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Receptor
PDB id Resolution Class Description Source Keywords
3PFF 2.3 Å EC: 2.3.3.8 TRUNCATED HUMAN ATP-CITRATE LYASE WITH ADP AND TARTRATE BOUN HOMO SAPIENS PHOSPHOHISTIDINE ORGANIC ACID ATP-GRASP LYASE TRANSFERAS
Ref.: ADP-MG2+ BOUND TO THE ATP-GRASP DOMAIN OF ATP-CITRA ACTA CRYSTALLOGR.,SECT.F V. 67 1168 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:833;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:830;
A:831;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
TLA A:832;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TE1 2.25 Å EC: 2.3.3.8 C20S, C293G MUTANT N-TERMINAL HUMAN ATP CITRATE LYASE BOUND HYDROXYCITRATE HOMO SAPIENS ATP GRASP DOMAIN 4R HYDROXYCITRATE TRANSFERASE
Ref.: BINDING OF HYDROXYCITRATE TO HUMAN ATP-CITRATE LYAS ACTA CRYSTALLOGR D STRUCT V. 73 660 2017 BIOL
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TE1 - 7A2 C6 H8 O8 C(C(=O)O)[....
2 3PFF - TLA C4 H6 O6 [C@@H]([C@....
3 5TEQ - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TE1 - 7A2 C6 H8 O8 C(C(=O)O)[....
2 3PFF - TLA C4 H6 O6 [C@@H]([C@....
3 5TEQ - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TE1 - 7A2 C6 H8 O8 C(C(=O)O)[....
2 3PFF - TLA C4 H6 O6 [C@@H]([C@....
3 5TEQ - FLC C6 H5 O7 C(C(=O)[O-....
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: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5TE1; Ligand: 7A2; Similar sites found with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 5te1.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 6H3O FAD 0.921659
3 4Y9J FAD 1.0118
4 1RSG FAD 1.16279
5 3QVP FAD 1.37221
6 2IHU TP9 1.7452
7 5EB4 FAD 1.8797
8 4UP3 FAD 1.91083
9 3MVH WFE 2.04678
10 4GR5 APC 2.10526
11 5J5Z FAD 2.41935
12 5K0A FAD 2.42424
13 5YAK FMN 2.65152
14 2AE2 NAP 2.69231
15 2AE2 PTO 2.69231
16 6GAS FAD 2.71903
17 1C0I BE2 2.75482
18 1C0I FAD 2.75482
19 4MOP 2H5 2.89855
20 4JGT PYR 3.01003
21 5HS2 CTP 3.01724
22 4ZEV M6P 3.04054
23 1GR0 NAD 3.26975
24 3Q9T FAY 3.29289
25 5AR0 GB8 3.29949
26 2PZM UDP 3.33333
27 2PZM NAD 3.33333
28 1ZGS XMM 3.3557
29 6G3R ADP 3.42105
30 4HA6 FAD 3.54331
31 3QWB NDP 3.59281
32 4IPE ANP 3.61613
33 5U8U FAD 3.7422
34 2PI8 NAG NAG NAG NAG NAG NAG 3.76812
35 3LAD FAD 3.78151
36 5WS9 AMP 3.78947
37 3ZYR NAG NAG BMA MAN MAN NAG NAG 3.83142
38 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 3.83142
39 2Y4O DLL 3.83747
40 5LQ8 GB 3.90071
41 5OC1 FAD 3.98551
42 5ZRR 9J3 4.15094
43 1JPA ANP 4.16667
44 1BW9 PPY 4.21348
45 3GDN FAD 4.22265
46 3GDN HBX 4.22265
47 1C1X HFA 4.22535
48 1B8O IMH 4.22535
49 3SSO SAH 4.29594
50 1RM6 FAD 4.34783
51 2XWL CTP 4.4843
52 4ZRN NAD 4.48718
53 1SOX MTE 4.50644
54 5YSI NCA 4.60526
55 1GZF NIR 4.73934
56 3FJG 3PG 4.78088
57 3N7H DE3 4.8
58 3RYC GTP 4.8951
59 4POW OP1 4.90566
60 4WKB TDI 4.91803
61 2Q2V NAD 5.09804
62 2C6Q IMP 5.12821
63 2C6Q NDP 5.12821
64 2AUY NAG MAN MMA 5.15873
65 2PHW MAN MAN 5.15873
66 1Q8P MAN MMA 5.15873
67 2PHF MAN MAN 5.15873
68 2PHR MAN MAN BMA MAN 5.15873
69 1X1T NAD 5.38462
70 1H65 GDP 5.92593
71 1I52 CTP 6.35593
72 3JYN NDP 6.46154
73 6F97 FAD 6.59134
74 2J9C ATP 6.72269
75 5EOB 5QQ 6.89655
76 4YNU LGC 7.00525
77 1L5Y BEF 7.74194
78 3AKI AH8 7.90598
79 4IXH IMP 8.03324
80 2BO4 FLC 8.06045
81 4B7X NAP 8.63095
82 3NYC IAR 8.66142
83 3NYC FAD 8.66142
84 1XXA ARG 8.97436
85 3EWP APR 9.60452
86 4F8L AES 9.65517
87 3CW9 AMP 9.92064
88 5DXV NAP 10.2564
89 4Z0G 5GP 10.4116
90 1N07 FMN 10.4294
91 1N07 ADP 10.4294
92 3AD8 NAD 11.1111
93 3T3C 017 11.1111
94 2F5Z FAD 12.5
95 1V3S ATP 13.7931
96 5ODQ FAD 15
97 5TQZ GLC 16
98 4OOP DUP 17.4699
99 5O3Q CMP 17.5
Pocket No.: 2; Query (leader) PDB : 5TE1; Ligand: 7A2; Similar sites found with APoc: 121
This union binding pocket(no: 2) in the query (biounit: 5te1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2YIV YIV 1.06707
2 2WET FAD 1.36986
3 5XLS URA 1.37931
4 4D7E FAD 1.6317
5 5WKC FAD 1.77253
6 5HSA FAS 1.80995
7 5EZ7 FAD 2.04082
8 3WLE NAD 2.05279
9 1K4M NAD 2.34742
10 4GA6 AMP 2.53411
11 3X01 AMP 2.54453
12 2R4J FAD 2.59481
13 2R4J 13P 2.59481
14 1S7G APR 2.7668
15 1KGZ PRP 2.89855
16 4RSL FAD 2.92135
17 1MOQ GLP 2.98913
18 3W9F I3P 3.07692
19 3CGB FAD 3.125
20 1ON3 MCA 3.25048
21 3WQQ NDP 3.27869
22 3WQQ IB3 3.27869
23 6HOY TSN 3.31126
24 6HOY AR6 3.31126
25 2IHT TPP 3.31588
26 1JQ3 AAT 3.37838
27 2GJ8 ALF GDP 3.48837
28 3OVR 5SP 3.50877
29 5EYP GDP 3.5503
30 1V1A ADP 3.55987
31 3FPF TNA 3.74396
32 3FPF MTA 3.74396
33 4KP7 1UQ 3.74707
34 4KP7 NAP 3.74707
35 3L6R MLI 3.75723
36 4L8F MTX 3.84615
37 3B6R CRN 3.93701
38 1U6R IOM 3.94737
39 1E5D FMN 3.9801
40 3C1M ANP 4.01691
41 4C3Y ANB 4.15094
42 1SAZ ACP 4.19948
43 2B9W FAD 4.24528
44 5UAO FAD 4.25139
45 1KSK URA 4.2735
46 4ZRN UPG 4.48718
47 5EYY MDM 4.4898
48 3OIX FMN 4.63768
49 5I39 FAD 4.65686
50 5XFV FMN 4.79042
51 2BLE 5GP 4.90463
52 1KRR ACO 4.92611
53 4Q5M ROC 4.92611
54 4L2I FAD 4.94297
55 5JBX MLI 4.98084
56 1KNR FAD 5
57 2ZL4 ALA ALA ALA ALA 5.10204
58 2AR6 NAG MAN MAN MAN NAG 5.15873
59 1Q8Q MAN MMA 5.15873
60 2PHU MAN MAN MAN BMA MAN 5.15873
61 2PHT MAN MAN MAN BMA MAN 5.15873
62 2AR6 NAG MAN 5.15873
63 2PHW MAN MAN MAN BMA MAN MAN MAN 5.15873
64 5ZZ6 NAD 5.28846
65 6EJI UD2 5.36193
66 5N0J FAD 5.41311
67 6GAR FAD 5.44413
68 2JG1 ANP 5.45455
69 2Q0L FAD 5.46624
70 5FJN FAD 5.48246
71 5FJN BE2 5.48246
72 4EHQ GBL 6.08108
73 5YW5 ADE 6.14525
74 4YRY FAD 6.19658
75 4YRY NAD 6.19658
76 3ITJ FAD 6.21302
77 2O07 SPD 6.25
78 2O07 MTA 6.25
79 2Q1W NAD 6.30631
80 1TDF FAD 6.32911
81 1TDF NAP 6.32911
82 5HY1 WDL 6.42674
83 6EMU SAM 6.59898
84 4MIG G3F 6.79012
85 5J60 FAD 6.875
86 4CT7 TRP 7.03704
87 1B4B ARG 7.04225
88 1TE2 PGA 7.07965
89 5LXT GDP 7.55208
90 5LXT 7AK 7.55208
91 1TV5 FMN 7.67494
92 2PT9 2MH 7.78816
93 2PT9 S4M 7.78816
94 4NFE BEN 7.85024
95 3WGT FAD 8.06916
96 1X87 NAD 8.71143
97 2I7C AAT 8.83392
98 1BAI 0Q4 8.87097
99 2VVL FAD 9.49495
100 4YSX FAD 9.61539
101 16PK BIS 9.87952
102 3NWQ 2NC 10.101
103 2ZFZ ARG 10.1266
104 3ZNN 4WL 10.3746
105 3ZNN FAD 10.3746
106 1UWK NAD 10.5925
107 1UWK URO 10.5925
108 3MJY IJZ 10.6936
109 3MJY FMN 10.6936
110 3MWS 017 11.1111
111 1O5I NAD 11.245
112 1FFU FAD 11.6564
113 2AZC 3TL 12.1212
114 3DEF GDP 12.5954
115 1IY8 NAD 13.1086
116 3LU1 NAD 13.4615
117 3VPH NAD 14.8387
118 3VPH OXM 14.8387
119 5T2Z 017 15.1515
120 2D5Z L35 18.4397
121 1SIV PSI 19.1919
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