788
6 1VMK GUN 2.52708
7 2XWL CTP 2.69058
8 3WXL ADP 3.10559
9 5W75 SUC 3.31633
10 4DFU QUE 3.41615
11 5KO1 6UY 3.53357
12 1RYD GLC 4.13437
13 5BU2 ADP 4.18502
14 4JX1 CAH 4.57831
15 1VBJ CIT 4.98221
16 1XTT U5P 5.55556
17 2IRY DGT 5.61056
18 2VQ5 HBA 7.46269
19 2YVE MBT 7.56757
20 1C3M MAN MAN 8.16327
21 4JGP PYR 8.29493
22 4QAR ADE 8.45771
23 4CT7 TRP 9.25926
24 3UCJ AZM 9.69163
25 2NW9 FT6 9.80392
26 5CIC 51R 10.1852
27 5GZZ GSH 10.5505
28 2XYA 7L4 10.989
29 4WUJ FMN 14.2857
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