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Receptor
PDB id Resolution Class Description Source Keywords
2JI6 2.06 Å EC: 4.1.1.8 X-RAY STRUCTURE OF OXALYL-COA DECARBOXYLASE IN COMPLEX WITH THDP AND OXALYL-COA OXALOBACTER FORMIGENES LYASE FLAVOPROTEIN DECARBOXYLASE THIAMIN DIPHOSPHATE-DEPESUBSTRATE COMPLEX OXALATE DEGRADATION THIAMINE PYROPHOSPHOXIDATIVE DECARBOXYLASE
Ref.: CRYSTALLOGRAPHIC SNAPSHOTS OF OXALYL-COA DECARBOXYL INSIGHTS INTO CATALYSIS BY NONOXIDATIVE THDP-DEPEND DECARBOXYLASES STRUCTURE V. 15 853 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1568;
B:1568;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
B3P A:1571;
B:1571;
Invalid;
Invalid;
none;
none;
submit data
282.334 C11 H26 N2 O6 C(CNC...
MG A:1567;
B:1567;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
OXK A:1569;
B:1569;
Valid;
Valid;
none;
none;
submit data
839.554 C23 H36 N7 O19 P3 S CC(C)...
PGE A:1570;
B:1570;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
TPW A:1566;
B:1566;
Valid;
Valid;
none;
none;
submit data
423.318 C13 H19 N3 O7 P2 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C31 1.73 Å EC: 4.1.1.8 CRYSTAL STRUCTURE OF OXALYL-COA DECARBOXYLASE IN COMPLEX WITH THE COFACTOR DERIVATIVE THIAMIN-2-THIAZOLONE D IPHOSPHATE AND ADENOSINE DIPHOSPHATE OXALOBACTER FORMIGENES OXALYL-COA DECARBOXYLASE OXALATE THIAMIN DIPHOSPHATE FLAVOPROTEIN LYASE THIAMINE PYROPHOSPHATE
Ref.: STRUCTURAL BASIS FOR ACTIVATION OF THE THIAMIN DIPHOSPHATE-DEPENDENT ENZYME OXALYL-COA DECARBOXYLASE BY ADENOSINE DIPHOSPHATE. J.BIOL.CHEM. V. 280 41645 2005
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2JI7 - OXT C34 H55 N11 O24 P5 S2 Cc1c(sc([n....
2 2JI9 - TPW C13 H19 N3 O7 P2 S Cc1c(csc1C....
3 2JI6 - OXK C23 H36 N7 O19 P3 S CC(C)(CO[P....
4 2JIB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 2C31 - TZD C12 H18 N4 O8 P2 S Cc1ncc(c(n....
6 2JI8 - FYN C22 H36 N7 O17 P3 S CC(C)(CO[P....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Q29 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
2 2Q28 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 2Q27 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 2JI7 - OXT C34 H55 N11 O24 P5 S2 Cc1c(sc([n....
5 2JI9 - TPW C13 H19 N3 O7 P2 S Cc1c(csc1C....
6 2JI6 - OXK C23 H36 N7 O19 P3 S CC(C)(CO[P....
7 2JIB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 2C31 - TZD C12 H18 N4 O8 P2 S Cc1ncc(c(n....
9 2JI8 - FYN C22 H36 N7 O17 P3 S CC(C)(CO[P....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2Q29 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
2 2Q28 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
3 2Q27 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 2JI7 - OXT C34 H55 N11 O24 P5 S2 Cc1c(sc([n....
5 2JI9 - TPW C13 H19 N3 O7 P2 S Cc1c(csc1C....
6 2JI6 - OXK C23 H36 N7 O19 P3 S CC(C)(CO[P....
7 2JIB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 2C31 - TZD C12 H18 N4 O8 P2 S Cc1ncc(c(n....
9 2JI8 - FYN C22 H36 N7 O17 P3 S CC(C)(CO[P....
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: OXK; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 OXK 1 1
2 3KK 0.909091 0.977273
3 ACO 0.892562 0.966292
4 2MC 0.887097 0.934783
5 1HE 0.88 0.955556
6 CAO 0.876033 0.944444
7 COS 0.876033 0.955056
8 MLC 0.865079 1
9 CO6 0.864 0.977273
10 1VU 0.864 0.966292
11 MCA 0.858268 0.988636
12 SCA 0.851562 1
13 3HC 0.850394 0.988506
14 IVC 0.850394 0.988506
15 BCO 0.850394 0.977273
16 CMC 0.849206 0.977273
17 FYN 0.848 0.977012
18 HGG 0.844961 1
19 CAA 0.84375 0.988506
20 COO 0.84375 0.977273
21 COK 0.84127 0.955056
22 SOP 0.84127 0.955056
23 MC4 0.837209 0.924731
24 0T1 0.836066 0.954545
25 COA 0.836066 0.977012
26 DCA 0.834711 0.932584
27 GRA 0.832061 1
28 BYC 0.830769 0.977273
29 1GZ 0.830769 0.966292
30 IRC 0.830769 0.988506
31 COW 0.830769 0.966292
32 30N 0.830645 0.894737
33 TGC 0.825758 0.988636
34 BCA 0.824427 0.966292
35 FAQ 0.824427 0.977273
36 CMX 0.824 0.977012
37 SCO 0.824 0.977012
38 2CP 0.823077 0.966292
39 A1S 0.821705 0.955056
40 ETB 0.819672 0.9
41 1CZ 0.819549 0.988636
42 HXC 0.818182 0.955556
43 FCX 0.81746 0.944444
44 3CP 0.816794 0.977273
45 2KQ 0.816794 0.977528
46 AMX 0.816 0.965517
47 CO8 0.80597 0.955556
48 2NE 0.80597 0.955556
49 FAM 0.80315 0.933333
50 COF 0.80303 0.934066
51 ST9 0.8 0.955556
52 SCD 0.8 0.977012
53 MYA 0.8 0.955556
54 MFK 0.8 0.955556
55 UCC 0.8 0.955556
56 5F9 0.8 0.955556
57 DCC 0.8 0.955556
58 MCD 0.79845 0.955056
59 4CA 0.796992 0.944444
60 HAX 0.796875 0.933333
61 CIC 0.792593 0.977273
62 WCA 0.788321 0.955556
63 CS8 0.788321 0.945055
64 CA6 0.784615 0.867347
65 4KX 0.782609 0.945055
66 HDC 0.782609 0.955556
67 NMX 0.778626 0.884211
68 MRR 0.776978 0.955556
69 MRS 0.776978 0.955556
70 1CV 0.775362 1
71 4CO 0.773723 0.944444
72 0FQ 0.773723 0.955056
73 CAJ 0.772727 0.955056
74 YNC 0.771429 0.966292
75 DAK 0.771429 0.945055
76 01A 0.768116 0.913979
77 0ET 0.768116 0.934066
78 8Z2 0.765957 0.945055
79 YE1 0.761194 0.94382
80 NHW 0.757143 0.934066
81 NHM 0.757143 0.934066
82 UOQ 0.757143 0.934066
83 HFQ 0.751773 0.934066
84 CA8 0.75 0.886598
85 F8G 0.746575 0.935484
86 1HA 0.744828 0.955556
87 NHQ 0.743056 0.965909
88 S0N 0.741007 0.955056
89 CCQ 0.728571 0.934783
90 7L1 0.727273 0.966292
91 01K 0.716216 0.955056
92 COT 0.711409 0.955056
93 CA3 0.701987 0.955056
94 CO7 0.697842 0.977273
95 UCA 0.696774 0.955556
96 93P 0.685897 0.966292
97 CA5 0.679487 0.913979
98 COD 0.676923 0.965517
99 93M 0.664596 0.966292
100 4BN 0.654762 0.914894
101 5TW 0.654762 0.914894
102 OXT 0.633136 0.914894
103 HMG 0.624161 0.965909
104 JBT 0.607955 0.915789
105 COA PLM 0.605263 0.923077
106 PLM COA 0.605263 0.923077
107 BSJ 0.583815 0.945055
108 PAP 0.563025 0.793103
109 ASP ASP ASP ILE CMC NH2 0.547619 0.933333
110 191 0.542484 0.867347
111 SFC 0.530864 0.955556
112 RFC 0.530864 0.955556
113 PPS 0.524194 0.736842
114 A3P 0.512605 0.781609
115 0WD 0.503448 0.771739
116 ACE SER ASP ALY THR NH2 COA 0.502732 0.933333
117 PTJ 0.452555 0.873563
118 3AM 0.45 0.770115
119 PAJ 0.444444 0.885057
120 A22 0.440298 0.795455
121 PUA 0.43871 0.802198
122 A2D 0.435484 0.784091
123 A2R 0.432836 0.816092
124 3OD 0.431655 0.827586
125 ATR 0.430769 0.781609
126 AGS 0.430769 0.808989
127 SAP 0.430769 0.808989
128 ADP 0.425197 0.804598
129 APR 0.423077 0.804598
130 AR6 0.423077 0.804598
131 48N 0.421769 0.811111
132 APU 0.42 0.769231
133 M33 0.418605 0.795455
134 BA3 0.417323 0.784091
135 NA7 0.417266 0.83908
136 OAD 0.417266 0.827586
137 ATP 0.415385 0.804598
138 HEJ 0.415385 0.804598
139 AP5 0.414062 0.784091
140 B4P 0.414062 0.784091
141 ADQ 0.413043 0.806818
142 5FA 0.412214 0.804598
143 2A5 0.412214 0.827586
144 AQP 0.412214 0.804598
145 TXA 0.411348 0.818182
146 AN2 0.410853 0.795455
147 NJP 0.409091 0.788889
148 F2R 0.409091 0.866667
149 25L 0.408451 0.795455
150 9X8 0.407143 0.829545
151 NDP 0.405229 0.771739
152 SRP 0.404412 0.83908
153 YLB 0.403974 0.909091
154 ANP 0.402985 0.786517
155 YLP 0.402685 0.88764
156 ME8 0.401408 0.844444
157 FYA 0.401408 0.795455
158 AT4 0.4 0.818182
159 5AL 0.4 0.816092
Ligand no: 3; Ligand: TPW; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 TPW 1 1
2 S1T 0.574713 0.984375
3 R1T 0.574713 0.984375
4 1U0 0.555556 0.926471
5 TPP 0.546512 0.9
6 HTL 0.516484 0.863014
7 TDW 0.516484 0.875
8 WWF 0.510638 0.84
9 AUJ 0.494737 0.828947
10 V4E 0.48913 0.9
11 THV 0.484211 0.863014
12 TPU 0.482759 0.821918
13 TD6 0.48 0.828947
14 TOG 0.474747 0.828947
15 THY 0.474227 0.851351
16 TD8 0.470588 0.828947
17 TD9 0.470588 0.828947
18 THW 0.47 0.863014
19 TDL 0.469388 0.807692
20 TZD 0.466667 0.815789
21 TDK 0.464646 0.828947
22 PYI 0.461538 0.84058
23 TDM 0.457447 0.826667
24 8FL 0.456522 0.826667
25 8EL 0.456522 0.826667
26 G8G 0.455556 0.808219
27 TDP 0.451613 0.885714
28 D7K 0.435185 0.818182
29 T6F 0.435185 0.807692
30 5SR 0.43299 0.849315
31 8PA 0.432432 0.851351
32 TDN 0.428571 0.805195
33 MP5 0.424658 0.723077
34 8N9 0.424242 0.775
35 THD 0.424242 0.775
36 T5X 0.422018 0.807692
37 2TP 0.421053 0.837838
38 TD7 0.417476 0.78481
39 TPS 0.41573 0.857143
40 8EO 0.410526 0.826667
41 TMV 0.40625 0.861111
42 8EF 0.40625 0.766234
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C31; Ligand: TZD; Similar sites found with APoc: 278
This union binding pocket(no: 1) in the query (biounit: 2c31.bio1) has 72 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 3C6K MTA 1.04987
3 3C6K SPD 1.04987
4 3PT9 SAH 1.40845
5 1X87 NAD 1.45191
6 3AI7 TPP 1.58451
7 2D3N GLC GLC GLC 1.76056
8 1TKB N1T 1.76056
9 1FP1 SAH 1.88172
10 2FK8 SAM 1.88679
11 1R9J TPP 1.93662
12 6BR8 PGV 1.98413
13 1UAY ADN 2.06612
14 4YMH SAH 2.08333
15 2R5N TPP 2.11268
16 2R5N RP5 2.11268
17 2R5N R5P 2.11268
18 1F3L SAH 2.18069
19 2GJP MAL 2.26804
20 5DWQ SFG 2.29226
21 5DX8 SFG 2.29226
22 5DXA SFG 2.29226
23 5DX1 SFG 2.29226
24 2P3V SRT 2.34375
25 5DNK SAH 2.34657
26 1R6N 434 2.36967
27 1LVL NAD 2.40175
28 1IM8 SAI 2.45902
29 1ITZ TPP 2.46479
30 1Y8Q ATP 2.46479
31 4ONQ SFG 2.52101
32 4A6D SAM 2.54958
33 3VC1 SAH 2.5641
34 6C5B SAH 2.6393
35 4DCM SAM 2.66667
36 2YX1 SFG 2.67857
37 5XNC MTA 2.69542
38 1M2Z BOG 2.72374
39 3VSE SAH 2.76382
40 5OJ7 AR6 2.7972
41 4DMG SAM 2.79898
42 2PT9 S4M 2.80374
43 1WG8 SAM 2.80702
44 6ECU SAH 2.8481
45 6ECW SAH 2.85714
46 3SSO SAH 2.86396
47 6EQS BV8 2.90909
48 2QQF A1R 2.92208
49 2OD9 A1R NCA 2.92208
50 3VYW SAM 2.92208
51 3RIY NAD 2.9304
52 3GXO SAH 2.98103
53 3GWZ SAH 2.98103
54 3TKY SAH 2.98913
55 1RP7 TZD 2.99296
56 1R27 MGD 2.99296
57 1G8K MGD 3.00752
58 1SZD APR 3.0303
59 5YF1 SFG 3.03867
60 5YF1 8V0 3.03867
61 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.06122
62 5N5D SAM 3.09735
63 2PWY SAH 3.10078
64 6GKV SAH 3.1339
65 3DUW SAH 3.13901
66 3IX9 NDP 3.15789
67 4C4A SAH 3.16901
68 3TKA SAM 3.17003
69 4AZW SAM 3.18471
70 2EG5 SAH 3.22581
71 6D6Y SAH 3.25048
72 1KYZ SAH 3.28767
73 2C42 TPP 3.34507
74 2C42 PYR 3.34507
75 3L9W AMP 3.38983
76 3L9W GSH 3.38983
77 4I5I NAD 3.48432
78 1SQF SAM 3.4965
79 5KOK SAH 3.52645
80 4KXQ APR 3.55872
81 1M2K APR 3.61446
82 5MPT SAH 3.62319
83 5A3B APR 3.63036
84 6HOY AR6 3.64238
85 6HOY TSN 3.64238
86 3G2O SAM 3.67893
87 3JWH SAH 3.68664
88 5X62 SAH 3.69458
89 5ZW3 SAH 3.69718
90 3G89 SAM 3.69718
91 2ZIF SAM 3.7037
92 2EJU SAH 3.7037
93 3ZG6 APR 3.71622
94 5E1M SAH 3.73444
95 5E72 SAM 3.75723
96 2AOT SAH 3.76712
97 3NOJ PYR 3.78151
98 3U31 NAD 3.7931
99 1UMD TDP COI 3.81471
100 1G60 SAM 3.84615
101 3ITJ CIT 3.84615
102 1QS0 TDP 3.84615
103 1PNO NAP 3.88889
104 1EJ0 SAM 3.88889
105 1I9G SAM 3.92857
106 1S7G NAD 3.95257
107 1S7G APR 3.95257
108 2VWA PTY 3.9604
109 2WOR 2AN 4
110 2OOR TXP 4.02299
111 4L2I FAD 4.04624
112 5ND5 TPP 4.0493
113 1JQ3 AAT 4.05405
114 2AG8 NAP 4.18251
115 2PXX SAH 4.18605
116 2DPM SAM 4.22535
117 1LSS NAD 4.28571
118 3HWW AKG 4.31655
119 2GJ5 VD3 4.32099
120 5AZC PGT 4.33333
121 2YIP YIO 4.34783
122 1WY7 SAH 4.34783
123 1R18 SAH 4.40529
124 2EFJ SAH 4.42708
125 6CB2 OLC 4.43686
126 3KC1 2T6 4.45104
127 5W7K SAH 4.48718
128 3RFV NAI 4.49438
129 3RFV 15L 4.49438
130 4KRG SAH 4.50644
131 1QAN SAH 4.5082
132 5B47 TPP 4.60526
133 5B47 PYR 4.60526
134 1NW5 SAM 4.70219
135 1DL5 SAH 4.73186
136 3H8V ATP 4.79452
137 1PJS NAD 4.814
138 3GU3 SAH 4.92958
139 3DMH SAM 4.98688
140 5WP4 SAH 5.09165
141 1KK8 BEF ADP 5.19481
142 1L1E SAH 5.22648
143 6ECT SAM 5.29595
144 5TCI MLI 5.36585
145 3GDH SAH 5.39419
146 6DUB SAH 5.40541
147 2F5X ASP 5.44872
148 4KIB SAH 5.60224
149 2X7J TPP 5.6338
150 3EWP APR 5.64972
151 2VDV SAM 5.69106
152 5MB4 NAG 5.73566
153 1RL4 BL5 5.85106
154 5WP5 SAH 5.90631
155 5THY SAH 5.92593
156 1ZQ9 SAM 5.96491
157 5LX9 OLB 5.98592
158 4EIL NDP 6.00707
159 3OFK SAH 6.01852
160 1P1C SAH 6.03015
161 3CBG SAH 6.03448
162 5GM1 SAH 6.06061
163 3GRU AMP 6.1017
164 5FA8 SAM 6.21118
165 4OBW SAM 6.22568
166 2HHP FLC 6.22642
167 4Y9D NAI 6.22951
168 2HMT NAI 6.25
169 5HJM MTA 6.25
170 3EGI ADP 6.31068
171 3LCC SAH 6.38298
172 5KVA SAM 6.47482
173 5B48 TDN 6.55738
174 2O07 MTA 6.57895
175 2O07 SPD 6.57895
176 6BQ6 TER 6.64653
177 4QTU SAM 6.66667
178 5ESO TDP 6.69014
179 5ESO ISC 6.69014
180 2HNK SAH 6.69456
181 4YAC NAI 6.73401
182 1L3I SAH 6.77083
183 5MGZ SAH 6.77966
184 1JG3 ADN 6.80851
185 2O1S TDP 6.8662
186 2YIC TPP 6.8662
187 5JGL SAM 6.92042
188 3A4T SFG 6.93431
189 3LN9 FLC 7.19424
190 4IWN GEK 7.42358
191 5F8F SFG 7.42706
192 4POO SAM 7.5
193 2XYQ SAH 7.58621
194 3FUU ADN 7.74908
195 3T7S SAM 7.83582
196 1ONI BEZ 7.97101
197 4KRI SAH 8.08314
198 1NV8 MEQ 8.09859
199 1NV8 SAM 8.09859
200 5U19 827 8.21114
201 5U19 SAH 8.21114
202 6C0B MLI 8.33333
203 5M58 SAH 8.69565
204 6C8R SAH 8.70712
205 3C3Y SAH 8.86076
206 4I4S LAT 8.90411
207 4PNE SAH 8.9404
208 5LOG SAH 9.01288
209 3A25 SAM 9.30233
210 4BUZ NAD 9.34959
211 4BUZ OCZ 9.34959
212 4BUZ OAD 9.34959
213 1YC5 NCA 9.34959
214 2BZ1 TAU 9.69388
215 4LXH C1E 9.74729
216 3A27 SAM 9.92647
217 4IQY AR6 10.4167
218 2WK1 SAH 10.6383
219 5W7M SAH 10.8974
220 5N1X 8HH 11.0169
221 1D1G NDP 11.3095
222 3H2B SAH 11.33
223 5BSZ SAH 11.6
224 2WA2 SAM 11.9565
225 2OZL TPP 12.61
226 1RJD SAM 12.8743
227 3EXH TPP 13.0699
228 1YXM ADE 13.5314
229 1DJL NAP 14.4928
230 3BXO SAM 15.0628
231 4NEC SAH 15.1515
232 3DVA TPW 15.6923
233 1W85 TDP 15.7407
234 1D4O NAP 15.7609
235 5E9W SAH 18.5897
236 5E8J SAH 18.5897
237 5EXE 5SR 18.7302
238 1XXA ARG 20.5128
239 2VBF TPP 21.1268
240 2XVM SAH 22.1106
241 4M38 SAH 28.5714
242 5FA5 MTA 30
243 6F5Z SAH 31.1475
244 4D5G FAD 32.2183
245 4D5G TPP 32.2183
246 1ZPD DPX 34.1549
247 1QPB TPP 36.4121
248 1QPB PYM 36.4121
249 1V5F FAD 36.9718
250 1V5F TPP 36.9718
251 2VK4 TPP 37.6761
252 2NXW TPP 37.8521
253 1YBH P22 38.3803
254 1YBH FAD 38.3803
255 3EYA TDP 38.7978
256 3EYA FAD 38.7978
257 1UPA TPP 38.918
258 2IHT TPP 38.918
259 2IHU TP9 39.4415
260 4KGD TDP 40.1408
261 4KGD FAD 40.1408
262 5WKC AUJ 40.493
263 5WKC TP9 40.493
264 1T9D P22 40.493
265 1T9D PYD 40.493
266 1T9D P25 40.493
267 1T9D 1MM 40.493
268 1T9D FAD 40.493
269 5WKC FAD 40.493
270 1OZH HE3 41.3732
271 4RJK TPP 41.7254
272 4RJK TDL 41.7254
273 6DEN G8A 43.4859
274 6DEN TP9 43.4859
275 6DEN FAD 43.4859
276 3FSJ D7K 43.5606
277 3IAE D7K 45.0704
278 2UZ1 TPP 45.1155
Pocket No.: 2; Query (leader) PDB : 2C31; Ligand: TZD; 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: 2c31.bio1) has 72 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2C31; Ligand: ADP; Similar sites found with APoc: 282
This union binding pocket(no: 3) in the query (biounit: 2c31.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 3C6K SPD 1.04987
3 3C6K MTA 1.04987
4 3PT9 SAH 1.40845
5 4G86 BNT 1.40845
6 1X87 NAD 1.45191
7 3AI7 TPP 1.58451
8 2D3N GLC GLC GLC 1.76056
9 1TKB N1T 1.76056
10 1FP1 SAH 1.88172
11 2FK8 SAM 1.88679
12 1R9J TPP 1.93662
13 5FTW SAH 1.95312
14 6BR8 PGV 1.98413
15 1UAY ADN 2.06612
16 4YMH SAH 2.08333
17 2R5N TPP 2.11268
18 2R5N R5P 2.11268
19 2R5N RP5 2.11268
20 1F3L SAH 2.18069
21 4ZLA BES 2.19124
22 2GJP MAL 2.26804
23 5DWQ SFG 2.29226
24 5DX8 SFG 2.29226
25 5DXA SFG 2.29226
26 5DX1 SFG 2.29226
27 2P3V SRT 2.34375
28 5DNK SAH 2.34657
29 1R6N 434 2.36967
30 1IM8 SAI 2.45902
31 1ITZ TPP 2.46479
32 1Y8Q ATP 2.46479
33 4ONQ SFG 2.52101
34 4A6D SAM 2.54958
35 3VC1 SAH 2.5641
36 6C5B SAH 2.6393
37 4DCM SAM 2.66667
38 2YX1 SFG 2.67857
39 5XNC MTA 2.69542
40 1M2Z BOG 2.72374
41 3VSE SAH 2.76382
42 5OJ7 AR6 2.7972
43 4DMG SAM 2.79898
44 2PT9 S4M 2.80374
45 1WG8 SAM 2.80702
46 6ECU SAH 2.8481
47 6ECW SAH 2.85714
48 3SSO SAH 2.86396
49 6EQS BV8 2.90909
50 2QQF A1R 2.92208
51 2OD9 A1R NCA 2.92208
52 3VYW SAM 2.92208
53 3RIY NAD 2.9304
54 3GXO SAH 2.98103
55 3GWZ SAH 2.98103
56 3TKY SAH 2.98913
57 1RP7 TZD 2.99296
58 1R27 MGD 2.99296
59 1G8K MGD 3.00752
60 1SZD APR 3.0303
61 5YF1 SFG 3.03867
62 5YF1 8V0 3.03867
63 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.06122
64 5N5D SAM 3.09735
65 2PWY SAH 3.10078
66 6GKV SAH 3.1339
67 3DUW SAH 3.13901
68 3IX9 NDP 3.15789
69 4C4A SAH 3.16901
70 3TKA SAM 3.17003
71 4AZW SAM 3.18471
72 2EG5 SAH 3.22581
73 6D6Y SAH 3.25048
74 1KYZ SAH 3.28767
75 2C42 TPP 3.34507
76 2C42 PYR 3.34507
77 3L9W AMP 3.38983
78 3L9W GSH 3.38983
79 4I5I NAD 3.48432
80 1SQF SAM 3.4965
81 5KOK SAH 3.52645
82 4LWP SAH 3.53261
83 4KXQ APR 3.55872
84 1M2K APR 3.61446
85 5MPT SAH 3.62319
86 5A3B APR 3.63036
87 6HOY AR6 3.64238
88 6HOY TSN 3.64238
89 3G2O SAM 3.67893
90 3JWH SAH 3.68664
91 5X62 SAH 3.69458
92 5ZW3 SAH 3.69718
93 3G89 SAM 3.69718
94 2ZIF SAM 3.7037
95 2EJU SAH 3.7037
96 3ZG6 APR 3.71622
97 5E1M SAH 3.73444
98 5E72 SAM 3.75723
99 2AOT SAH 3.76712
100 3NOJ PYR 3.78151
101 3U31 NAD 3.7931
102 1UMD TDP COI 3.81471
103 1G60 SAM 3.84615
104 3ITJ CIT 3.84615
105 1QS0 TDP 3.84615
106 1PNO NAP 3.88889
107 1EJ0 SAM 3.88889
108 1I9G SAM 3.92857
109 1S7G NAD 3.95257
110 1S7G APR 3.95257
111 2VWA PTY 3.9604
112 2WOR 2AN 4
113 2OOR TXP 4.02299
114 4L2I FAD 4.04624
115 5ND5 TPP 4.0493
116 1JQ3 AAT 4.05405
117 2AG8 NAP 4.18251
118 2PXX SAH 4.18605
119 2DPM SAM 4.22535
120 1LSS NAD 4.28571
121 3HWW AKG 4.31655
122 2GJ5 VD3 4.32099
123 5AZC PGT 4.33333
124 2YIP YIO 4.34783
125 1WY7 SAH 4.34783
126 1R18 SAH 4.40529
127 2EFJ SAH 4.42708
128 6CB2 OLC 4.43686
129 3KC1 2T6 4.45104
130 5W7K SAH 4.48718
131 3RFV NAI 4.49438
132 3RFV 15L 4.49438
133 4KRG SAH 4.50644
134 1QAN SAH 4.5082
135 5B47 TPP 4.60526
136 5B47 PYR 4.60526
137 1NW5 SAM 4.70219
138 1DL5 SAH 4.73186
139 3H8V ATP 4.79452
140 1PJS NAD 4.814
141 3GU3 SAH 4.92958
142 3DMH SAM 4.98688
143 5WP4 SAH 5.09165
144 3O7W SAM 5.10204
145 1KK8 BEF ADP 5.19481
146 1L1E SAH 5.22648
147 6ECT SAM 5.29595
148 5TCI MLI 5.36585
149 3GDH SAH 5.39419
150 6DUB SAH 5.40541
151 2F5X ASP 5.44872
152 4KIB SAH 5.60224
153 2X7J TPP 5.6338
154 3EWP APR 5.64972
155 2VDV SAM 5.69106
156 5MB4 NAG 5.73566
157 1RL4 BL5 5.85106
158 5WP5 SAH 5.90631
159 5THY SAH 5.92593
160 1ZQ9 SAM 5.96491
161 5LX9 OLB 5.98592
162 4EIL NDP 6.00707
163 3OFK SAH 6.01852
164 1P1C SAH 6.03015
165 3CBG SAH 6.03448
166 5GM1 SAH 6.06061
167 3GRU AMP 6.1017
168 5FA8 SAM 6.21118
169 4OBW SAM 6.22568
170 2HHP FLC 6.22642
171 4Y9D NAI 6.22951
172 2HMT NAI 6.25
173 5HJM MTA 6.25
174 3EGI ADP 6.31068
175 3LCC SAH 6.38298
176 5KVA SAM 6.47482
177 5B48 TDN 6.55738
178 2O07 MTA 6.57895
179 2O07 SPD 6.57895
180 6BQ6 TER 6.64653
181 4QTU SAM 6.66667
182 5ESO TDP 6.69014
183 5ESO ISC 6.69014
184 2HNK SAH 6.69456
185 4YAC NAI 6.73401
186 1L3I SAH 6.77083
187 5MGZ SAH 6.77966
188 1JG3 ADN 6.80851
189 2O1S TDP 6.8662
190 2YIC TPP 6.8662
191 5JGL SAM 6.92042
192 3A4T SFG 6.93431
193 3LN9 FLC 7.19424
194 4IWN GEK 7.42358
195 5F8F SFG 7.42706
196 4POO SAM 7.5
197 2XYQ SAH 7.58621
198 3FUU ADN 7.74908
199 3T7S SAM 7.83582
200 1ONI BEZ 7.97101
201 4KRI SAH 8.08314
202 1NV8 MEQ 8.09859
203 5IL1 SAM 8.09859
204 1NV8 SAM 8.09859
205 5U19 827 8.21114
206 5U19 SAH 8.21114
207 4CS9 AMP 8.46561
208 5M58 SAH 8.69565
209 6C8R SAH 8.70712
210 3C3Y SAH 8.86076
211 4I4S LAT 8.90411
212 4PNE SAH 8.9404
213 5LOG SAH 9.01288
214 3A25 SAM 9.30233
215 4BUZ NAD 9.34959
216 4BUZ OCZ 9.34959
217 4BUZ OAD 9.34959
218 1YC5 NCA 9.34959
219 2BZ1 TAU 9.69388
220 4LXH C1E 9.74729
221 3A27 SAM 9.92647
222 4IQY AR6 10.4167
223 2WK1 SAH 10.6383
224 5W7M SAH 10.8974
225 5N1X 8HH 11.0169
226 1D1G NDP 11.3095
227 3H2B SAH 11.33
228 5BSZ SAH 11.6
229 2WA2 SAM 11.9565
230 2OZL TPP 12.61
231 1RJD SAM 12.8743
232 3EXH TPP 13.0699
233 1YXM ADE 13.5314
234 1DJL NAP 14.4928
235 3BXO SAM 15.0628
236 4NEC SAH 15.1515
237 3DVA TPW 15.6923
238 1W85 TDP 15.7407
239 1D4O NAP 15.7609
240 5E9W SAH 18.5897
241 5E8J SAH 18.5897
242 5EXE 5SR 18.7302
243 2VBF TPP 21.1268
244 2XVM SAH 22.1106
245 4M38 SAH 28.5714
246 5FA5 MTA 30
247 6F5Z SAH 31.1475
248 4D5G FAD 32.2183
249 4D5G TPP 32.2183
250 1ZPD DPX 34.1549
251 1QPB TPP 36.4121
252 1QPB PYM 36.4121
253 1V5F TPP 36.9718
254 1V5F FAD 36.9718
255 2VK4 TPP 37.6761
256 2NXW TPP 37.8521
257 1YBH P22 38.3803
258 1YBH FAD 38.3803
259 3EYA TDP 38.7978
260 3EYA FAD 38.7978
261 1UPA TPP 38.918
262 2IHT TPP 38.918
263 2IHU TP9 39.4415
264 4KGD FAD 40.1408
265 4KGD TDP 40.1408
266 5WKC AUJ 40.493
267 5WKC TP9 40.493
268 1T9D P22 40.493
269 1T9D PYD 40.493
270 1T9D P25 40.493
271 1T9D 1MM 40.493
272 1T9D FAD 40.493
273 5WKC FAD 40.493
274 1OZH HE3 41.3732
275 4RJK TPP 41.7254
276 4RJK TDL 41.7254
277 6DEN TP9 43.4859
278 6DEN G8A 43.4859
279 6DEN FAD 43.4859
280 3FSJ D7K 43.5606
281 3IAE D7K 45.0704
282 2UZ1 TPP 45.1155
Pocket No.: 4; Query (leader) PDB : 2C31; Ligand: ADP; 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: 2c31.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2C31; Ligand: ADP; Similar sites found with APoc: 20
This union binding pocket(no: 5) in the query (biounit: 2c31.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
1 2VT3 ATP 2.32558
2 1G55 SAH 2.33236
3 3GCZ SAM 2.48227
4 4ZNO SUC 3.28358
5 1V6A TRE 3.91566
6 5IM3 DTP 4.22535
7 2BCG GER 4.36893
8 5C1M OLC 4.8
9 1I1N SAH 4.86726
10 2Z49 AMG 5.09259
11 1OFZ FUL 5.12821
12 3TLJ SAH 5.63003
13 5L95 AMP 6.25
14 3B6C SDN 7.26496
15 1FP2 SAH 7.67045
16 3TDC 0EU 8.97887
17 2F99 AKV 9.80392
18 5M36 9SZ 10.0437
19 2Y69 CHD 12.8571
20 4OGQ 7PH 44.8276
Pocket No.: 6; Query (leader) PDB : 2C31; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2c31.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2C31; Ligand: TZD; Similar sites found with APoc: 23
This union binding pocket(no: 7) in the query (biounit: 2c31.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
1 5FTW SAH 1.95312
2 2VT3 ATP 2.32558
3 1G55 SAH 2.33236
4 3GCZ SAM 2.48227
5 4ZNO SUC 3.28358
6 1V6A TRE 3.91566
7 5IM3 DTP 4.22535
8 2BCG GER 4.36893
9 5C1M OLC 4.8
10 1I1N SAH 4.86726
11 2Z49 AMG 5.09259
12 3O7W SAM 5.10204
13 1OFZ FUL 5.12821
14 3TLJ SAH 5.63003
15 5L95 AMP 6.25
16 3B6C SDN 7.26496
17 1FP2 SAH 7.67045
18 4CS9 AMP 8.46561
19 3TDC 0EU 8.97887
20 2F99 AKV 9.80392
21 5M36 9SZ 10.0437
22 2Y69 CHD 12.8571
23 4OGQ 7PH 44.8276
Pocket No.: 8; Query (leader) PDB : 2C31; Ligand: TZD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2c31.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
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