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Receptor
PDB id Resolution Class Description Source Keywords
1x8j 2.35 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF RETINOL DEHYDRATASE IN COMPLEX WITH AND AND INACTIVE COFACTOR PAP SPODOPTERA FRUGIPERDA SULFOTRANSFERASE DEHYDRATASE STEROID BINDING. TRANSFERASE
Ref.: THE STRUCTURES OF THE UNIQUE SULFOTRANSFERASE RETIN DEHYDRATASE WITH PRODUCT AND INHIBITORS PROVIDE INS ENZYME MECHANISM AND INHIBITION. PROTEIN SCI. V. 14 176 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P A:601;
A:602;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
AE2 A:400;
B:500;
Valid;
Valid;
none;
none;
Ki = 0.11 uM
290.44 C19 H30 O2 C[C@]...
CA A:600;
B:700;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1X8J 2.35 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF RETINOL DEHYDRATASE IN COMPLEX WITH AND AND INACTIVE COFACTOR PAP SPODOPTERA FRUGIPERDA SULFOTRANSFERASE DEHYDRATASE STEROID BINDING. TRANSFERASE
Ref.: THE STRUCTURES OF THE UNIQUE SULFOTRANSFERASE RETIN DEHYDRATASE WITH PRODUCT AND INHIBITORS PROVIDE INS ENZYME MECHANISM AND INHIBITION. PROTEIN SCI. V. 14 176 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1X8L - OXR C20 H28 O2 CC1=C(C(CC....
2 1X8J Ki = 0.11 uM AE2 C19 H30 O2 C[C@]12CC[....
3 1FMJ - RTL C20 H30 O CC1=C(C(CC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 1X8L - OXR C20 H28 O2 CC1=C(C(CC....
2 1X8J Ki = 0.11 uM AE2 C19 H30 O2 C[C@]12CC[....
3 1FMJ - RTL C20 H30 O CC1=C(C(CC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1X8L - OXR C20 H28 O2 CC1=C(C(CC....
2 1X8J Ki = 0.11 uM AE2 C19 H30 O2 C[C@]12CC[....
3 1FMJ - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A3P; Similar ligands found: 402
No: Ligand ECFP6 Tc MDL keys Tc
1 A3P 1 1
2 PAP 0.835616 0.985507
3 PPS 0.802632 0.871795
4 3AM 0.794118 0.956522
5 AMP 0.684932 0.971014
6 A 0.684932 0.971014
7 A2P 0.684211 0.985294
8 7D5 0.666667 0.902778
9 2AM 0.635135 0.942857
10 A A A 0.611111 0.90411
11 ATR 0.595238 0.971014
12 ABM 0.594937 0.916667
13 A2D 0.594937 0.943662
14 ADP 0.592593 0.971429
15 SRA 0.589744 0.917808
16 A A 0.586957 0.943662
17 ADN 0.585714 0.816901
18 RAB 0.585714 0.816901
19 XYA 0.585714 0.816901
20 AN2 0.585366 0.957747
21 A22 0.58427 0.957747
22 PUA 0.583333 0.883117
23 0WD 0.580952 0.894737
24 AP2 0.580247 0.931507
25 BA3 0.580247 0.943662
26 A12 0.580247 0.931507
27 ATP A A A 0.578947 0.929577
28 25A 0.577778 0.971429
29 SAP 0.576471 0.918919
30 AGS 0.576471 0.918919
31 AP5 0.573171 0.943662
32 B4P 0.573171 0.943662
33 ATP 0.571429 0.971429
34 HEJ 0.571429 0.971429
35 OVE 0.56962 0.90411
36 7D3 0.567901 0.90411
37 AT4 0.566265 0.931507
38 AQP 0.564706 0.971429
39 2A5 0.564706 0.917808
40 APC 0.564706 0.931507
41 5FA 0.564706 0.971429
42 V3L 0.563218 0.971429
43 APU 0.563107 0.918919
44 PAX 0.5625 0.85
45 DCA 0.559633 0.8
46 ETB 0.559633 0.809524
47 CA0 0.559524 0.917808
48 AU1 0.559524 0.944444
49 M33 0.559524 0.930556
50 ADX 0.559524 0.848101
51 A2R 0.555556 0.957747
52 ACP 0.552941 0.944444
53 50T 0.552941 0.930556
54 COA 0.54955 0.8
55 0T1 0.54955 0.8
56 AR6 0.546512 0.943662
57 PRX 0.546512 0.891892
58 APR 0.546512 0.943662
59 ACQ 0.545455 0.944444
60 TAT 0.545455 0.931507
61 T99 0.545455 0.931507
62 DA 0.54321 0.902778
63 D5M 0.54321 0.902778
64 7D4 0.541176 0.90411
65 AD9 0.54023 0.944444
66 ADV 0.54023 0.905405
67 RBY 0.54023 0.905405
68 ADQ 0.537634 0.917808
69 30N 0.535088 0.731183
70 COS 0.535088 0.781609
71 CAO 0.535088 0.772727
72 AMX 0.535088 0.809524
73 CMX 0.530435 0.8
74 SCO 0.530435 0.8
75 SON 0.529412 0.931507
76 ANP 0.52809 0.944444
77 GAP 0.52809 0.891892
78 7D7 0.527778 0.763889
79 6YZ 0.527473 0.944444
80 5N5 0.527027 0.791667
81 OOB 0.526882 0.930556
82 NA7 0.526316 0.931507
83 ACO 0.525862 0.772727
84 FCX 0.525862 0.772727
85 FAM 0.525862 0.781609
86 ADP PO3 0.522727 0.942857
87 5AL 0.522222 0.930556
88 HAX 0.521368 0.781609
89 5CD 0.52 0.802817
90 A4D 0.52 0.791667
91 LMS 0.518519 0.825
92 3KK 0.516949 0.781609
93 FYN 0.516949 0.8
94 ATF 0.516484 0.931507
95 00A 0.515789 0.881579
96 DLL 0.515789 0.930556
97 DTA 0.512821 0.783784
98 SOP 0.512605 0.781609
99 OXK 0.512605 0.781609
100 CA6 0.512605 0.708333
101 COK 0.512605 0.781609
102 MCD 0.512605 0.781609
103 VO4 ADP 0.51087 0.930556
104 ADP VO4 0.51087 0.930556
105 SRP 0.51087 0.905405
106 9ZD 0.510638 0.906667
107 9ZA 0.510638 0.906667
108 ADP BMA 0.510417 0.891892
109 25L 0.510204 0.957747
110 G A A A 0.509091 0.87013
111 A C A C 0.508929 0.846154
112 1VU 0.508333 0.772727
113 NMX 0.508333 0.73913
114 CO6 0.508333 0.781609
115 CMC 0.508333 0.781609
116 MTA 0.506329 0.77027
117 A3G 0.506024 0.773333
118 PAJ 0.505263 0.858974
119 A U 0.504673 0.868421
120 2MC 0.504132 0.747253
121 CAJ 0.504132 0.781609
122 SCD 0.504132 0.8
123 EP4 0.5 0.75
124 3OD 0.5 0.917808
125 BCO 0.5 0.781609
126 IVC 0.5 0.790698
127 ADP ALF 0.5 0.868421
128 A1S 0.5 0.781609
129 ALF ADP 0.5 0.868421
130 3HC 0.5 0.790698
131 MLC 0.5 0.781609
132 FYA 0.5 0.90411
133 1HE 0.5 0.764045
134 PTJ 0.5 0.894737
135 MAP 0.5 0.918919
136 COO 0.495935 0.781609
137 MCA 0.495935 0.772727
138 CAA 0.495935 0.790698
139 YE1 0.495935 0.790698
140 U A C C 0.495575 0.857143
141 A G 0.495495 0.881579
142 3UK 0.494845 0.917808
143 9X8 0.494845 0.893333
144 OAD 0.494845 0.917808
145 5SV 0.494737 0.846154
146 8QN 0.494737 0.930556
147 101 0.493976 0.902778
148 6RE 0.493976 0.75641
149 3DH 0.493827 0.77027
150 M2T 0.493671 0.730769
151 5AD 0.493151 0.742857
152 MC4 0.491935 0.73913
153 SCA 0.491935 0.781609
154 2CP 0.491935 0.772727
155 U A G G 0.491071 0.881579
156 WAQ 0.489796 0.881579
157 B5V 0.489796 0.905405
158 4AD 0.489583 0.893333
159 AMO 0.489583 0.905405
160 A3R 0.489583 0.881579
161 A1R 0.489583 0.881579
162 AOC 0.488095 0.819444
163 COW 0.488 0.772727
164 CA8 0.488 0.708333
165 3CP 0.488 0.781609
166 HGG 0.488 0.781609
167 2KQ 0.488 0.764045
168 COF 0.488 0.764045
169 BYC 0.488 0.781609
170 IRC 0.488 0.790698
171 1GZ 0.488 0.772727
172 Y3J 0.486842 0.722222
173 B5Y 0.485149 0.893333
174 FA5 0.485149 0.905405
175 1ZZ 0.484848 0.8375
176 AHX 0.484536 0.87013
177 DAL AMP 0.484211 0.90411
178 4CA 0.484127 0.772727
179 FAQ 0.484127 0.781609
180 BCA 0.484127 0.772727
181 AV2 0.483871 0.916667
182 DAT 0.483146 0.90411
183 5X8 0.483146 0.76
184 5AS 0.482759 0.776471
185 APC G U 0.482456 0.857143
186 ANZ 0.480769 0.820513
187 3AD 0.480519 0.828571
188 GRA 0.480315 0.781609
189 HXC 0.480315 0.764045
190 3AT 0.478261 0.971429
191 A3S 0.477273 0.783784
192 TGC 0.476562 0.772727
193 9SN 0.475248 0.87013
194 LAD 0.474747 0.858974
195 PR8 0.474747 0.848101
196 S0N 0.472868 0.781609
197 2NE 0.472868 0.764045
198 CIC 0.472868 0.781609
199 CCQ 0.472868 0.747253
200 1CZ 0.472868 0.772727
201 CO8 0.472868 0.764045
202 A5D 0.472527 0.783784
203 DSH 0.470588 0.721519
204 YAP 0.470588 0.893333
205 B5M 0.470588 0.893333
206 NB8 0.47 0.87013
207 TXA 0.47 0.905405
208 ME8 0.47 0.8375
209 BIS 0.47 0.906667
210 0FQ 0.469231 0.781609
211 4CO 0.469231 0.772727
212 DCC 0.469231 0.764045
213 UCC 0.469231 0.764045
214 MYA 0.469231 0.764045
215 MFK 0.469231 0.764045
216 5F9 0.469231 0.764045
217 ST9 0.469231 0.764045
218 A3T 0.466667 0.794521
219 U A A U 0.466667 0.906667
220 01A 0.465649 0.747253
221 0ET 0.465649 0.764045
222 TM1 0.465347 0.792683
223 AS 0.465116 0.855263
224 IMO 0.465116 0.928571
225 J7C 0.465116 0.766234
226 PO4 PO4 A A A A PO4 0.464646 0.928571
227 ZAS 0.464286 0.763158
228 DTP 0.462366 0.90411
229 DQV 0.462264 0.930556
230 CS8 0.462121 0.755556
231 WCA 0.462121 0.764045
232 1CV 0.462121 0.781609
233 4UV 0.461538 0.893333
234 NJP 0.460177 0.918919
235 S4M 0.45977 0.662791
236 HDC 0.458647 0.764045
237 NHW 0.458647 0.764045
238 4KX 0.458647 0.755556
239 NHM 0.458647 0.764045
240 UOQ 0.458647 0.764045
241 LAQ 0.457944 0.8375
242 JB6 0.455446 0.881579
243 NPW 0.455357 0.860759
244 NDP 0.455357 0.894737
245 HFQ 0.455224 0.764045
246 MRR 0.455224 0.764045
247 MRS 0.455224 0.764045
248 MAO 0.454545 0.756098
249 UPA 0.454545 0.881579
250 GGZ 0.453608 0.822785
251 NEC 0.453488 0.72
252 4UU 0.45283 0.893333
253 AFH 0.45283 0.858974
254 NHQ 0.452555 0.790698
255 XAH 0.451923 0.8375
256 YNC 0.451852 0.772727
257 DAK 0.451852 0.755556
258 G5A 0.451613 0.776471
259 SAH 0.451613 0.74026
260 MYR AMP 0.45098 0.814815
261 SFG 0.450549 0.746667
262 2VA 0.450549 0.773333
263 4UW 0.449541 0.858974
264 8Z2 0.448529 0.755556
265 A3N 0.448276 0.76
266 A U C C 0.448 0.846154
267 V1N 0.447619 0.916667
268 AMP DBH 0.447619 0.866667
269 TYR AMP 0.447619 0.868421
270 103 0.447059 0.861111
271 ACK 0.447059 0.885714
272 QQY 0.447059 0.837838
273 3NZ 0.445545 0.75641
274 TYM 0.445455 0.905405
275 A G U 0.445312 0.8375
276 A7D 0.444444 0.773333
277 XNP 0.443478 0.871795
278 G3A 0.443396 0.894737
279 GJV 0.443182 0.746835
280 9K8 0.441176 0.711111
281 SA8 0.44086 0.703704
282 NVA 2AD 0.44086 0.734177
283 YLP 0.440367 0.817073
284 48N 0.440367 0.87013
285 WMP 0.439655 0.864865
286 AR6 AR6 0.439252 0.916667
287 G5P 0.439252 0.894737
288 GA7 0.439252 0.88
289 D3Y 0.438776 0.763158
290 G3D 0.438776 0.905405
291 TSB 0.438776 0.795181
292 NZQ 0.438596 0.883117
293 TXP 0.438596 0.894737
294 ZZB 0.438596 0.792683
295 A5A 0.4375 0.804878
296 DND 0.436364 0.905405
297 NXX 0.436364 0.905405
298 NAX 0.436364 0.848101
299 NAI 0.436364 0.881579
300 UP5 0.436364 0.893333
301 VRT 0.43617 0.74359
302 SO8 0.43617 0.763158
303 SAI 0.43617 0.730769
304 1HA 0.435714 0.764045
305 A6D 0.435644 0.719512
306 QQX 0.435294 0.826667
307 GTA 0.435185 0.860759
308 TAD 0.435185 0.858974
309 ODP 0.434783 0.883117
310 SSA 0.43299 0.776471
311 SMM 0.43299 0.682353
312 01K 0.432624 0.781609
313 OMR 0.432432 0.82716
314 DDS 0.431579 0.876712
315 139 0.429825 0.848101
316 COT 0.429577 0.781609
317 F8G 0.429577 0.731183
318 A G U U 0.428571 0.8375
319 54H 0.428571 0.785714
320 52H 0.428571 0.776471
321 CC5 0.428571 0.814286
322 AP0 0.428571 0.87013
323 4TC 0.428571 0.87013
324 VMS 0.428571 0.785714
325 DZD 0.42735 0.858974
326 LPA AMP 0.427273 0.814815
327 EEM 0.427083 0.686747
328 AAT 0.427083 0.703704
329 ARG AMP 0.425926 0.82716
330 7MD 0.425926 0.8375
331 3L1 0.425 0.77027
332 3D1 0.425 0.77027
333 53H 0.424242 0.776471
334 5CA 0.424242 0.776471
335 8X1 0.424242 0.75
336 MHZ 0.423913 0.694118
337 CA3 0.423611 0.781609
338 TXD 0.423423 0.881579
339 6V0 0.423423 0.87013
340 1DG 0.422764 0.894737
341 DG1 0.422764 0.894737
342 TAP 0.422764 0.906667
343 38Y 0.422414 0.804878
344 IOT 0.421053 0.829268
345 U A 0.420168 0.906667
346 TXE 0.419643 0.881579
347 S7M 0.418367 0.686747
348 AHZ 0.418182 0.814815
349 P5A 0.417476 0.741573
350 T5A 0.417391 0.817073
351 SAM 0.416667 0.686747
352 YLC 0.415929 0.8375
353 YLB 0.415929 0.817073
354 F0P 0.415929 0.725
355 7MC 0.415929 0.817073
356 CPA 0.415929 0.825
357 DSZ 0.415842 0.776471
358 NSS 0.415842 0.776471
359 LSS 0.415842 0.758621
360 AAM 0.41573 0.971014
361 8PZ 0.415094 0.776471
362 NAP 0.414634 0.944444
363 SP1 0.413793 0.864865
364 RP1 0.413793 0.864865
365 CNA 0.413793 0.905405
366 A4P 0.412281 0.819277
367 NVA LMS 0.411765 0.75
368 YSA 0.411215 0.776471
369 8BR 0.411111 0.905405
370 F2R 0.410256 0.839506
371 5J9 0.409524 0.728395
372 CA5 0.409396 0.747253
373 ITT 0.408602 0.915493
374 NA0 0.408 0.931507
375 LEU LMS 0.407767 0.75
376 HMG 0.407407 0.75
377 AF3 ADP 3PG 0.40708 0.835443
378 NAD 0.40678 0.930556
379 COD 0.40678 0.788235
380 93P 0.406667 0.772727
381 UCA 0.406667 0.764045
382 CMP 0.406593 0.927536
383 71V 0.406593 0.881579
384 2BA 0.406593 0.942029
385 6C6 0.40625 0.88
386 GEK 0.405941 0.734177
387 12D 0.405405 0.783133
388 ADJ 0.405172 0.82716
389 YLA 0.405172 0.817073
390 KAA 0.403846 0.75
391 GSU 0.403846 0.776471
392 BT5 0.403361 0.829268
393 3GP 0.402174 0.891892
394 6IA 0.402062 0.835443
395 0UM 0.401961 0.695122
396 AYB 0.401709 0.807229
397 M24 0.401639 0.848101
398 PLM COA 0.40146 0.733333
399 COA PLM 0.40146 0.733333
400 80F 0.4 0.817073
401 J7V 0.4 0.809524
402 A3D 0.4 0.917808
Ligand no: 2; Ligand: AE2; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AE2 1 1
2 AOX 1 1
3 5SD 0.565217 0.8125
4 ANO 0.565217 0.8125
5 AOM 0.514706 0.90625
6 AON 0.514706 0.90625
7 4OA 0.423529 0.861111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1X8J; Ligand: A3P; Similar sites found with APoc: 345
This union binding pocket(no: 1) in the query (biounit: 1x8j.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 2HT6 GDP None
2 1ZEI CRS None
3 2CJW GDP None
4 1Z0A GDP 0.574713
5 3DC4 ADP 1.16279
6 4WZ6 ATP 1.37931
7 1R0X ATP 1.3986
8 4B47 GDP 1.4245
9 1G7S GDP 1.4245
10 5HR5 ADP 1.4245
11 3EC1 GDP 1.4245
12 4QOS ADP 1.50943
13 3T1O GDP 1.51515
14 2ZFI ADP 1.7094
15 1KGZ PRP 1.73913
16 5GLN XYP XYP XYP 1.74419
17 2PZE ATP 1.74672
18 3Q85 GNP 1.77515
19 4LC1 GDP 1.78042
20 1BG2 ADP 1.84615
21 4PYA 2X3 1.86335
22 2HFK E4H 1.88088
23 3A1S GDP 1.93798
24 5TSH ADP 1.9943
25 2NCD ADP 1.9943
26 4TQK NAG 1.9943
27 2IS6 ADP 1.9943
28 5TSH ANP 1.9943
29 2QEN ADP 2
30 2XT3 ADP 2.03488
31 3ITJ CIT 2.07101
32 2V5K OXM 2.09059
33 3AQ4 GDP 2.17391
34 1KY3 GDP 2.1978
35 4FCW ADP 2.2508
36 2OG2 MLI 2.2792
37 1DAR GDP 2.2792
38 1V8K ANP 2.2792
39 2GK6 ADP 2.2792
40 6B4K ANP 2.2792
41 5KSZ GCP 2.2792
42 2VVG ADP 2.28571
43 5EXT ADP 2.30769
44 3TTM PUT 2.31214
45 5VGR GDP 2.32019
46 4B5W PYR 2.34375
47 2J0V GDP 2.35849
48 4LJ9 ACP 2.35988
49 1CR1 TTP 2.36486
50 1M7G AV2 2.36967
51 3TK1 GDP 2.42424
52 3E70 GDP 2.43902
53 4LPS GDP 2.47934
54 1P6O HPY 2.48447
55 2AWN ADP 2.5641
56 5H7J GCP 2.5641
57 5H7K GDP 2.5641
58 1NY5 ADP 2.5641
59 5FPN KYD 2.5641
60 2NZ2 ASP 2.5641
61 1K6M AGS 2.5641
62 3BFV ADP 2.58303
63 2OBM ADP 2.59366
64 1U0J ADP 2.62172
65 3B9Q MLI 2.64901
66 1RRC ADP 2.65781
67 5L3V GDP 2.67559
68 6G14 G4P 2.72109
69 1FZQ GDP 2.76243
70 4DKX GDP 2.77778
71 6AIC AMP 2.80374
72 3BER AMP 2.81124
73 1OXV ANP 2.849
74 2FAH GDP 2.849
75 2FNA ADP 2.849
76 3MD0 GDP 2.849
77 2GKS ADP 2.849
78 1YTM ATP 2.849
79 1Z6T ADP 2.849
80 3IO3 ADP 2.87356
81 1ION ADP 2.88066
82 2OFW ADX 2.88462
83 4YLG GDP 2.89017
84 5LXB 7A9 2.89256
85 1JJV ATP 2.91262
86 5U32 GDP 2.9661
87 1LVG ADP 3.0303
88 1G6O ADP 3.0303
89 1B0U ATP 3.05344
90 4FRZ ADP 3.1339
91 1GOJ ADP 3.1339
92 4DCT GDP 3.1339
93 4YJ1 ADP 3.1339
94 1Q19 SSC 3.1339
95 5FG3 GDP 3.1339
96 3DZD ADP 3.1339
97 4LYA ATP 3.1339
98 5BN3 ADP 3.1339
99 2BO4 FLC 3.1339
100 1R6B ADP 3.1339
101 1G41 ADP 3.1339
102 5WC2 ADP 3.1339
103 1XX6 ADP 3.14136
104 1VKJ A3P 3.15789
105 1Y63 ADP 3.26087
106 1H65 GDP 3.33333
107 2PEZ DAT 3.35196
108 2OZE AGS 3.3557
109 3NOJ PYR 3.36134
110 4NTO 1PW 3.38164
111 2GDJ ANP 3.40909
112 5GVR LMR 3.4188
113 1XP8 AGS 3.4188
114 4KBF AMP 3.4188
115 5M7P ADP 3.4188
116 5Z69 AGS 3.4188
117 2ZJ5 ADP 3.4188
118 1T5C ADP 3.4384
119 1S9D GDP 3.44828
120 4J25 OGA 3.49345
121 4N14 WR7 3.50318
122 1UJ2 C5P 3.57143
123 4ZNL BEF ADP 3.64964
124 1D2N ANP 3.67647
125 4R98 GNH 3.69004
126 5ZXD ATP 3.7037
127 1KC7 PPR 3.7037
128 2WHX ADP 3.7037
129 2XAU ADP 3.7037
130 5FTB ANP 3.7037
131 4PPF FLC 3.71429
132 1F9V ADP 3.7464
133 6CB2 OLC 3.75427
134 3CNL GNP 3.81679
135 1JJ7 ADP 3.84615
136 3NHB ADP 3.92157
137 5I34 GDP 3.9886
138 3QDK QDK 4.02098
139 3IP8 B85 4.03226
140 2G77 GDP 4.0404
141 3GJ4 GDP 4.0724
142 4U00 ADP 4.09836
143 1G16 GDP 4.11765
144 5BXQ GDP 4.16667
145 2WJH GDP 4.21687
146 2X77 GDP 4.2328
147 2PL3 ADP 4.23729
148 1XMV ADP 4.2735
149 4R43 GDP 4.2735
150 2DPY ADP 4.2735
151 1SKQ GDP 4.2735
152 2C9O ADP 4.2735
153 6DEF GCP 4.2735
154 5IRN ADP 4.2735
155 6FAA ADP 4.2735
156 1NST A3P 4.30769
157 3EWA ANP 4.34783
158 2BCG GDP 4.36893
159 2DTJ THR 4.49438
160 2WIC GNP 4.49438
161 4YMU ATP 4.54545
162 4KVL PLM 4.5584
163 1D2E GDP 4.5584
164 3PQC GDP 4.61538
165 4P3Y GDP 4.82234
166 3U6B GDP 4.82234
167 4G5G GDP 4.82234
168 5JBQ GDP 4.82234
169 3U6K GDP 4.82234
170 4YDS ATP 4.82456
171 1D8T GDP 4.83461
172 5LB3 ADP 4.8433
173 3ZFD ANP 4.8433
174 2CE7 ADP 4.8433
175 4E03 ADP 4.85437
176 2CHG ANP 4.86726
177 2IYL GDP 4.92958
178 1YRB GDP 4.96183
179 5WRI A3P 5
180 3BD9 A3P 5
181 3A4M ADP 5
182 5E5U MLI 5.02513
183 2CBZ ATP 5.06329
184 5W7Q GDP 5.09383
185 2B8W ALF 5GP 5.18293
186 2D2F ADP 5.2
187 3KTA AP5 5.20231
188 3B7G ANP 5.21739
189 5KSP GDP 5.26316
190 5WRJ A3P 5.28053
191 1VG9 GDP 5.40541
192 4J0Q GDP 5.41311
193 1W0J ADP 5.41311
194 1FNN ADP 5.41311
195 5W76 GDP 5.41311
196 4HSE ADP 5.41311
197 1XKV ATP 5.41311
198 1W0J ADP BEF 5.41311
199 2I4I AMP 5.41311
200 3Q72 GNP 5.42169
201 1G3Q ADP 5.48523
202 5XQL C2E 5.49828
203 3UIE ANP 5.5
204 2EFE GNH 5.52486
205 2XZ9 PYR 5.55556
206 3N5C GDP 5.55556
207 2ZTS ADP 5.57769
208 2HCJ GDP 5.67164
209 4BQS ADP 5.68182
210 3WY9 GDP 5.69801
211 3WYA GDP 5.69801
212 5W75 GDP 5.69801
213 5M04 GDP 5.69801
214 2RCN GDP 5.69801
215 4ZG4 VO4 ADP 5.69801
216 1YQT ADP 5.98291
217 1OYY AGS 5.98291
218 1SVM ATP 5.98291
219 5LTJ ADP 5.98291
220 3GJ3 GDP 6.06061
221 3IIJ ADP 6.11111
222 3GJ7 GDP 6.12245
223 3COB ADP 6.26781
224 1KK1 GNP 6.26781
225 5LV1 78T 6.26781
226 4IEE AGS 6.26781
227 2ZR9 DTP 6.30372
228 1TU3 GNP 6.32911
229 4QM7 GTP 6.43275
230 3LRE ADP 6.55271
231 4IHQ ADP 6.55271
232 3AB4 THR 6.55271
233 4AG9 COA 6.66667
234 1RE0 GDP 6.78733
235 1D5C GDP 6.79012
236 2RI1 GLP 6.80851
237 5YV5 ADP 6.83761
238 5GOE GDP 6.83761
239 5KUT GDP 6.87831
240 1ZD9 GDP 6.91489
241 2KIN ADP 7
242 2HPL ASP ASP LEU TYR GLY 7
243 4V03 ADP 7.00389
244 4PC3 GDP 7.0922
245 6A20 ADP 7.12251
246 5ZBR ANP 7.12251
247 1YZG GDP 7.26257
248 1Z0F GDP 7.26257
249 1MKY GDP 7.40741
250 4WBD CIT 7.40741
251 4PJ3 ANP 7.40741
252 5WIU AQD 7.40741
253 2CDN ADP 7.46269
254 1ZJ6 G3D 7.48663
255 2QN6 GDP 7.52688
256 1F6B GDP 7.57576
257 1NJF AGS 7.6
258 1GXU 2HP 7.69231
259 1SVI GDP 7.69231
260 5XDR ADP 7.69231
261 3DKP ADP 7.7551
262 1DS6 GDP 7.77778
263 5NM7 GLY 7.89474
264 1JI0 ATP 7.91667
265 1W5T ADP 7.97721
266 1W5T ANP 7.97721
267 2WJG GDP 7.97872
268 1A99 PUT 8.13953
269 4A4Z ANP 8.26211
270 3VX3 ADP 8.87097
271 2W58 ADP 8.91089
272 3BOS CDP 9.09091
273 1SQ5 ADP 9.09091
274 5Y6N ADP 9.11681
275 6B8B ADP 9.11681
276 5O74 GDP 9.13706
277 4TTQ ATP 9.30233
278 1G6H ADP 9.33852
279 4AG5 ADP 9.40171
280 1G8S MET 9.56522
281 4XTR ADP 9.67742
282 4XVU ATP 9.67742
283 4XTR ATP 9.67742
284 1I4D GDP 9.89583
285 2GOO NDG 9.92366
286 4PX9 ADP 9.93151
287 3IUY AMP 10.0877
288 1SNN 5RP 10.1322
289 5IRC GDP 10.2151
290 2Y65 ADP 10.2564
291 5N69 ADP 10.2564
292 5HPY GDP 10.2703
293 4D0N GDP 10.2703
294 1G4U GDP 10.3261
295 3O01 DXC 10.3896
296 1HE1 GDP 10.7955
297 3B5J 12D 11.1111
298 3FWY ADP 11.1465
299 4CVN ADP 11.5183
300 2VWT PYR 11.6105
301 2CK3 ANP 11.6438
302 2V7Q ATP 11.6438
303 2V7Q ADP 11.6438
304 3AB3 GDP 11.7886
305 1OW3 GDP 11.9171
306 1ZRH A3P 12.0438
307 5BQ5 ADP BEF 12.1693
308 6BVK EAV 12.5749
309 6BVM EBV 12.5749
310 1B7T ADP 12.8205
311 6C90 ADP 13.4615
312 4KFU ACP 13.6792
313 4R2I ANP 13.8095
314 4NON GDP 14.2308
315 1KK8 BEF ADP 14.3885
316 3Q9L ATP 15
317 1HTW ADP 15.8228
318 3KC1 2T6 16.0237
319 3W5J GDP 17.6471
320 1FP6 ADP 17.9931
321 5H67 ATP 18.75
322 5MVR ADP 19.7531
323 3LXR GDP 19.7917
324 4DID GDP 20.2073
325 1GRN GDP 20.4188
326 2NGR GDP 20.4188
327 4URX FK1 22.1622
328 3T5G GDP 22.3684
329 5OEC GDP 22.8426
330 3MGB PAP 24.4514
331 1UO5 PIH 26.4706
332 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 26.5306
333 3ZIA ADP 28.5714
334 3ZIA ATP 28.5714
335 5YT0 GDP 28.5714
336 3H4S ADP 28.8889
337 1J99 AND 34.8123
338 5MEX PAP 43.4783
339 5MEX SZZ 43.4783
340 3QVV A3P 43.7288
341 3QVV 3QV 43.7288
342 2Z5F A3P 44.9664
343 2GWH A3P 47.3154
344 2GWH PCI 47.3154
345 2ZPT A3P 49.4915
Pocket No.: 2; Query (leader) PDB : 1X8J; Ligand: A3P; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 1x8j.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 2IGA XX3 1.7094
2 5HCN GCP 3.44828
3 2A5J GDP 3.66492
4 4P4T GDP 3.7037
5 6A0S NDP 3.9886
6 3GJ5 GDP 4.0724
7 1NC4 DOF 4.18605
8 1MR3 G3D 4.41989
9 5JDI 6JO 4.8433
10 5JCJ 6JM 4.8433
11 1VG1 GDP 5.40541
12 3KJI ADP 9.05512
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