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Receptor
PDB id Resolution Class Description Source Keywords
2OQ2 2.1 Å EC: 1.8.4.8 CRYSTAL STRUCTURE OF YEAST PAPS REDUCTASE WITH PAP, A PRODUC SACCHAROMYCES CEREVISIAE SULFATE REDUCTION PAPS REDUCTASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE 3'-PHOSPHOADENOSINE-5'-PHOSPHOSULFATE REDUCTASE COM WITH ADENOSINE 3',5'-BISPHOSPHATE. BIOCHEMISTRY V. 47 12777 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P A:999;
B:999;
C:999;
D:999;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OQ2 2.1 Å EC: 1.8.4.8 CRYSTAL STRUCTURE OF YEAST PAPS REDUCTASE WITH PAP, A PRODUC SACCHAROMYCES CEREVISIAE SULFATE REDUCTION PAPS REDUCTASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE 3'-PHOSPHOADENOSINE-5'-PHOSPHOSULFATE REDUCTASE COM WITH ADENOSINE 3',5'-BISPHOSPHATE. BIOCHEMISTRY V. 47 12777 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2OQ2 - A3P 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 1 families.
1 2OQ2 - A3P 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 1 families.
1 2OQ2 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OQ2; Ligand: A3P; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 2oq2.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5XDT MB3 None
2 2NLQ GLY None
3 2FKA BEF None
4 1C4Q GLA GAL BGC None
5 3TW1 AHN 1.68776
6 1GPM AMP 1.91571
7 2YG3 FAD 1.91571
8 1RYI GOA 1.91571
9 1RYI FAD 1.91571
10 6CEP NAD 1.91571
11 4CNG SAH 1.96078
12 5NM7 GLY 2.29885
13 1G51 AMP 2.29885
14 6MJF SAH 2.29885
15 2AWN ADP 2.29885
16 5N0O SAM 2.29885
17 2VTD LKM 2.29885
18 1FEC FAD 2.29885
19 1SBR VIB 2.5
20 5F6U 5VK 2.54777
21 1O97 FAD 2.68199
22 1O97 AMP 2.68199
23 5FJN BE2 2.68199
24 5FJN FAD 2.68199
25 3WGT QSC 2.68199
26 3WGT FAD 2.68199
27 1GPE FAD 2.68199
28 3UOY FAD 2.68199
29 3UOY NAP 2.68199
30 3S5W NAP 2.68199
31 5AHW CMP 2.72109
32 3AIA SAM 2.8436
33 3BBH SFG 2.92683
34 2JBM SRT 3.06513
35 4XFR CIT 3.06513
36 2J0B UDP 3.06513
37 5G6U TRP 3.06513
38 5KJW 53C 3.06513
39 5L2R MLA 3.06513
40 1Q9I FAD 3.06513
41 1Q9I TEO 3.06513
42 2Q0L NAP 3.06513
43 6B5G NAD 3.06513
44 2YOA SEP 3.28947
45 3RK1 ATP 3.37553
46 1MVQ MMA 3.38983
47 4L2I NAD 3.44828
48 4L2I FAD 3.44828
49 3ZF8 GDP 3.44828
50 3AXB FAD 3.44828
51 3AXB PRO 3.44828
52 2XMY CDK 3.44828
53 2E5V FAD 3.44828
54 2RHO GDP 3.44828
55 2RGH FAD 3.44828
56 1EFV AMP 3.52941
57 1EFV FAD 3.52941
58 6EMU SAM 3.5533
59 2WTN FER 3.58566
60 1MJH ATP 3.7037
61 6GNO XDI 3.7037
62 1KOR ANP 3.83142
63 1KOR ARG 3.83142
64 1KOR SIN 3.83142
65 1VMK GUN 3.83142
66 1KYQ NAD 3.83142
67 3HGM ATP 4.08163
68 3ITJ CIT 4.14201
69 5O3Q CMP 4.16667
70 4JCA CIT 4.19162
71 5LY1 PPI 4.21456
72 2YBQ UP2 4.21456
73 2FJK 13P 4.21456
74 1HE1 AF3 4.44444
75 2YY8 SAM 4.47761
76 1O94 AMP 4.5977
77 3GYQ SAM 4.5977
78 4ARE FLC 4.5977
79 2PZ8 APC 4.5977
80 3O9Z NAD 4.5977
81 3O9Z AKG 4.5977
82 4E13 NAD 4.5977
83 2IVD FAD 4.5977
84 1JJ7 ADP 4.61538
85 1ZTH ADP 4.65116
86 2Y9G LAT 4.66667
87 2Y9G LBT 4.66667
88 3KTA AP5 4.94506
89 1KQP ADJ 4.98084
90 1P4V GLY 4.98084
91 5I39 FAD 4.98084
92 3KC1 2T6 4.98084
93 3AD8 PYC 5.05051
94 3AD8 FAD 5.05051
95 4R2M ANP 5.06329
96 5A96 GTP 5.22088
97 6B2M COA 5.36398
98 1Q19 APC 5.36398
99 4CNE SAH 5.36398
100 4ZVV GN0 5.36398
101 4ZVV NAD 5.36398
102 5ZYN FAD 5.36398
103 3VPH OXM 5.36398
104 3VPH NAD 5.36398
105 1REO FAD 5.36398
106 5H5O PCG 5.42636
107 2YVJ NAI 5.50459
108 4JWF SAH 5.52995
109 1MXI SAH 5.625
110 5Z5I XYP 5.70902
111 5TS5 FAD 5.74713
112 6FA4 D1W 5.78035
113 4USI AKG 5.84416
114 2J9C ATP 5.88235
115 2J9D ADP 5.88235
116 2J9D AMP 5.88235
117 1XNG ATP 6.13027
118 5A7Y SAH 6.13027
119 1CT9 AMP 6.13027
120 1FQK ALF 6.13027
121 3K5I AIR 6.13027
122 4XWT U5P 6.13027
123 4JWH SAH 6.13027
124 3K5I ADP 6.13027
125 5YB7 FAD 6.13027
126 5YB7 ORN 6.13027
127 5Z2F NAP 6.13027
128 5LDQ NAP 6.21469
129 3R51 MMA 6.25
130 4JWJ SAH 6.43564
131 3ZNN FAD 6.51341
132 3ZNN 4WL 6.51341
133 1H82 FAD 6.51341
134 1H82 GZZ 6.51341
135 2FMD MAN MAN 6.66667
136 1JGT APC 6.89655
137 1JGT CMA 6.89655
138 2GMH FAD 6.89655
139 5H68 AGS 6.89655
140 3NK7 SAM 6.89655
141 1VKF CIT 6.91489
142 4O48 ASP 6.92771
143 1G8S MET 6.95652
144 1FQJ ALF 7.14286
145 3HAD NAD 7.27969
146 1QO8 FAD 7.66284
147 1A5Z NAD 7.66284
148 5KR7 6X9 8.04598
149 4KBA 1QM 8.04598
150 4UP3 NDP 8.04598
151 1C0I BE2 8.42912
152 1C0I FAD 8.42912
153 3SAO DBH 8.75
154 2GAG FOA 8.81226
155 2GAG FAD 8.81226
156 6C8X BVR 9.09091
157 2WSI FAD 9.1954
158 1V2X SAM 9.27835
159 3QF7 ANP 10
160 2BOS GLA GAL GLC NBU 10.2941
161 2BOS GLA GAL GLC 10.2941
162 4F8L AES 10.3448
163 1K97 ASP 10.728
164 1K97 CIR 10.728
165 3FIU AMP 11.6466
166 5TWJ SAM 11.7284
167 2WQ4 SFU 12.1795
168 3QPB URA 12.2605
169 5H67 ATP 12.5
170 4JAL SAH 12.5749
171 1D4D FAD 13.7931
172 1JNR FAD 15.3257
173 5G3U FDA 15.7088
174 5G3U ITW 15.7088
175 2C5S AMP 16.8582
176 1S4P GDP 17.2414
177 3G6K POP 18.0077
178 3G6K FAD 18.0077
179 4YSX FAD 21.2766
180 3IWD M2T 40.3226
Pocket No.: 2; Query (leader) PDB : 2OQ2; Ligand: A3P; Similar sites found with APoc: 33
This union binding pocket(no: 2) in the query (biounit: 2oq2.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2UZH IPE 1.21212
2 5DZT AMP 2.29885
3 1ELI PYC 2.29885
4 2WLT ASP 2.29885
5 4LY9 S6P 2.29885
6 4LY9 1YY 2.29885
7 4FXQ G9L 2.68199
8 3X0V FAD 2.68199
9 4FK7 P34 3.05677
10 5IFK HPA 3.06513
11 5ETJ IM5 3.08642
12 2YRX AMP 3.44828
13 2JK0 ASP 3.44828
14 4BHL ARG 3.44828
15 3X01 AMP 3.83142
16 1RM0 NAI 3.83142
17 4K91 SIN 4.21456
18 1B8O IMH 4.21456
19 3UNG ADP 4.21456
20 2WPF WPF 4.21456
21 1G2O IMH 4.21456
22 5TV6 PML 4.58333
23 2W5P CL8 4.69799
24 5OCG 9R5 5.29101
25 2NW9 FT6 5.36398
26 4YJK URA 6.34921
27 1T9D PYD 6.51341
28 5A89 FMN 7.05128
29 3OG9 MLT 8.13397
30 4PL9 ADP 9.28962
31 2P4S DIH 9.96169
32 5A07 GDP 10.3448
33 2BHZ MAL 17.2414
Pocket No.: 3; Query (leader) PDB : 2OQ2; Ligand: A3P; Similar sites found with APoc: 66
This union binding pocket(no: 3) in the query (biounit: 2oq2.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3RF4 FUN None
2 4WG0 CHD None
3 2JE7 XMM 1.67364
4 1D8C GLV 1.91571
5 1GOJ ADP 2.29885
6 2CBZ ATP 2.53165
7 4IV9 FAD 2.68199
8 1LDN NAD 2.68199
9 2PZE ATP 3.05677
10 4RSL FAD 3.06513
11 2BOY BHO 3.14961
12 1K7U NAG NAG 3.22581
13 3N9R TD3 3.44828
14 3ICS ADP 3.44828
15 1S9A BEZ 3.50195
16 3IJH KO2 3.53982
17 4UDK BMA 3.83142
18 5LKC FUC GLA A2G 3.83142
19 3E3U NVC 4.06091
20 4K7O EKZ 4.16667
21 6F7L FAD 4.21456
22 2JBH 5GP 4.44444
23 2YY8 MTA 4.47761
24 1RZM E4P 4.5977
25 1T5C ADP 4.98084
26 1BG2 ADP 4.98084
27 2Y65 ADP 4.98084
28 1TV5 ORO 5.36398
29 1Q19 SSC 5.36398
30 3NYC FAD 5.36398
31 3NYC IAR 5.36398
32 9LDB NAD 5.36398
33 2WT9 NIO 5.53191
34 1LSH PLD 5.74713
35 2V5K OXM 5.74713
36 1N62 MCN 6.0241
37 4GNC ASO 6.13027
38 1HYH NAD 6.13027
39 1RPN NDP 6.13027
40 4AF5 CIT 6.84211
41 6GMR F4K 7.2165
42 6CS9 PIO 7.31707
43 5OD2 5ID 7.66284
44 2VVG ADP 7.66284
45 1G6H ADP 7.7821
46 3NFD COA 7.84314
47 2VWT PYR 8.04598
48 5KTI TRE 6X6 8.05369
49 3QH2 3NM 8.59729
50 2R4J FAD 9.1954
51 2R4J 13P 9.1954
52 4MP8 MLI 9.1954
53 4MP8 NAD 9.1954
54 5CIC 51R 9.1954
55 5MBX SP5 9.1954
56 5MBX FAD 9.1954
57 5Y02 MXN 9.34579
58 5M67 NAD 9.96169
59 1Q7L GLY 10.101
60 3FIU POP 11.6466
61 4X9M FAD 12.6437
62 5ODQ FAD 13.41
63 5ZBC FAD 15.3257
64 1L0I PSR 15.3846
65 6E2B PT7 15.7895
66 4IEN GDP 15.9509
Pocket No.: 4; Query (leader) PDB : 2OQ2; Ligand: A3P; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 2oq2.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 6F3G CJN 2.68199
2 4OSP 2V4 2.68199
3 4IV9 TSR 2.68199
4 2O4C NAD 3.06513
5 4K6B GLU 3.10559
6 5C1P ADP 3.83142
7 3OND ADN 3.83142
8 3OND NAD 3.83142
9 4M7T 25W 3.83142
10 5JJU AMP 4.5977
11 1V8B NAD 4.5977
12 1F52 ADP 6.51341
13 1P7T PYR 6.89655
14 4FMJ SIA GAL 8.04598
15 5M67 ADE 9.96169
16 5M67 3D1 9.96169
17 2BE5 TGT 10.101
18 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 10.5263
19 1PG4 PRX 11.8774
20 1PG4 COA 11.8774
21 6F3N NAD 13.7931
22 6F3M NAD 13.7931
23 1WZ1 DNS 15.9292
24 1XVB BHL 16.4706
25 2XG5 EC5 20.1835
26 2XG5 EC2 20.1835
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