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Receptor
PDB id Resolution Class Description Source Keywords
4WBD 1.77 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF BSHC FROM BACILLUS SUBTILIS COMPLEX CITRATE AND ADP BACILLUS SUBTILIS BACILILTHIOL LIGASE CYSTEINE ROSSMANN
Ref.: X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BSHC, A UNIQUE INVOLVED IN BACILLITHIOL BIOSYNTHESIS. BIOCHEMISTRY V. 54 100 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:603;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ADP A:601;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CIT A:602;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WBD 1.77 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF BSHC FROM BACILLUS SUBTILIS COMPLEX CITRATE AND ADP BACILLUS SUBTILIS BACILILTHIOL LIGASE CYSTEINE ROSSMANN
Ref.: X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BSHC, A UNIQUE INVOLVED IN BACILLITHIOL BIOSYNTHESIS. BIOCHEMISTRY V. 54 100 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4WBD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4WBD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4WBD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
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: 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 : 4WBD; Ligand: ADP; Similar sites found with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 4wbd.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1SC6 NAD 1.23762
2 2IHU TP9 1.47874
3 1ZPD DPX 1.47874
4 2D3N GLC GLC GLC GLC GLC GLC 1.64948
5 2GJP BGC GLC DAF GLC GLC GLC DAF 1.64948
6 1Q6O LG6 2.31481
7 6GEH FAD 2.34375
8 5WP5 SAH 3.05499
9 5WKC AUJ 3.32717
10 4GVS F4M 3.48101
11 5YS9 FAD 3.51201
12 5Y9D FAD 3.51201
13 1XAP TTB 3.74532
14 2WT9 NIO 3.82979
15 1UPA TPP 3.8817
16 2IHT TPP 3.8817
17 5TPR NAD 4.27928
18 1M7Y PPG 4.36782
19 1Z6T ADP 4.62107
20 4POJ 2VP 5.19481
21 1T36 U 5.2356
22 2C42 PYR 5.36044
23 2C42 TPP 5.36044
24 5X3R 7Y3 5.36585
25 1ESM COA 5.37975
26 2IYA ZIO 5.89623
27 4LZJ 22H 6.27063
28 2CJF RP4 7.00637
29 3GGU 017 7.07071
30 4R6W SAH 8.13953
31 1OTH PAO 9.34579
32 4YSX E23 10.6383
33 1NFQ NAI 11.1538
34 5Z84 TGL 27.6596
35 3OKI OKI 50
Pocket No.: 2; Query (leader) PDB : 4WBD; 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: 2) in the query (biounit: 4wbd.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WBD; Ligand: CIT; Similar sites found with APoc: 428
This union binding pocket(no: 3) in the query (biounit: 4wbd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2X7J TPP 1.10906
2 4KXV TDP DX5 1.2939
3 3HWW AKG 1.2939
4 1V5F TPP 1.2939
5 1V5F FAD 1.2939
6 6ER9 FAD 1.2939
7 2ABS ACP 1.30548
8 4US3 TRP 1.31868
9 3ZS7 ATP 1.33333
10 6BA2 7KM 1.35593
11 3NRR NAP 1.35922
12 2DFV NAD 1.44092
13 2WPX ACO 1.47493
14 2WPW ACO 1.47493
15 2QXL ATP 1.47874
16 4D04 FAD 1.47874
17 4D04 NAP 1.47874
18 1ZPD DPX 1.47874
19 1QPB TPP 1.47874
20 2Q28 TPP 1.47874
21 1QPB PYM 1.47874
22 1ZOA 140 1.47992
23 3G5S FAD 1.58014
24 3RS8 APR 1.59363
25 1XKD NAP 1.6092
26 2D4V NAD 1.6317
27 5ND5 TPP 1.66359
28 3ZTV ADN 1.66359
29 1V8B NAD 1.67015
30 1SZD APR 1.6835
31 2C6Q IMP 1.7094
32 6BK3 UDP 1.71306
33 5ZQY AR6 1.7192
34 1ON3 MCA 1.72084
35 5WX3 COA 1.76768
36 2V7Y ADP 1.76817
37 2VTD LKM 1.79775
38 2UYT ADP 1.84049
39 2UYT LRH 1.84049
40 1R9J TPP 1.84843
41 3AI7 TPP 1.84843
42 5KOR GDP 1.84843
43 1JZS MRC 1.84843
44 2VCH UDP 1.875
45 3NC9 TR3 1.91693
46 2PID YSA 1.96629
47 1EE0 CAA 1.99005
48 4L80 OXL 2.01149
49 4RJK TPP 2.03327
50 4RJK TDL 2.03327
51 3B8X G4M 2.05128
52 1IZC PYR 2.0649
53 3EI9 PL6 2.08333
54 4L2H AR6 AR6 2.09644
55 1MZV AMP 2.12766
56 4N70 2HX 2.13415
57 4NES UDP 2.13904
58 1UMD TDP COI 2.16049
59 2ZC0 PMP 2.2113
60 4KVL PLM 2.21811
61 5V2J UDP 2.22717
62 5V2J 7WV 2.22717
63 5XDT GDP 2.27273
64 3FSJ D7K 2.27273
65 2HW1 ANP 2.34899
66 3AHQ FAD 2.36559
67 1UDB NAD 2.36686
68 1UDB UFG 2.36686
69 6G3R ADP 2.36842
70 5D63 FUC GAL GLA 2.38908
71 3BEO UDP 2.4
72 2O1S TDP 2.40296
73 4JNE ATP 2.40296
74 4B9Q ATP 2.40296
75 3Q3H UDP 2.40296
76 1YBH P22 2.40296
77 2EBS BGC BGC XYS BGC XYS BGC XYS 2.40296
78 3Q9T FAY 2.40296
79 1Z45 NAD 2.40296
80 5DRB 5FJ 2.4055
81 5FEU NAP 2.4055
82 1YQT ADP 2.41636
83 2JG1 ANP 2.42424
84 5YV5 ADP 2.42537
85 3IA4 NDP 2.46914
86 3H4T UDP 2.47525
87 1KQN NAD 2.50896
88 3RK1 ATP 2.53165
89 3UOY FAD 2.5878
90 3UOY NAP 2.5878
91 1W78 PD8 2.60664
92 1W78 ADP 2.60664
93 1HEX NAD 2.6087
94 1LK7 DER 2.62009
95 4DP3 MMV 2.63158
96 4DP3 NDP 2.63158
97 2JJK R15 2.66272
98 3KC1 2T6 2.67062
99 5GM1 SAH 2.6936
100 4X1T UDP 2.69608
101 2Q8M AMP 2.71084
102 3FV1 DYH 2.73438
103 1RP7 TZD 2.77264
104 2ZJ5 ADP 2.77264
105 2NUN ADP 2.78638
106 4CNK FAD 2.8133
107 1VGV UD1 2.86458
108 1BZL GCG 2.88066
109 1RRV TYD 2.88462
110 4UTG ANP 2.89017
111 2IYF UDP 2.89157
112 1IYE PGU 2.91262
113 1F6D UDP 2.92553
114 5BVA FAD 2.93399
115 3QKT ANP 2.94985
116 2D3M COA 2.95567
117 4EIL NDP 2.95749
118 3AHC TPP 2.95749
119 1YQZ FAD 2.96804
120 3IOI 1GW 3.02013
121 6AMI TRP 3.0303
122 1H74 ADP 3.04054
123 4IEE AGS 3.06122
124 4P53 NAI 3.09524
125 5FPE 3TR 3.10078
126 3CRZ NAP 3.11284
127 4J7U NAP 3.125
128 4J7U YTZ 3.125
129 2V5K OXM 3.13589
130 2UZ1 TPP 3.14233
131 3IAE D7K 3.14233
132 4Z0G 5GP 3.1477
133 4I42 1HA 3.15789
134 4NSQ COA 3.15789
135 2F5X ASP 3.20513
136 3AWJ COA 3.23383
137 2QV7 ADP 3.2641
138 4P5E N6P 3.28947
139 3B5J 12D 3.29218
140 3FUU ADN 3.32103
141 5XU2 8EL 3.32717
142 5XU2 TPP 3.32717
143 5XU2 F6R 3.32717
144 5WKC TP9 3.32717
145 5WKC AUJ 3.32717
146 1X87 NAD 3.32717
147 3I6B KDO 3.33333
148 2GWH A3P 3.3557
149 5OBU ANP 3.40265
150 5MEX PAP 3.41615
151 1Q1R FAD 3.48028
152 4ITM ATP 3.49206
153 2NXW TPP 3.51201
154 1QO8 FAD 3.51201
155 3EYA TDP 3.51201
156 4D5G FAD 3.51201
157 4D5G TPP 3.51201
158 3EYA FAD 3.51201
159 4B5W PYR 3.51562
160 3VP6 HLD 3.5225
161 2GZ3 NAP 3.55191
162 3CQD ATP 3.55987
163 3LOO B4P 3.56164
164 3NHB ADP 3.59477
165 3BF1 ADP 3.61446
166 1AKY AP5 3.63636
167 5DHU 5A8 3.67647
168 6EOA FMN 3.69231
169 4KGD FAD 3.69686
170 4KGD TDP 3.69686
171 1Q2C COA 3.7037
172 1PFK ADP 3.75
173 5J60 FAD 3.75
174 1OFZ FUC 3.84615
175 2B99 RDL 3.84615
176 1VKJ A3P 3.85965
177 1OAA OAA 3.861
178 2VBF TPP 3.8817
179 5MZN ADP 3.8817
180 4HJY NAG NAG NAG 3.8835
181 3EXH TPP 3.9267
182 2PHN GDP 3.93701
183 5ZBL AMP 3.94089
184 2C1X UDP 3.94737
185 1YKF NAP 3.97727
186 2CDN ADP 3.9801
187 3WQM B29 3.98671
188 4H6U ACO 4
189 1ZRH A3P 4.0146
190 4HA9 NDP 4.01606
191 3KJS NAP 4.03071
192 3KJS DQ1 4.03071
193 1RLZ NAD 4.06504
194 6DWD HDV 4.06654
195 1G3M PCQ 4.08163
196 1G3M A3P 4.08163
197 2OZL TPP 4.10959
198 2G86 UMP 4.11392
199 4IS0 1R4 4.14938
200 2VAR ANP 4.15335
201 1AOE GW3 4.16667
202 1AOE NDP 4.16667
203 4EN4 GT1 4.16667
204 4EN4 ATP 4.16667
205 4EN4 GT0 4.16667
206 3RG9 NDP 4.16667
207 3RG9 WRA 4.16667
208 4LAE NAP 4.19162
209 4LAE 1VM 4.19162
210 4CRZ ACO 4.1958
211 3ZCN ATP 4.2328
212 1G6O ADP 4.24242
213 2VK4 TPP 4.25139
214 4PJ3 ANP 4.25139
215 5CSM TRP 4.29688
216 1L1Q 9DA 4.30108
217 4PPU TYR 4.31655
218 1MJH ATP 4.32099
219 2P4Y C03 4.33213
220 2RH4 EMO 4.33213
221 4UXH T5A 4.34783
222 5XET ME8 4.34783
223 4U0S ADP 4.36047
224 2FZH DH1 4.36893
225 6HKE LMR 4.40252
226 6HKE MLT 4.40252
227 3EEL 53T 4.40529
228 3HBF MYC 4.40529
229 3HBF UDP 4.40529
230 4D7E FAD 4.4289
231 5XJ7 87O 4.47761
232 5XJ8 NKO 4.47761
233 3T7S SAM 4.47761
234 2VWT PYR 4.49438
235 1ITZ TPP 4.62107
236 5B47 TPP 4.62107
237 5B47 PYR 4.62107
238 4WZ8 3W7 4.62107
239 2BL9 NDP 4.62185
240 2BL9 CP6 4.62185
241 2BES RES 4.65116
242 1JUV NDP 4.66321
243 1QS0 TDP 4.6683
244 1TDF FAD 4.74684
245 5AHM IMP 4.75
246 1XAJ CRB 4.80226
247 1XAJ NAD 4.80226
248 3N17 NAG NAG 4.8048
249 2R5N TPP 4.80591
250 2R5N RP5 4.80591
251 2R5N R5P 4.80591
252 1LSH PLD 4.80591
253 5OBY ANP 4.81283
254 2QHD DAO 4.91803
255 1OZH HE3 4.947
256 6F7L FAD 4.97738
257 3VET TOY 4.99076
258 3VET ADP 4.99076
259 3VET CP 4.99076
260 2BW7 APC 5.02283
261 5K8C NAD 5.02793
262 4BFW ZVW 5.03145
263 5EP2 AZU 5.07812
264 1U1F 183 5.07812
265 1W5F G2P 5.09915
266 5AJU RP5 5.10949
267 3ZM6 2GN 5.16129
268 3ITJ FAD 5.1756
269 5ENZ UDP 5.19481
270 6F3M NAD 5.21739
271 1T36 U 5.2356
272 4R2I ANP 5.2381
273 1VM6 NAD 5.26316
274 4N6H EJ4 5.31401
275 2C42 TPP 5.36044
276 2C42 PYR 5.36044
277 3QVV A3P 5.42373
278 3QVV 3QV 5.42373
279 2HK9 NAP 5.45455
280 2HK9 ATR 5.45455
281 2WKW W22 5.4878
282 1RKD ADP 5.50162
283 1RKD RIB 5.50162
284 2GKS ADP 5.54529
285 3UZO GLU 5.58659
286 1Z83 AP5 5.61225
287 1F06 NDP 5.625
288 1F06 2NP 5.625
289 4BQS ADP 5.68182
290 4BQS K2Q 5.68182
291 4LRZ ADP 5.6872
292 3PNL ADP 5.6872
293 5W6Y TRP 5.6962
294 1ZDU P3A 5.71429
295 1TKB N1T 5.73013
296 5YGE ACO 5.74713
297 5YGE GLU 5.74713
298 3S2U UD1 5.75342
299 2GJN NIS 5.79268
300 2GJN FMN 5.79268
301 2B4B COA 5.84795
302 2IYA UDP 5.89623
303 1NYT NAP 5.90406
304 1WUR 8DG 5.90909
305 5ZBK AMP 5.91133
306 1G0H IPD 5.95238
307 1Q9I FAD 5.95447
308 1Q9I TEO 5.95447
309 4A2A ATP 5.96659
310 5E5U MLI 6.03015
311 1ORR NAD 6.05187
312 2AG5 NAD 6.09756
313 1EU8 TRE 6.11247
314 3SIG AR6 6.13718
315 4XDA ADP 6.14887
316 4XDA RIB 6.14887
317 4CFP NAG AMU NAG AMV 6.15836
318 3HIW C2X 6.17761
319 2E0N SAH 6.17761
320 1QF9 C5P 6.18557
321 1QF9 ADP 6.18557
322 1QF9 ALF 6.18557
323 2V2V V12 6.27306
324 2CE7 ADP 6.30252
325 5AZC PGT 6.33333
326 1DR1 NAP 6.34921
327 1DR1 HBI 6.34921
328 1J3I WRA 6.40244
329 1J3I NDP 6.40244
330 4JEM C5P 6.47059
331 1T8U UAP SGN IDS SGN 6.61765
332 1T8U A3P 6.61765
333 4N3A UDP 6.65434
334 1F2U ATP 6.75676
335 2R75 01G 6.80473
336 5ESO ISC 6.83919
337 5ESO TDP 6.83919
338 5ZI9 FLC 6.92308
339 1U70 NDP 6.98925
340 1U70 MTX 6.98925
341 1NVM NAD 7.05128
342 1AQU A3P 7.07071
343 5AYV NAP 7.11974
344 5NM7 GLY 7.14286
345 5O2N NAG 7.20887
346 5O2N NAG NAG NDG NAG 7.20887
347 4AF0 IMP 7.39372
348 1X8J A3P 7.40741
349 5W8Q BU4 7.4359
350 3N7O N7O 7.52212
351 2JBH 5GP 7.55556
352 2ACV UDP 7.5594
353 4RDI ATP 7.63889
354 4RDH AMP 7.63889
355 1EYQ NAR 7.65766
356 5YU3 PRO 7.84884
357 5YU3 NAD 7.84884
358 4OR7 NAP 7.87879
359 6G96 ACO 7.95455
360 3ZLM ANP 7.97872
361 1YRO GDU 8.04196
362 4ONC 40B 8.09859
363 5EYG NAP 8.30189
364 1TIQ COA 8.33333
365 4RGQ 1GP 8.42391
366 4RGQ 13P 8.42391
367 4RGQ NDP 8.42391
368 1LDN NAD 8.5443
369 4D79 ATP 8.69565
370 3ZOK NAD 8.99471
371 1NLM UD1 9.06593
372 4XF6 LIP 9.15751
373 4XF6 ADP 9.15751
374 4XF6 INS 9.15751
375 4UP3 FAD 9.23567
376 4UP3 NDP 9.23567
377 1QHG ATP 9.24214
378 2CWH PYC 9.32945
379 1OLS TDP 9.5
380 1A8R GTP 9.50226
381 4Z24 FAD 9.61183
382 4MKF AP5 9.67742
383 4LPG 1MV 9.86667
384 3DFR NDP 9.87654
385 3CR3 ADP 9.91736
386 3P2E SAH 10.6667
387 3Q72 GNP 10.8434
388 1P72 ADP 11.0778
389 4KXL 6C6 11.1842
390 4HE2 AMP 11.2426
391 1JAY F42 11.3208
392 4IXH IMP 11.3573
393 1RSD PSB 11.5702
394 3H8V ATP 11.6438
395 5B48 TDN 11.8033
396 5LS7 ACO 12.1951
397 1W85 TDP 12.2449
398 4DR9 BB2 13.5417
399 1D1G NDP 14.2857
400 4M7V RAR 14.2857
401 4M7V NAP 14.2857
402 1LSS NAD 14.2857
403 1UKZ ADP 14.7783
404 3SIX GDP 14.8485
405 6CS8 F9Y 14.8515
406 4KM2 TOP 15.0838
407 4KM2 ATR 15.0838
408 2QTR NXX 15.3439
409 3KPE TM3 15.3846
410 4II2 ATP 15.6627
411 5L95 AMP 16.25
412 2XB8 XNW 16.4384
413 6GL8 F3Q 16.8605
414 2CIG 1DG 16.9811
415 4NTD FAD 17.3529
416 2WOE AR6 19.0635
417 3LDQ 3P1 20.1754
418 1S7N COA 20.3297
419 1QHH ATP 20.7101
420 1MVN PCO 21.0526
421 1MVN FMN 21.0526
422 2W9S NDP 21.7391
423 3ZC7 ATP 22.2222
424 3ZCB ATP 22.5806
425 2DYS PGV 27.6596
426 5ZCO PGV 27.6596
427 2DYR PGV 27.6596
428 5Z84 PGV 27.6596
Pocket No.: 4; Query (leader) PDB : 4WBD; Ligand: CIT; 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: 4wbd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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