Receptor
PDB id Resolution Class Description Source Keywords
3IUY 2.4 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF DDX53 DEAD-BOX DOMAIN HOMO SAPIENS REC-A-LIKE DEAD-BOX STRUCTURAL GENOMICS STRUCTURAL GENOMICONSORTIUM SGC ATP-BINDING HELICASE HYDROLASE NUCLEOTIBINDING NUCLEUS RNA-BINDING
Ref.: COMPARATIVE STRUCTURAL ANALYSIS OF HUMAN DEAD-BOX R HELICASES. PLOS ONE V. 5 12791 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:160;
B:160;
Valid;
Valid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
CL A:1;
B:1;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IUY 2.4 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF DDX53 DEAD-BOX DOMAIN HOMO SAPIENS REC-A-LIKE DEAD-BOX STRUCTURAL GENOMICS STRUCTURAL GENOMICONSORTIUM SGC ATP-BINDING HELICASE HYDROLASE NUCLEOTIBINDING NUCLEUS RNA-BINDING
Ref.: COMPARATIVE STRUCTURAL ANALYSIS OF HUMAN DEAD-BOX R HELICASES. PLOS ONE V. 5 12791 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3IUY - AMP C10 H14 N5 O7 P 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 25 families.
1 3IUY - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 4KBF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3MWL Kd = 579 uM 8OX C10 H13 N5 O5 c1nc(c2c(n....
3 2GXS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2GXQ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 3MWK - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
6 3NBF - 8OP C10 H14 N5 O8 P c1nc(c2c(n....
7 3IUY - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IUY; Ligand: AMP; Similar sites found: 273
This union binding pocket(no: 1) in the query (biounit: 3iuy.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GCN GDP 0.001759 0.45228 None
2 1KY3 GDP 0.001793 0.44356 None
3 4BQS ADP 0.001775 0.43629 None
4 1G3Q ADP 0.001227 0.43581 None
5 2KIN ADP 0.00021 0.42994 None
6 3R96 ACO 0.01451 0.42672 None
7 3R96 AMP 0.01451 0.42672 None
8 3B5J 12D 0.008674 0.4133 None
9 2GCO GNP 0.001828 0.40279 None
10 1VG8 GNP 0.007565 0.42776 1.44928
11 3W5J GDP 0.001864 0.44893 1.47059
12 1VG1 GDP 0.004346 0.42064 1.62162
13 5HCN GCP 0.001091 0.43695 1.75439
14 1JI0 ATP 0.006924 0.41813 1.75439
15 2OZE AGS 0.001121 0.40833 1.75439
16 3RAB GNP 0.01342 0.41389 1.77515
17 3GJ0 GDP 0.001869 0.43525 1.80995
18 3GJ4 GDP 0.002235 0.43162 1.80995
19 3GJ8 GDP 0.002059 0.42485 1.80995
20 4U00 ADP 0.000216 0.49094 2.19298
21 2OBM ADP 0.0005702 0.4778 2.19298
22 1XTQ GDP 0.006145 0.4275 2.25989
23 5BXQ GDP 0.00229 0.42276 2.3622
24 4BAS GNP 0.003598 0.43712 2.51256
25 2OG2 MLI 0.000009511 0.58478 2.63158
26 3B9Q MLI 0.00003086 0.55066 2.63158
27 4NON GDP 0.001744 0.43665 2.63158
28 1ION ADP 0.001148 0.42909 2.63158
29 4D0N GDP 0.003945 0.4201 2.63158
30 4B47 GDP 0.009466 0.40672 2.63158
31 5G41 AP5 0.03532 0.41184 2.69058
32 3AQ4 GDP 0.005894 0.40492 2.71739
33 1Z0F GDP 0.004613 0.41019 2.7933
34 3LN9 FLC 0.01455 0.42299 2.8777
35 2X7I CIT 0.002288 0.43114 3.07018
36 4ITM ATP 0.00825 0.42439 3.07018
37 3NHB ADP 0.005458 0.42405 3.07018
38 2BIF ANP 0.01507 0.4205 3.07018
39 2BIF SIN 0.02253 0.4205 3.07018
40 5M04 GDP 0.006126 0.4158 3.07018
41 4PFO ADP 0.01468 0.41195 3.07018
42 4WOP CTP 0.0008692 0.41085 3.07018
43 1BG2 ADP 0.0009342 0.40821 3.07018
44 4R43 GDP 0.008559 0.40437 3.07018
45 1SVI GDP 0.004958 0.42021 3.07692
46 1RE0 GDP 0.005568 0.40793 3.16742
47 1GXU 2HP 0.000002809 0.60275 3.2967
48 1KO8 6PG 0.001252 0.45544 3.42857
49 3A1S GDP 0.005813 0.40566 3.48837
50 3UIE ANP 0.002472 0.41324 3.5
51 2DPY ADP 0.0005651 0.47173 3.50877
52 4ZNL BEF ADP 0.0003491 0.45972 3.50877
53 1J99 AND 0.004261 0.44846 3.50877
54 2ZPT A3P 0.01481 0.43825 3.50877
55 2O0J ADP 0.0008355 0.43336 3.50877
56 4R98 GNH 0.002227 0.43169 3.50877
57 4PJ3 ANP 0.0007367 0.42856 3.50877
58 4V03 ADP 0.002426 0.41635 3.50877
59 3EZ2 ADP 0.00682 0.41356 3.50877
60 4JLV ADP 0.004816 0.40966 3.50877
61 4LPS GDP 0.006446 0.40368 3.50877
62 2WIC GNP 0.006311 0.40307 3.50877
63 1RRC ADP 0.002046 0.40089 3.50877
64 2WJH FLC 0.002696 0.43282 3.61446
65 2WJH GDP 0.002494 0.43198 3.61446
66 4MKF AP5 0.04783 0.40143 3.68664
67 4DKX GDP 0.008062 0.40559 3.7037
68 2WJG GDP 0.006473 0.41005 3.7234
69 2PEZ DAT 0.01456 0.42007 3.91061
70 5MZN ADP 0.0003961 0.47932 3.94737
71 3IO3 ADP 0.000605 0.47066 3.94737
72 4PPF FLC 0.0007539 0.46324 3.94737
73 5I34 GDP 0.0007486 0.44355 3.94737
74 3H4S ADP 0.000331 0.4364 3.94737
75 1XKV ATP 0.0009216 0.43477 3.94737
76 5CK5 GDP 0.003141 0.42972 3.94737
77 1NJF ADP 0.004368 0.42926 3.94737
78 4FRZ ADP 0.001037 0.427 3.94737
79 1NJF AGS 0.01174 0.41203 3.94737
80 2ZR9 DTP 0.00663 0.40957 3.94737
81 1SKQ GDP 0.009041 0.40768 3.94737
82 4J0Q GDP 0.00984 0.40591 3.94737
83 3Q9L ATP 0.002467 0.40382 3.94737
84 5L3R GCP 0.000342 0.40209 3.94737
85 4XTR ADP 0.002285 0.40012 3.94737
86 2EW1 GNP 0.004486 0.4342 3.9801
87 1YAG ATP 0.01676 0.4076 4
88 1OW3 GDP 0.01323 0.4041 4.13223
89 4E03 ADP 0.0001258 0.47777 4.36893
90 3BFV ADP 0.0002113 0.47939 4.38596
91 4LC1 GDP 0.001666 0.43758 4.38596
92 3MD0 GDP 0.003418 0.42796 4.38596
93 3NOJ PYR 0.01193 0.42429 4.38596
94 3GJX GTP 0.0106 0.42045 4.38596
95 4H1V GNP 0.00127 0.41408 4.38596
96 1DAR GDP 0.005351 0.41391 4.48625
97 1LVG ADP 0.0008311 0.43795 4.54545
98 4YLG GDP 0.001481 0.41082 4.62428
99 3LXR GDP 0.00496 0.40293 4.6875
100 4TMK T5A 0.01333 0.42322 4.69484
101 4KFU ACP 0.002613 0.44145 4.71698
102 3Q85 GNP 0.004048 0.41958 4.73373
103 2UZI GTP 0.01227 0.41583 4.81928
104 3E70 GDP 0.00006961 0.49036 4.82456
105 2D2F ADP 0.0002413 0.48066 4.82456
106 4AG5 ADP 0.0005252 0.47387 4.82456
107 2CBZ ATP 0.002267 0.44333 4.82456
108 4LYA ATP 0.003487 0.41602 4.82456
109 2CE7 ADP 0.006295 0.41537 4.82456
110 3W8X FAD 0.03721 0.41143 4.82456
111 2A9K GDP 0.005771 0.42144 4.93274
112 1VHT BA3 0.0007343 0.43394 5.04587
113 1HTW ADP 0.00702 0.4084 5.06329
114 4LX0 BEF GDP 0.005911 0.4331 5.08475
115 3H86 AP5 0.003524 0.45391 5.20833
116 2CJW GDP 0.004399 0.41789 5.20833
117 2HV8 GTP 0.005762 0.43212 5.23256
118 2XT3 ADP 0.0004243 0.47615 5.26316
119 3A4M ADP 0.0008149 0.46391 5.26316
120 3CPJ GDP 0.002056 0.44073 5.26316
121 3CNL GNP 0.00455 0.422 5.26316
122 3FWY ADP 0.0009024 0.41886 5.26316
123 4C4P GNP 0.004622 0.43841 5.60748
124 5H56 ADP 0.006541 0.43515 5.64103
125 5H56 TYD 0.006541 0.43515 5.64103
126 5L3V GDP 0.0003356 0.45056 5.70175
127 1VG9 GDP 0.001164 0.44754 5.70175
128 1VG0 GDP 0.002369 0.43779 5.70175
129 1OXV ANP 0.004132 0.424 5.70175
130 2WHX ADP 0.006304 0.4232 5.70175
131 2VVG ADP 0.001025 0.4076 5.70175
132 2HT6 GDP 0.005472 0.40851 5.74713
133 2X77 GDP 0.005164 0.40741 5.82011
134 3GJ5 GDP 0.002524 0.42084 5.88235
135 2J9C ATP 0.0151 0.41279 5.88235
136 2IYL GDP 0.0002373 0.47704 5.98592
137 3Q72 GNP 0.005432 0.40822 6.0241
138 3GJ3 GDP 0.00233 0.43077 6.06061
139 1MR3 G3D 0.002058 0.4359 6.07735
140 3KJI ADP 0.0002361 0.48549 6.14035
141 2FSH ANP 0.0004203 0.45866 6.14035
142 1YQT ADP 0.001767 0.44867 6.14035
143 3VX3 ADP 0.0002911 0.4311 6.14035
144 3U6B GDP 0.005346 0.41864 6.14035
145 2Q2Y MKR 0.02995 0.41032 6.14035
146 2Q2Y ADP 0.03633 0.40685 6.14035
147 3WXM GTP 0.0206 0.40462 6.14035
148 1R0X ATP 0.005683 0.40428 6.14035
149 1U0J ADP 0.01078 0.40402 6.14035
150 4PC3 GDP 0.005319 0.4012 6.14035
151 1D8T GDP 0.01001 0.40118 6.14035
152 4QM7 GTP 0.00224 0.43158 6.43275
153 1GOJ ADP 0.001147 0.45718 6.57895
154 4R2I ANP 0.00128 0.45425 6.57895
155 4RZ3 ADP 0.001244 0.41102 6.57895
156 1V8K ANP 0.006343 0.41046 6.57895
157 3QF7 ANP 0.01255 0.40709 6.57895
158 3PQC GDP 0.005471 0.40025 6.66667
159 4DID GDP 0.0004708 0.4549 6.73575
160 4U5X GNP 0.001981 0.40082 6.74157
161 1DS6 GDP 0.001293 0.44271 6.77083
162 1I4D GDP 0.002284 0.43634 6.77083
163 1A4R GNH 0.000824 0.42197 6.80628
164 4ITR GDP 0.0007513 0.41802 6.80628
165 1A4R GDP 0.00195 0.40466 6.80628
166 2NGR GDP 0.007472 0.4017 6.80628
167 2WMO GTP 0.005001 0.40321 6.84211
168 1B0U ATP 0.002809 0.40495 6.87023
169 1AQU A3P 0.001024 0.45746 7.01754
170 4XGU ADP 0.0002511 0.43877 7.01754
171 1G6O ADP 0.0007635 0.4362 7.01754
172 4WZ6 ATP 0.007688 0.41748 7.01754
173 4YC7 GNP 0.01005 0.41534 7.18232
174 3T5G GDP 0.006786 0.41382 7.23684
175 1JJV ATP 0.0001341 0.50688 7.28155
176 4CVN ADP 0.001708 0.44809 7.32984
177 2A5J GDP 0.003339 0.41103 7.32984
178 3TK1 GDP 0.0006182 0.46981 7.45614
179 2ZPA ADP 0.0009606 0.46098 7.45614
180 1F9V ADP 0.0002917 0.4506 7.45614
181 1QHH ATP 0.0009978 0.43892 7.45614
182 3ZFD ANP 0.004815 0.42089 7.45614
183 5GRF ADP 0.01227 0.4187 7.45614
184 4HSE ADP 0.00312 0.41858 7.45614
185 3CV2 OXL 0.006331 0.41788 7.45614
186 1QHG ATP 0.001362 0.41767 7.45614
187 3AB3 GDP 0.01122 0.41125 7.45614
188 1ZCB GDP 0.01566 0.41056 7.45614
189 4KAX GTP 0.009204 0.4172 7.69231
190 3DC4 ADP 0.004161 0.42904 7.89474
191 4YMU ATP 0.003969 0.42485 7.89474
192 1D8C GLV 0.01249 0.42063 7.89474
193 5VGR GDP 0.001026 0.41854 7.89474
194 1P7T PYR 0.01297 0.41719 7.89474
195 1SVK ALF GDP 0.01498 0.41699 7.89474
196 2ZFI ADP 0.00508 0.41497 7.89474
197 1W0J ADP BEF 0.01225 0.40759 7.89474
198 1W0J ADP 0.01131 0.40539 7.89474
199 3N5C GDP 0.005969 0.4117 8.02469
200 1Z0A GDP 0.004837 0.40186 8.04598
201 2V7Q ADP 0.01025 0.40071 8.21918
202 5TSH ADP 0.0001093 0.511 8.33333
203 2C04 GCP 0.0000303 0.47269 8.33333
204 1G6H ADP 0.0008511 0.45724 8.33333
205 5TSH ANP 0.0008629 0.4509 8.33333
206 1T5C ADP 0.001521 0.43972 8.33333
207 5GOE GDP 0.002245 0.41578 8.33333
208 3EC1 GDP 0.0005118 0.4643 8.77193
209 2D7D ADP 0.0009507 0.44894 8.77193
210 4IEE AGS 0.005347 0.41864 8.77193
211 1JWY ADP 0.004328 0.4121 8.77193
212 1WF3 GNP 0.01876 0.40806 8.77193
213 1MKY GDP 0.008468 0.40459 8.77193
214 1JWY GDP 0.003772 0.40004 8.77193
215 4XSH GSP 0.001967 0.40135 9.13242
216 1NST A3P 0.001252 0.45327 9.21053
217 3COB ADP 0.0004951 0.4307 9.21053
218 2FJU GSP 0.006175 0.42388 9.21053
219 1GWN GTP 0.01744 0.40191 9.26829
220 3CH5 GDP 0.002786 0.41991 9.61539
221 5LB3 ADP 0.00001127 0.54677 9.64912
222 3DEF GDP 0.002165 0.40942 9.64912
223 2J0V GDP 0.001081 0.44906 9.90566
224 1M7G AV2 0.003179 0.42946 9.95261
225 5KUT GDP 0.004639 0.4193 10.0529
226 2NCD ADP 0.0007579 0.46691 10.0877
227 4DCT GDP 0.006402 0.40346 10.0877
228 3GJ7 GDP 0.002263 0.43137 10.2041
229 5FTB ANP 0.00197 0.41828 10.5263
230 1M2O GNP 0.019 0.40637 10.5263
231 3IIJ ADP 0.001743 0.43666 10.5556
232 3P4X ADP 0.00004699 0.5024 10.9649
233 1G7C 5GP 0.0007661 0.45331 10.9649
234 2KCE D16 0.02819 0.41535 10.9649
235 3T1O GDP 0.007516 0.41172 11.1111
236 3LRE ADP 0.0004668 0.46814 11.8421
237 4IHQ ADP 0.001378 0.44686 11.8421
238 2QTV GNP 0.01111 0.41645 11.976
239 2EFE GNH 0.001617 0.41461 12.1547
240 2AWN ADP 0.00002457 0.5348 12.2807
241 5UWT GNP 0.007072 0.42922 12.2807
242 3WYF GTP 0.007764 0.42865 12.2807
243 3M1I GTP 0.01034 0.42101 12.2807
244 2W58 ADP 0.0006415 0.46949 12.3762
245 1Y63 ADP 0.001496 0.43975 12.5
246 1TQ4 GDP 0.0007152 0.40922 12.7193
247 3WYA GDP 0.009867 0.40148 12.7193
248 1ZJ6 G3D 0.006328 0.4039 12.8342
249 2QN6 GDP 0.004876 0.42056 12.9032
250 1YZG GDP 0.006125 0.40385 13.4078
251 1JJ7 ADP 0.001181 0.45776 13.5965
252 4YDS ATP 0.001509 0.45073 14.0351
253 1OIV GDP 0.002502 0.45005 14.1361
254 1KSH GDP 0.003993 0.43307 15.0538
255 4GOJ GNP 0.006839 0.42351 15.3439
256 4TTQ ATP 0.002096 0.43292 15.3488
257 4YS0 ADP 0.0001659 0.44527 15.3509
258 3DZD ADP 0.00177 0.41129 15.3509
259 1FZQ GDP 0.004893 0.41573 16.0221
260 3TNF GNP 0.005183 0.43742 16.2281
261 3SFV GDP 0.007839 0.41884 16.2281
262 5L3W GDP 0.0003495 0.45095 16.6667
263 1P9B GDP 0.001487 0.40586 17.5439
264 4WZA ACP 0.002931 0.47984 18.8596
265 4WZA ADP 0.002931 0.47984 18.8596
266 1FP6 ADP 0.002127 0.41285 18.8596
267 3TBK ANP 0.0005628 0.47181 25.4386
268 4QOS ADP 0.0008615 0.43318 25.8772
269 5IRR GSP 0.001153 0.40183 28.0702
270 2XZ9 PYR 0.01448 0.40339 28.5088
271 2Y65 ADP 0.001387 0.41321 30
272 4A4Z ANP 0.00008502 0.49781 33.3333
273 5XDR ADP 0.001988 0.42648 34.6491
Pocket No.: 2; Query (leader) PDB : 3IUY; Ligand: AMP; Similar sites found: 64
This union binding pocket(no: 2) in the query (biounit: 3iuy.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KO0 TFP 0.005737 0.4259 None
2 5MVR ADP 0.007581 0.40926 1.85185
3 3EWA ANP 0.003062 0.41753 2.19298
4 1G16 GDP 0.0009711 0.40328 2.35294
5 1YRB GDP 0.002517 0.41174 2.63158
6 1XP8 AGS 0.01058 0.40678 2.63158
7 1OE0 TTP 0.02145 0.40004 2.63158
8 1S9D GDP 0.0044 0.41587 3.04878
9 2GDJ ANP 0.005082 0.41744 3.07018
10 3RC3 ANP 0.006272 0.41776 3.50877
11 1XMV ADP 0.004636 0.41482 3.50877
12 4FCW ADP 0.008607 0.40248 3.50877
13 1W0O SIA 0.01517 0.40612 3.94737
14 2QZ4 ADP 0.005553 0.40494 3.94737
15 3VMF GTP 0.02087 0.40061 3.94737
16 2VF7 ADP 0.004748 0.41435 4.38596
17 1G41 ADP 0.004901 0.40808 4.38596
18 1CR1 TTP 0.01264 0.40476 4.38596
19 2HF9 GSP 0.003262 0.40113 4.42478
20 1F6B GDP 0.006014 0.40964 4.54545
21 4MKG AP5 0.03091 0.40702 4.60829
22 5XCO GDP 0.002568 0.41181 4.67836
23 1WDT GTP 0.00131 0.40962 4.82456
24 3RWO GDP 0.003587 0.40471 4.86486
25 5JCZ GDP 0.001869 0.40609 5.02793
26 5IRN ADP 0.001837 0.4188 5.26316
27 2BCG GDP 0.001057 0.41571 5.26316
28 1FNN ADP 0.002439 0.40245 5.26316
29 3KTA AP5 0.005274 0.40007 5.49451
30 5N69 ADP 0.004011 0.40398 5.52764
31 2G77 GDP 0.002462 0.40766 5.55556
32 1B7T ADP 0.005211 0.40676 5.76923
33 5JBQ GDP 0.00543 0.41609 6.14035
34 4G5G GDP 0.005905 0.41437 6.14035
35 3U6K GDP 0.006218 0.41332 6.14035
36 1KK1 GNP 0.009235 0.40963 6.14035
37 1W7J ADP BEF 0.002791 0.4057 6.14035
38 4L80 OXL 0.02722 0.40185 6.14035
39 2HCJ GDP 0.006146 0.40003 6.14035
40 1RYH GNP 0.003606 0.41292 6.40394
41 1KK8 BEF ADP 0.003012 0.40421 6.47482
42 4P4T GDP 0.001259 0.41229 6.57895
43 2PZE ATP 0.0005783 0.40297 6.57895
44 1UKZ ADP 0.0275 0.4035 6.89655
45 3BOS CDP 0.005189 0.41701 7.01754
46 5GJC ATP 0.009765 0.40407 7.01754
47 5TB5 GDP 0.003362 0.41404 7.33333
48 5BQ5 ADP BEF 0.003789 0.41231 7.40741
49 5TAR GDP 0.003574 0.40601 7.43243
50 5IFS ADP 0.002141 0.42328 7.89474
51 5KSP GDP 0.008059 0.4038 7.89474
52 2V7Q ATP 0.003847 0.41158 8.21918
53 1SQ5 ADP 0.003916 0.41819 8.33333
54 1S8F GDP 0.002988 0.41574 8.47458
55 4D81 ADP 0.003575 0.40757 9.21053
56 3ZIA ATP 0.005807 0.41033 9.83607
57 1Z6T ADP 0.002775 0.40425 10.0877
58 1NY5 ADP 0.002564 0.40186 10.9649
59 3WY9 GDP 0.006147 0.41818 12.7193
60 5FG3 GDP 0.006449 0.41717 13.5965
61 4P3Y GDP 0.004778 0.4046 15.9341
62 5X40 ACP 0.01591 0.40331 17.5439
63 1IN4 ADP 0.002174 0.40299 25.4386
64 5LTJ ADP 0.003968 0.41793 27.6316
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