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Receptor
PDB id Resolution Class Description Source Keywords
5KJW 1.9 Å EC: 2.3.1.133 CRYSTAL STRUCTURE OF COLEUS BLUMEI HCT IN COMPLEX WITH 3- HYDROXYACETOPHENONE SOLENOSTEMON SCUTELLARIOIDES PHENYLPROPANOID METABOLISM BAHD HCT ACYLTRANSFERASE TRAN
Ref.: DYNAMIC CONFORMATIONAL STATES DICTATE SELECTIVITY T NATIVE SUBSTRATE IN A SUBSTRATE-PERMISSIVE ACYLTRAN BIOCHEMISTRY V. 55 6314 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
53C A:800;
B:800;
Valid;
Valid;
none;
none;
submit data
136.148 C8 H8 O2 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KJW 1.9 Å EC: 2.3.1.133 CRYSTAL STRUCTURE OF COLEUS BLUMEI HCT IN COMPLEX WITH 3- HYDROXYACETOPHENONE SOLENOSTEMON SCUTELLARIOIDES PHENYLPROPANOID METABOLISM BAHD HCT ACYLTRANSFERASE TRAN
Ref.: DYNAMIC CONFORMATIONAL STATES DICTATE SELECTIVITY T NATIVE SUBSTRATE IN A SUBSTRATE-PERMISSIVE ACYLTRAN BIOCHEMISTRY V. 55 6314 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5KJW - 53C C8 H8 O2 CC(=O)c1cc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 5KJW - 53C C8 H8 O2 CC(=O)c1cc....
2 5FAN - DHB C7 H6 O4 c1cc(c(cc1....
3 4KEC - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 5FAL - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 5KJU - 6TO C16 H16 O7 c1cc(ccc1/....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5KJW - 53C C8 H8 O2 CC(=O)c1cc....
2 5FAN - DHB C7 H6 O4 c1cc(c(cc1....
3 4KEC - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 5FAL - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 5KJU - 6TO C16 H16 O7 c1cc(ccc1/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 53C; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 53C 1 1
2 3HB 0.59375 0.764706
3 A29 0.527778 0.65
4 RCO 0.428571 0.705882
5 IQQ 0.418605 0.65
6 AC6 0.411765 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KJW; Ligand: 53C; Similar sites found with APoc: 862
This union binding pocket(no: 1) in the query (biounit: 5kjw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2HRL SIA GAL SIA BGC NGA CEQ None
2 1C4Q GLA GAL BGC None
3 4YNU LGC 1.17096
4 4YNU FAD 1.17096
5 4GR5 APC 1.17096
6 3WYJ H78 1.18577
7 3FPZ AHZ 1.22699
8 6GWR FEW 1.26984
9 2IU8 PLM 1.3369
10 1AQU A3P 1.3468
11 3THR C2F 1.36519
12 4Z87 GDP 1.40515
13 2Y5D NAP 1.40515
14 3CW9 AMP 1.40515
15 2R4J 13P 1.40515
16 2R4J FAD 1.40515
17 3EFV NAD 1.40515
18 3HXU A5A 1.40515
19 4PIV NDP 1.40515
20 3IHG FAD 1.40515
21 5LI1 ANP 1.41243
22 3HBN UDP 1.41844
23 1RE8 BD2 1.42857
24 1UJP CIT 1.47601
25 5KMS FAD 1.48148
26 5KMS NAD 1.48148
27 3PE2 E1B 1.48368
28 1DQX BMP 1.49813
29 2PR5 FMN 1.51515
30 2ART LPA AMP 1.52672
31 3UWV 2PG 1.53257
32 1ELI PYC 1.54242
33 5L13 6ZE 1.63934
34 3HKW IX6 1.63934
35 3ZXR P3S 1.63934
36 3ZXR IQ1 1.63934
37 5AXH GLC GLC GLC GLC 1.63934
38 2VL1 GLY GLY 1.63934
39 5WGR PM7 1.63934
40 2WET FAD 1.63934
41 1KY8 NAP 1.63934
42 4AAW R84 1.63934
43 3AB1 FAD 1.66667
44 1HKU NAD 1.67598
45 2WBP SIN 1.67598
46 2WBP ZZU 1.67598
47 2XMY CDK 1.67785
48 5DEY 59T 1.6835
49 6CC0 EWM 1.68776
50 2GQS C2R 1.68776
51 5Z20 NAI 1.73913
52 3E8N ATP 1.75953
53 3E8N VRA 1.75953
54 3PP0 03Q 1.77515
55 5Y72 DST 1.79104
56 5MW4 5JU 1.79641
57 3TWD GOB 1.8018
58 4CE5 PDG 1.8018
59 4EWH T77 1.81818
60 4GCZ FMN 1.81818
61 2YNE NHW 1.82292
62 2YNE YNE 1.82292
63 3B6R ADP 1.83727
64 4QAC KK3 1.84332
65 1BC5 ACE ASN TRP GLU THR PHE 1.85874
66 4RF7 ARG 1.87354
67 2WSA 646 1.87354
68 2WSA MYA 1.87354
69 4L9I 8PR 1.87354
70 1VKO NAD 1.87354
71 2Z3Y F2N 1.87354
72 2XGT NSS 1.87354
73 6F97 FAD 1.87354
74 4B0T ADP 1.87354
75 5X5U NAD 1.87354
76 2PNC CLU 1.87354
77 3O84 HTJ 1.87354
78 5A3T MMK 1.87354
79 2NPX FAD 1.87354
80 1WNG SAH 1.88679
81 1VCE SAH 1.88679
82 3TFJ THG 1.89702
83 3E85 BSU 1.89873
84 1LDN NAD 1.89873
85 5KR7 6X9 1.90736
86 3JQ3 ADP 1.91257
87 3VHE 42Q 1.94986
88 1M15 ARG 1.96078
89 1M15 ADP 1.96078
90 1BW9 PPY 1.96629
91 1C1X HFA 1.97183
92 3SLS ANP 1.97368
93 4ASE AV9 1.983
94 3OIX FMN 2.02899
95 3GLC R5P 2.0339
96 5AHW CMP 2.04082
97 4GID 0GH 2.06186
98 2C91 NAP 2.07101
99 6MJF SAH 2.07254
100 4P8K 38C 2.10773
101 4P8K FAD 2.10773
102 4PZ2 NAD 2.10773
103 2WOX NDP 2.10773
104 3TTC ADP 2.10773
105 3B2Q ATP 2.10773
106 3VRY B43 2.10773
107 3X0V FAD 2.10773
108 4PAB THG 2.10773
109 2WME NAP 2.10773
110 1F52 ADP 2.10773
111 4WZ8 3W7 2.10773
112 5X1M THG 2.10773
113 2UUU FAD 2.10773
114 5X1M DHB 2.10773
115 5O3N 4LU 2.10773
116 4EIL NDP 2.10773
117 5G48 1FL 2.13904
118 2G37 FAD 2.14067
119 2JLD AG1 2.14286
120 6F5W KG1 2.16802
121 3EM0 CHD 2.17391
122 4XMF HSM 2.17391
123 4HWT 1B2 2.17918
124 1KYQ NAD 2.18978
125 4X17 SIA SIA 2.20588
126 4AG8 AXI 2.21519
127 2YAB AMP 2.21607
128 2C78 PUL 2.22222
129 5F3I 5UJ 2.22222
130 2BP1 NDP 2.22222
131 5TA6 79D 2.23464
132 2Q0L FAD 2.2508
133 1JJE BYS 2.25225
134 4I54 1C1 2.26629
135 6GW4 CHO 2.28013
136 2WSI FAD 2.28758
137 6GAR FAD 2.29226
138 5MJA 7O3 2.29508
139 5W75 SUC 2.29592
140 5FNU L6I 2.30263
141 4WUP 3UF 2.30769
142 5B3A 0JO 2.31362
143 4ZUL UN1 2.34192
144 3LVW GSH 2.34192
145 6MVU K4V 2.34192
146 5UCD NAP 2.34192
147 5YB7 ORN 2.34192
148 5YB7 FAD 2.34192
149 3NTD FAD 2.34192
150 1V59 NAD 2.34192
151 6F7L FAD 2.34192
152 3UH0 TSB 2.34192
153 4KCT PYR 2.34192
154 4TXE 38F 2.38095
155 1TRD PGH 2.4
156 4UUG PXG 2.40964
157 5W4W 9WG 2.41692
158 4KBA 1QM 2.41692
159 1LYX PGA 2.41935
160 1SW0 PGA 2.41935
161 4K55 H6P 2.41935
162 5U3F 7TS 2.44565
163 4FHD 0TT 2.44565
164 4FHD EEM 2.44565
165 4TSZ ACE GLN ALC ASP LEU ZCL 2.44565
166 4UWJ 7L5 2.457
167 4UWJ MYA 2.457
168 1QD1 FON 2.46154
169 5DMZ ADP 2.46575
170 5ETR APC 2.48447
171 5ETR 5RW 2.48447
172 4H3P ANP 2.48619
173 1IA9 ANP 2.5
174 5M42 FMN 2.50896
175 1KQN NAD 2.50896
176 3LXN MI1 2.51572
177 5KY9 GDP 2.53521
178 5TCI MLI 2.53623
179 5N5U 7N8 2.54777
180 2AC7 ADN 2.55319
181 5N87 N66 2.55591
182 4WB6 ATP 2.57143
183 3EFS BTN 2.57511
184 3RHJ NAP 2.57611
185 1E1O LYS 2.57611
186 4I3V NAD 2.57611
187 1O9J NAD 2.57611
188 2BJK NAD 2.57611
189 5JFL NAD 2.57611
190 5GSN NAP 2.57611
191 5GSN FAD 2.57611
192 2CDU FAD 2.57611
193 6B5G CQY 2.57611
194 6B5G NAD 2.57611
195 5TS5 FAD 2.57611
196 4AP3 FAD 2.57611
197 4AP3 NAP 2.57611
198 1GPM AMP 2.57611
199 5VN0 FAD 2.57611
200 4ZGS NAD 2.59067
201 2HK5 1BM 2.59259
202 5LW0 AR6 2.5974
203 3VYW SAM 2.5974
204 2OJW ADP 2.60417
205 1L3I SAH 2.60417
206 5KD6 6C7 2.6253
207 5KD6 LBU 2.6253
208 5W5R PYR 2.63158
209 5Z2F NAP 2.64151
210 5OCG 9R5 2.6455
211 2Q1S NAI 2.65252
212 2GU8 796 2.67062
213 4G31 0WH 2.67559
214 3V8S 0HD 2.68293
215 5NEA 8V8 2.69231
216 4MO4 ACP 2.69542
217 3E2M E2M 2.7027
218 3GC8 B45 2.7027
219 2E0N SAH 2.7027
220 2X61 CH 2.71318
221 3HGM ATP 2.72109
222 4E1Z 0MX 2.74914
223 2Y6O 1N1 2.74914
224 5OX6 A1Z 2.77778
225 4BG4 ADP 2.80899
226 4WOE ADP 2.8103
227 1H82 GZZ 2.8103
228 1PJS SAH 2.8103
229 2IID FAD 2.8103
230 2IID PHE 2.8103
231 1VA6 P2S 2.8103
232 1VA6 ADP 2.8103
233 4DP3 MMV 2.8103
234 3UOY NAP 2.8103
235 3UOY FAD 2.8103
236 5DNC ASN 2.8103
237 4R8L ASP 2.8103
238 4OE4 NAD 2.8103
239 1X54 4AD 2.8103
240 5EJL C2E 2.82258
241 5A6N U7E 2.82686
242 5D9G GLU ASN LEU TYR PHE GLN 2.84553
243 3FYS PLM 2.85714
244 5JGA 6KC 2.85714
245 3SSO SAH 2.86396
246 2WA4 069 2.86533
247 2E5A LAQ 2.88184
248 2OFV 242 2.88809
249 6FA4 D1W 2.89017
250 3U40 ADN 2.89256
251 3A5Y KAA 2.89855
252 4R81 FMN 2.91262
253 1KZN CBN 2.92683
254 1ZB6 GST 2.9316
255 1ZB6 DIN 2.9316
256 4OTH DRN 2.93255
257 1Q8Y ADP 2.94906
258 1VJY 460 2.9703
259 1I8T FAD 2.99728
260 1XHC FAD 2.99728
261 1KOR ARG 3
262 1KOR ANP 3
263 1KOR SIN 3
264 4RFM 3P6 3.00752
265 2Y6Q I7T 3.01508
266 4I8P NAD 3.0445
267 4X9X OLA 3.0445
268 6C1S EFV 3.0445
269 3HAZ NAD 3.0445
270 2J3M PRI 3.0445
271 3ICT FAD 3.0445
272 5N9X 8QN 3.0445
273 2J3M ATP 3.0445
274 4NMC 2OP 3.0445
275 4NMC FAD 3.0445
276 4J7H TLO 3.0445
277 3JZ4 NAP 3.0445
278 4LH0 GLV 3.0445
279 3Q9O NAD 3.0445
280 2GMH UQ5 3.0445
281 4USQ FAD 3.04709
282 2OQ2 A3P 3.06513
283 4IEN GDP 3.06748
284 5X68 FAD 3.06905
285 5DEQ ARA 3.07018
286 4A3U FMN 3.07263
287 2YBQ SAH 3.08219
288 4JK3 NAD 3.0888
289 1NE7 AGP 3.11419
290 1HXD BTN 3.11526
291 4YBN FAD 3.125
292 2ZGY GDP 3.125
293 5AYT L6Y 3.14465
294 1GT4 UNA 3.14465
295 6EK3 OUL 3.16742
296 3TKA SAM 3.17003
297 4YJK URA 3.1746
298 5F6U 5VK 3.18471
299 5TZO 7V7 3.19149
300 4CSV STI 3.27273
301 3IES M24 3.27869
302 4X3R 686 3.27869
303 1PG4 COA 3.27869
304 1PG4 PRX 3.27869
305 1T90 NAD 3.27869
306 1I1E DM2 3.27869
307 4HA6 FAD 3.27869
308 3OND ADN 3.27869
309 3OND NAD 3.27869
310 4L3L 5FI 3.28947
311 2O07 MTA 3.28947
312 4F4P 0SB 3.2967
313 5EW9 5VC 3.32103
314 3FUU ADN 3.32103
315 5O3Q CMP 3.33333
316 6GQM F8H 3.35366
317 1UP7 NAD 3.35731
318 5FPE 3TR 3.35917
319 5JZJ AN2 3.367
320 3ACL 3F1 3.37838
321 3EB9 FLC 3.38346
322 2R40 EPH 3.38346
323 1FS5 TLA 3.38346
324 3EWP APR 3.38983
325 1NB9 RBF 3.40136
326 1NB9 ADP 3.40136
327 4HWS 1B3 3.40633
328 4HIA FMN 3.40909
329 2BUP ADP 3.41207
330 2BUP ATP 3.41207
331 1S4M LUM 3.41297
332 4XV1 904 3.42466
333 6F4W FMC 3.43348
334 2QZ4 ADP 3.43511
335 3RF4 FUN 3.44828
336 1F9V ADP 3.45821
337 5FM0 WAQ 3.46154
338 1SC6 NAD 3.46535
339 3I3X U22 3.4749
340 1RO7 CSF 3.4749
341 2RGJ FAD 3.48259
342 4U0I 0LI 3.49206
343 4XTX 590 3.51288
344 2XIQ MLC 3.51288
345 5UL4 SAM 3.51288
346 1OFL NGK GCD 3.51288
347 1K97 ASP 3.51288
348 1K97 CIR 3.51288
349 5V59 8X1 3.51288
350 2D1S SLU 3.51288
351 3KYG 5GP 5GP 3.52423
352 4H6Q FAD 3.52564
353 4H6Q TFB 3.52564
354 5UGH 8AJ 3.52645
355 5LVP ATP 3.53698
356 3G6K POP 3.57143
357 3G6K FAD 3.57143
358 4NTC FAD 3.58209
359 4QIJ 1HA 3.59281
360 4CQE CQE 3.59712
361 1RKX NAD 3.64146
362 4EZW ASN ARG LEU LEU LEU THR GLY 3.65297
363 2AG4 OLA 3.65854
364 2AG4 LP3 3.65854
365 3O0W MAN MAN MAN GLC 3.663
366 1RYI FAD 3.66492
367 1N9L FMN 3.66972
368 3DXY SAM 3.66972
369 1O44 852 3.7037
370 4O9S 2RY 3.72093
371 5N5S NAP 3.74707
372 4Z24 FAD 3.74707
373 2X2M X2M 3.74707
374 4LY9 S6P 3.74707
375 3K56 IS3 3.7594
376 2P7Q GG6 3.7594
377 3OV6 MK0 3.77834
378 2QCS ANP 3.78007
379 4DXD 9PC 3.78788
380 4DXD GDP 3.78788
381 6EWZ APC 3.79747
382 5H9P TD2 3.79747
383 6ALW BNV 3.81944
384 6ALW BMJ 3.81944
385 1U1I NAD 3.82653
386 1UNB AKG 3.85852
387 1UNB PN1 3.85852
388 1JCM 137 3.861
389 4P5Z Q7M 3.87812
390 2GTF P1R 3.88889
391 3OQJ 3CX 3.89105
392 5NIU 8YZ 3.90625
393 4KM2 TOP 3.91061
394 4KM2 ATR 3.91061
395 5MQ5 ASP 3.91566
396 5EXK MET 3.92749
397 3TCT 3MI 3.93701
398 2XVD AS6 3.97351
399 2RCU BUJ 3.98126
400 3VKC FPQ 3.98126
401 5TTJ FAD 3.98126
402 5BSR AMP 3.98126
403 5H9Y BGC BGC BGC BGC 3.98126
404 4FL3 ANP 3.98126
405 5UR0 NAD 4.01146
406 3FIU AMP 4.01606
407 2XXP DSL 4.0201
408 5IUW IAC 4.02414
409 5IUW NAD 4.02414
410 2ED4 FAD 4.02685
411 5HW4 SAM 4.03226
412 1Y7P RIP 4.03587
413 5T2Y 753 4.0404
414 2AZ5 307 4.05405
415 4IPH 1FJ 4.06504
416 2Z1U ATP 4.08163
417 2POC UD1 4.08719
418 5XVG 8FX 4.09556
419 4RD0 GDP 4.09639
420 3SXS PP2 4.10448
421 2NU8 COA 4.12371
422 5LYH 7B8 4.14508
423 4POW OP1 4.15094
424 5VC5 96M 4.15225
425 1MGP PLM 4.15335
426 5BVE 4VG 4.15512
427 5N2D 8J8 4.16667
428 5T8U LPA 4.16667
429 2HMT NAI 4.16667
430 3ORK AGS 4.18006
431 1M5B BN1 4.18251
432 2I8T GDD 4.19162
433 2BL9 CP6 4.20168
434 2BL9 NDP 4.20168
435 5F7R GLC GLC 4.20792
436 3NZ1 3NY 4.21456
437 4O12 2QG 4.21546
438 2GVJ DGB 4.21546
439 1YY5 FAD 4.21546
440 1RSG FAD 4.21546
441 4O8A FAD 4.21546
442 1TIW TFB 4.21546
443 1TIW FAD 4.21546
444 4MOP 2H5 4.21546
445 2H8H H8H 4.21546
446 1CLU DBG 4.21687
447 5F2T PLM 4.22078
448 3FGC FMN 4.22535
449 5HCY 60D 4.22961
450 5HES 032 4.23453
451 4I9B NAD 4.25532
452 4GLW NMN 4.2623
453 5F52 ASP 4.26829
454 2QBU SAH 4.31034
455 2J5B TYE 4.31034
456 3BXF 13P 4.31373
457 3BXF FBP 4.31373
458 1VPV PLM 4.33333
459 5UIU 8CG 4.33437
460 1ZNY GDP 4.34783
461 1ERB ETR 4.37158
462 2PFC PLM 4.37158
463 2RDE C2E 4.38247
464 3LF0 ATP 4.38596
465 2XBP ATP 4.42478
466 4OYA 1VE 4.44965
467 3E9I XAH 4.44965
468 4A0M NAD 4.44965
469 5KF6 NAD 4.44965
470 6FK3 PPI 4.44965
471 2GVC FAD 4.44965
472 1VQW FAD 4.44965
473 5EOW FAD 4.44965
474 5KF6 FAD 4.44965
475 5KF6 TFB 4.44965
476 5VNF VAL THR SER VAL VAL 4.4586
477 2HIM ASP 4.46927
478 2Z3U CRR 4.47059
479 5BW4 SAM 4.49438
480 4NFN 2KC 4.53074
481 3MAG SAH 4.56026
482 1NYW DAU 4.56853
483 1IIU RTL 4.5977
484 1QY1 PRZ 4.5977
485 2V1O COA 4.63576
486 2WLG SOP 4.65116
487 1D6S PLP MET 4.65839
488 1LSH PLD 4.68384
489 5MRH Q9Z 4.68384
490 5AE9 OKO 4.68384
491 2IVD ACJ 4.68384
492 4K5S FAD 4.68384
493 1PHK ATP 4.69799
494 6BQC LOP 4.69974
495 3A5Z KAA 4.71204
496 3MCT SAH 4.7138
497 6G9I CXX 4.7619
498 4NV7 COA 4.80769
499 3X44 PUS 4.81928
500 5N2F 8HW 4.83871
501 1U72 MTX 4.83871
502 1U72 NDP 4.83871
503 4QMN DB8 4.83871
504 5FLJ QUE 4.83871
505 3Q60 ATP 4.85175
506 1X7D NAD 4.85714
507 3TAO PGH 4.86891
508 1SSQ CYS 4.86891
509 5XDT GDP 4.87013
510 5XDT MB3 4.87013
511 5XDT ZI7 4.87013
512 4NBI D3Y 4.87805
513 2YAK OSV 4.91228
514 1WG8 SAM 4.91228
515 3MF2 AMP 4.91329
516 3VZ3 NAP 4.91803
517 3VZ3 SSN 4.91803
518 4YWV SSN 4.91803
519 1W96 S1A 4.91803
520 3ZF8 GDP 4.91803
521 2QHD DAO 4.91803
522 3FW9 SLX 4.91803
523 4JEJ 1GP 4.91803
524 5J75 6GQ 4.92424
525 1OSS BEN 4.93274
526 2AGC DAO 4.93827
527 1LO8 4CA 4.96454
528 5WO4 B7V 4.96689
529 4NAT 2W5 5
530 4NAT ADP 5
531 1YEJ PNF 5.02283
532 2PV7 NAD 5.03356
533 3KV8 FAH 5.03597
534 2J9C ATP 5.04202
535 2J9D ADP 5.04202
536 2J9D AMP 5.04202
537 4ZCC FAD 5.05952
538 5ODY 9SK 5.07246
539 1DZK PRZ 5.09554
540 5OMY 9YE 5.11509
541 1XK9 P34 5.11628
542 4HKP TKW 5.12821
543 6GAS FAD 5.13595
544 3DLG GWE 5.15223
545 3T1A 5MA 5.15223
546 1G9J BGC SGC BGC SGC BGC SGC BGC SGC 5.15223
547 4WNK 453 5.15223
548 2NSX IFM 5.15223
549 2BRY FAD 5.15223
550 1RZU ADP 5.15223
551 2TPI ILE VAL 5.17241
552 5UXH GFB 5.17711
553 3QSB 743 5.19126
554 3KYF 5GP 5GP 5.19481
555 4Y24 TD2 5.19481
556 5TBM 79A 5.21739
557 1XNG ATP 5.22388
558 2I7N ACO 5.27778
559 1RP0 AHZ 5.28169
560 2ZMF CMP 5.29101
561 4WKC BIG 5.30612
562 1HDR NAD 5.32787
563 3A7R LAQ 5.34125
564 1UYY BGC BGC 5.34351
565 4RT1 C2E 5.35714
566 1N5S ADL 5.35714
567 5X8G S0N 5.36082
568 1DL5 SAH 5.36278
569 4BVA T3 5.37313
570 3H5N ATP 5.38244
571 4WCX MET 5.38642
572 5XFV FMN 5.38922
573 5TV6 PML 5.41667
574 2WKQ FMN 5.42169
575 3P7N FMN 5.42636
576 1GQG DCD 5.42857
577 1LNM DTX 5.43478
578 4ITH RCM 5.44218
579 1VRP ADP 5.51181
580 2EW5 Y12 5.52486
581 3QXV MTX 5.55556
582 3TTZ 07N 5.55556
583 2P3T 993 5.5794
584 5JJU AMP 5.58824
585 4R3U 3KK 5.62061
586 4R3U 3HC 5.62061
587 4NS3 NAD 5.62061
588 2C7G ODP 5.62061
589 2C7G FAD 5.62061
590 3SAO DBH 5.625
591 1QCA FUA 5.6338
592 5YJS SAL 5.64103
593 2WZM NA7 5.65371
594 5LUN ARG 5.68182
595 5LUN OGA 5.68182
596 2CSN CKI 5.72391
597 5ZFJ 9BF 5.72687
598 4DQ2 BTX 5.79268
599 2I6A 5I5 5.7971
600 2PWY SAH 5.81395
601 5YRV 5AD 5.83942
602 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 5.85106
603 5LRT ADP 5.8548
604 1RM0 NAI 5.8548
605 1RM0 D6P 5.8548
606 1G51 AMP 5.8548
607 5NKB 8ZT 5.88235
608 4GV4 MEJ 5.88235
609 1WUR 8DG 5.90909
610 4K3H 1OM 5.9322
611 3GPO APR 5.95238
612 5O2D 9HH 6
613 4POO SAM 6
614 4MTI 2DX 6.08696
615 3NKS ACJ 6.08899
616 4FFG 0U8 6.08899
617 2QA1 FAD 6.08899
618 4J6W CTP 6.09756
619 2QIA U20 6.10687
620 2CYC TYR 6.13333
621 3TAY MN0 6.13497
622 5MU6 MYA 6.13811
623 5MU6 KFK 6.13811
624 1MFI FHC 6.14035
625 2Z6D FMN 6.15385
626 2HKA C3S 6.15385
627 1KDK DHT 6.21469
628 4TW7 37K 6.25
629 3N5B ADP 6.25
630 2ZRU FMN 6.25
631 1U6R ADP 6.31579
632 4CS4 AXZ 6.32318
633 4CS4 ANP 6.32318
634 1REQ DCA 6.32318
635 2WLT ASP 6.3253
636 6FYL 3NG 6.33609
637 1F5F DHT 6.34146
638 3RGA LSB 6.36042
639 4H2V AMP 6.36364
640 1SDW IYT 6.36943
641 4UP3 FAD 6.36943
642 2GC0 PAN 6.38298
643 5VCV 1N1 6.43087
644 5OO5 UUA 6.45161
645 2YPI PGA 6.47773
646 3JU6 ANP 6.48649
647 4YRY FAD 6.52174
648 1P1C SAH 6.53266
649 1T36 ADP 6.5445
650 1T36 U 6.5445
651 4ONA UW1 6.55738
652 1ME8 RVP 6.55738
653 1O94 AMP 6.5625
654 3CBC DBS 6.56566
655 2YC5 6BC 6.57895
656 2OO8 RAJ 6.62461
657 4MOB ADP 6.62651
658 4WZH FMN 6.62824
659 3G5D 1N1 6.64336
660 6MPT C30 6.64336
661 1TT8 PHB 6.70732
662 3MVH WFE 6.72515
663 1KZL CRM 6.73077
664 3PVW QRX 6.76471
665 2JK0 ASP 6.76923
666 5KOK S9T 6.80101
667 5KOK R9T 6.80101
668 3SJU NDP 6.81004
669 3TKI S25 6.81115
670 5IXH OTP 6.8323
671 3RUG DB6 6.86275
672 1WOR RED 6.86813
673 3O03 NAP 6.87285
674 6C0T EE4 6.91643
675 3MJY IJZ 6.93642
676 3MJY FMN 6.93642
677 2C49 ADN 6.95364
678 12AS AMP 6.9697
679 5DEP UD1 6.97674
680 4I53 1C1 6.98324
681 4WO4 JLS 7
682 3RWP ABQ 7.02576
683 1QKQ MAN 7.04225
684 3HUJ AGH 7.07071
685 5C9J STE 7.07071
686 1LVG 5GP 7.07071
687 2PVN P63 7.10227
688 1OUK 084 7.10383
689 4L50 D8X 7.14286
690 4LOO SB4 7.20222
691 4W6Z 8ID 7.20461
692 5C5H 4YB 7.25995
693 5F7Y GLC GAL NAG GAL FUC A2G 7.25995
694 5F7N NAG GAL FUC FUC A2G 7.25995
695 3VC3 C6P 7.26744
696 4RDI ATP 7.29167
697 4RDH AMP 7.29167
698 3FW4 CAQ 7.30337
699 5WL1 D3D 7.33333
700 5WL1 CUY 7.33333
701 2GJ5 VD3 7.40741
702 6GG9 FMN 7.40741
703 3GZ8 APR 7.40741
704 1OPK P16 7.49415
705 6A1G 9OL 7.49415
706 1YP4 ADP 7.49415
707 1CER NAD 7.55287
708 5DKK FMN 7.58621
709 4K26 NDP 7.6087
710 4D79 ATP 7.6087
711 6GIN IR2 7.6412
712 2VVL FAD 7.72834
713 2VVM FAD 7.72834
714 1M5W DXP 7.81893
715 5D48 L96 7.89474
716 4DA6 GA2 7.90514
717 5DQ8 FLF 7.91667
718 1T7Q COA 7.96253
719 1T7Q 152 7.96253
720 4Z3X 4KX 7.96253
721 4Z3X MTE 7.96253
722 3IGO ANP 7.96253
723 4EMV 0R9 7.9646
724 3VKX T3 8.04598
725 5UKL SIX 8.06452
726 6BHV DQV 8.11808
727 6B3V 7DQ 8.1579
728 6B3V ANP 8.1579
729 1SU2 ATP 8.1761
730 5W10 CMP 8.20513
731 3WV8 ATP 8.25688
732 4ZTD ALA GLY ALA GLY ALA 8.3004
733 5A5W GUO 8.3004
734 5FUI APY 8.33333
735 5HA0 LTD 8.33333
736 1QDS PGA 8.36653
737 2TPS TPS 8.37004
738 5HWV MBN 8.46154
739 5DYO FLU 8.49057
740 1WPY BTN 8.51064
741 2DXU BT5 8.51064
742 1RYD GLC 8.52713
743 4R38 RBF 8.57143
744 4FG8 ATP 8.57143
745 5H2U 1N1 8.61423
746 4ZH7 FUC GAL NAG GAL FUC 8.66511
747 1NFS DED 8.74317
748 2X34 UQ8 8.83978
749 4WUJ FMN 8.84354
750 2QHS OCA 8.86076
751 5IXG OTP 8.87574
752 1Y60 H4M 8.87574
753 3T4L ZEA 8.88889
754 5HZ9 5M8 8.88889
755 1XT8 CYS 8.90411
756 2DQU CPD 8.92857
757 2X32 OTP 8.93855
758 5A89 FMN 8.97436
759 5A89 ADP 8.97436
760 4ZS4 ATP 9.12052
761 3TTI KBI 9.13349
762 2NNQ T4B 9.16031
763 4F7E 0SH 9.18367
764 3L9R L9Q 9.18367
765 3L9R L9R 9.18367
766 3CM2 X23 9.23077
767 2J7T 274 9.27152
768 2CM4 RCL 9.33333
769 4B2Z P5S 9.36768
770 4XIZ LPP 9.41177
771 5OQW A4E 9.44882
772 4N70 2HX 9.45122
773 4X6F 3XU 9.52381
774 1E6E FAD 9.56522
775 2QMC GTB 9.57447
776 3IWJ NAD 9.60187
777 3IWD M2T 9.67742
778 1ODJ GMP 9.78723
779 6AIN FAD 9.80861
780 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 9.95475
781 5UR1 YY9 9.96785
782 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 10
783 2QHV OC9 10
784 3NCQ ATP 10.084
785 4WHZ 3NL 10.1299
786 3PDT ADP 10.1818
787 5Y4R C2E 10.2041
788 5SVV FMN 10.219
789 5ALC TIQ 10.2564
790 2BOS GLA GAL GLC 10.2941
791 2BOS GLA GAL GLC NBU 10.2941
792 3ZW2 NAG GAL FUC 10.3448
793 5YGE ACO 10.3448
794 2YKL NLD 10.3774
795 4USI ATP 10.3896
796 3IS2 FAD 10.3896
797 2WEI VGG 10.453
798 3R96 ACO 10.6383
799 3R96 AMP 10.6383
800 3H0L ADP 10.6383
801 4NP3 2L2 10.6667
802 5XLY C2E 10.6762
803 3D72 FAD 10.7383
804 3HVJ 705 10.8597
805 5C83 4YN 10.9091
806 3VNM SDD 10.9215
807 4RYV ZEA 10.9677
808 5LXT GTP 11.007
809 2IMP NAI 11.007
810 6GNO XDI 11.1111
811 1HE1 GDP 11.1111
812 3B82 NAD 11.1111
813 1OPB RET 11.194
814 1V3S ATP 11.2069
815 3G08 FEE 11.2281
816 2XG5 EC2 11.5607
817 2XG5 EC5 11.5607
818 4FE2 AIR 11.7647
819 4TWP AXI 11.8081
820 4QYN RTL 12.0301
821 4IAW LIZ 12.234
822 6B2M COA 12.2378
823 2YIP YIO 12.3188
824 2V0U FMN 12.3288
825 4PO2 ASN ARG LEU LEU LEU THR GLY 12.3404
826 5DJU FMN 12.4138
827 2VSL MAA LYS PRO PHE 12.5
828 3ZYR NAG NAG BMA MAN MAN NAG NAG 12.6437
829 3LKJ LKJ 12.766
830 3UW5 MAA CHG PRO 0DQ 12.931
831 5U98 1KX 12.9964
832 3LXK MI1 13.1498
833 5EFW FMN 13.3333
834 5JIC ADP 13.5531
835 5JIC N7E 13.5531
836 6E2B PT7 14.4737
837 4NAE 1GP 14.6667
838 5TUF TDC 14.6699
839 5TUF FAD 14.6699
840 1QAW TRP 14.8649
841 1I7M CG 14.9254
842 3AD8 NAD 15.1515
843 2G30 ALA ALA PHE 15.5039
844 5M6N 7H9 16.1017
845 2FY3 CHT 16.3934
846 3DZ6 M8E 16.4179
847 1MDC PLM 16.6667
848 4NG2 OHN 16.8478
849 4M1U MBG A2G 17.1429
850 2CYE COA 17.2932
851 1N07 FMN 17.7914
852 5L83 ASP TRP GLU ILE VAL 17.8571
853 1WUB OTP 17.9775
854 2P1O NLA 18.125
855 2P1O IHP 18.125
856 2P1M IHP 18.125
857 6D6L FY4 18.2353
858 3UW4 MAA CHG PRO 0DQ 18.4783
859 1KGI T4A 25.1968
860 2RKV COA 28.5714
861 2RKV ZBA 28.5714
862 2ZBA ZBA 28.8056
Pocket No.: 2; Query (leader) PDB : 5KJW; Ligand: 53C; Similar sites found with APoc: 320
This union binding pocket(no: 2) in the query (biounit: 5kjw.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3S5W FAD 0.936768
2 3LGS ADE 1.1236
3 3LGS SAH 1.1236
4 3HDY FDA 1.25945
5 3HDY GDU 1.25945
6 3HDY FAD 1.25945
7 2QE0 NAP 1.40515
8 4XQC 13D 1.40515
9 4XQC NAD 1.40515
10 4YRI 4JH 1.40515
11 1V8B NAD 1.40515
12 5LI9 ACP 1.42857
13 5U19 827 1.46628
14 5U19 SAH 1.46628
15 3V1Y NAD 1.48368
16 3GF4 UPG 1.53846
17 3GF4 FAD 1.53846
18 5I60 67W 1.62602
19 5N1Z 8GQ 1.62602
20 4FWE FAD 1.63934
21 1YQZ FAD 1.63934
22 5J7X FAD 1.63934
23 4MIB 28M 1.63934
24 6C4N NAP 1.63934
25 2BKX F6R 1.65289
26 2C5S AMP 1.69492
27 2NPX NAD 1.87354
28 1COY AND 1.87354
29 2QZZ EMF 1.88679
30 2QZZ NAP 1.88679
31 2II3 CAO 1.9084
32 6GEW SAH 1.95122
33 6GEW SFG 1.95122
34 1EBF NAD 1.95531
35 1BW9 NAD 1.96629
36 6GVZ CHO 1.96721
37 1J5P NAD 1.97628
38 2BO4 FLC 2.01511
39 2B4R AES 2.02899
40 2B4R NAD 2.02899
41 3GRU AMP 2.0339
42 3UYK 0CX 2.06718
43 4FFS BIG 2.09205
44 5M67 NAD 2.10773
45 5M67 3D1 2.10773
46 6ER9 NAP 2.10773
47 6ER9 FAD 2.10773
48 1HDG NAD 2.10843
49 2F6U CIT 2.13675
50 1I9G SAM 2.14286
51 4X17 SIA 2.20588
52 2FUE M1P 2.29008
53 3GE7 AFQ 2.33161
54 3NTA FAD 2.34192
55 2XVF FAD 2.34192
56 5DB3 58Q 2.34192
57 3NT6 FAD 2.34192
58 4ZLU ADP 2.34192
59 4ZLU 4PW 2.34192
60 1XL8 152 2.34192
61 4EWN 0VR 2.37154
62 3QVV 3QV 2.37288
63 3QVV A3P 2.37288
64 3ZJX BOG 2.42215
65 1ZQ9 SAM 2.45614
66 1X14 NAD 2.49377
67 1SBR VIB 2.5
68 2HNK SAH 2.51046
69 2X6T NAP 2.52101
70 2RC5 FAD 2.54777
71 5L2M 6ZY 2.57611
72 5LIA 6XN 2.57611
73 1REO FAD 2.57611
74 2AQJ TRP 2.57611
75 2AQJ FAD 2.57611
76 1P7T ACO 2.57611
77 4S28 SAH 2.57611
78 4S28 AIR 2.57611
79 2BII MTV 2.59434
80 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.63158
81 2JDR L20 2.63158
82 4J36 1HR 2.6506
83 4J36 FAD 2.6506
84 3UDG TMP 2.65781
85 1W8S FBP 2.6616
86 4EMI NAD 2.68293
87 2YVF NAD 2.69608
88 2X61 NGA GAL SIA 2.71318
89 3H8V ATP 2.73973
90 4X7G NAP 2.78884
91 2VT3 ATP 2.7907
92 1H82 FAD 2.8103
93 4D04 FAD 2.8103
94 4D04 NAP 2.8103
95 3NEM AMO 2.8103
96 1JGT APC 2.8103
97 1JGT CMA 2.8103
98 4AF0 IMP 2.8103
99 3ENG CBI 2.8169
100 3OA2 NAD 2.83019
101 4WKB TDI 2.86885
102 6CGD GNP 2.95082
103 3TW1 AHN 2.95359
104 4YUW S4M 2.96053
105 4YUW 4JU 2.96053
106 1ZY5 ANP 2.9703
107 4PYW ACE THR THR ALA ILE NH2 2.9703
108 3PLS ANP 3.02013
109 5HSA FAS 3.0445
110 4J7H TRH 3.0445
111 4TM3 FAD 3.0445
112 3HAZ FAD 3.0445
113 3B9O FMN 3.0445
114 2HJR APR 3.04878
115 5DBX ANP 3.04878
116 5NMX FAD 3.05882
117 2YBQ UP2 3.08219
118 5O0B 9FE 3.08642
119 1U1F 183 3.125
120 2C6Q IMP 3.1339
121 2D2I NAP 3.15789
122 3VC1 GST 3.20513
123 3VC1 SAH 3.20513
124 2QE4 JJ3 3.22581
125 2WQN ADP 3.22581
126 1Q19 APC 3.27869
127 1QHO ABD 3.27869
128 3OYZ ACO 3.27869
129 5E3Q SCA 3.31126
130 2DT5 NAD 3.31754
131 4E5N NAD 3.33333
132 4QRH 0O2 3.33333
133 3WG3 A2G GAL NAG FUC 3.37079
134 3LXD FAD 3.37349
135 4F9C 0SX 3.47222
136 6E1Q CFA 3.51288
137 1OX5 1PR 3.51288
138 2QK4 ATP 3.51288
139 1QPR PPC 3.52113
140 5VFC 9BA 3.53698
141 3B20 NAD 3.53982
142 5YGF ASP GLN GLY ARG GLY ARG ARG ARG PRO 3.58744
143 3FSY SCA 3.61446
144 5LD5 NAD 3.63128
145 1YFS ALA 3.65591
146 1RYI GOA 3.66492
147 1GTE FAD 3.74707
148 5X7Q GLC GLC GLC BGC 3.74707
149 1LVL NAD 3.74707
150 3CGB FAD 3.74707
151 6H3O FAD 3.74707
152 5ECP ATP 3.74707
153 5X7Q GLC GLC GLC GLC 3.74707
154 5X7Q GLC GLC GLC GLC GLC 3.74707
155 3EPO MP5 3.74707
156 5ECP JAA 3.74707
157 5ECP MET 3.74707
158 4PW9 MSS 3.79404
159 3KRL KRL 3.8806
160 3FC2 IBI 3.8806
161 1K27 MTM 3.88693
162 3UXL CFI 3.91645
163 5KVA SAM 3.95683
164 3A76 SPD 3.97727
165 3FZG SAM 4
166 4GUT FAD 4.03226
167 1Y42 TYR 4.08163
168 2PX8 SAH 4.08922
169 1I2L DCS 4.08922
170 3D91 REM 4.10557
171 5DN9 NAD 4.12088
172 1OVD ORO 4.18006
173 1OVD FMN 4.18006
174 3KEE 30B 4.21053
175 4REP FAD 4.21546
176 5EB4 FAD 4.21546
177 6BQ6 TER 4.22961
178 2G5C NAD 4.27046
179 1R37 NAD 4.32277
180 5OM2 DXT 4.33604
181 2A4W BLM 4.34783
182 2XTS MTE 4.39024
183 5OC1 FAD 4.44965
184 2HIM ASN 4.46927
185 4ZVV NAD 4.51807
186 4ZVV GN0 4.51807
187 3I9U DTU 4.56274
188 4XUC SAM 4.58716
189 4XUC 43G 4.58716
190 4C3Y ANB 4.68384
191 4C3Y FAD 4.68384
192 4I4Z 2NE 4.72727
193 3R5Y F42 4.7619
194 6GBV FMN 4.79452
195 3C0G 3AM 4.8433
196 2BYS LOB 4.84582
197 4USF 6UI 4.93421
198 4L2I NAD 4.94297
199 4QAR ADE 4.97512
200 2FAV APR 5
201 1YOA FAD 5.03145
202 1A69 FMB 5.04202
203 3L4S 3PG 5.05952
204 3L4S NAD 5.05952
205 3PA8 621 5.11811
206 5X20 NAD 5.12821
207 3HRD FAD 5.15152
208 4TXI FAD 5.15223
209 4J56 FAD 5.15223
210 2CE7 ADP 5.15223
211 5NII FAD 5.17799
212 5MIT FAD 5.19878
213 5MIT NAP 5.19878
214 4OAS 2SW 5.20833
215 4BTI 7R9 5.20833
216 4NJH 2K8 5.21739
217 4NJH SAM 5.21739
218 2Z6C FMN 5.42636
219 5CAE SIN 5.43131
220 3H9E NAD 5.49133
221 5Z21 NAI 5.58659
222 2JB2 PHE 5.62061
223 2JB2 FAD 5.62061
224 4DHY S41 5.62061
225 3SAO NKN 5.625
226 3ESS 18N 5.65217
227 3MI2 PFU 5.73477
228 1PQ7 ARG 5.80357
229 1HYH NAD 5.82524
230 3HAD NAD 5.84416
231 3FHI ANP 5.84416
232 1VKF CIT 5.85106
233 2RGO FAD 5.8548
234 5ERG SAM 5.8548
235 1EZ0 NAP 5.88235
236 4PJT 2YQ 5.94595
237 5JE8 NAD 5.96026
238 1DSS NAD 6.00601
239 4RPL FAD 6.01504
240 4RPL 3UC 6.01504
241 2RIO ADP 6.08899
242 5NWD 9C8 6.12245
243 4XCB HY0 6.13027
244 2QCD U5P 6.15385
245 5H5J FAD 6.18557
246 2F5Z FAD 6.25
247 5N6C NAD 6.33333
248 6BQK Z1E 6.39269
249 6HTO 5AD 6.5
250 6HTO MET 6.5
251 4YRY NAD 6.52174
252 1NAA 6FA 6.55738
253 1O97 AMP 6.5625
254 3GL0 HXX 6.59026
255 1WAP TRP 6.66667
256 1QO8 FAD 6.79157
257 4H2X G5A 6.79612
258 4C0X FMN 6.89655
259 4IGQ THR M3L GLN 6.94444
260 3CIF G3H 6.96379
261 3CIF NAD 6.96379
262 4U0O MTA 7.09459
263 5Y8L NAD 7.11864
264 4H6B 10X 7.17949
265 4WVO 3UZ 7.18232
266 1JE1