Receptor
PDB id Resolution Class Description Source Keywords
4YZC 2.49 Å EC: 2.7.11.13.1.26.- CRYSTAL STRUCTURE OF PIRE1ALPHA IN COMPLEX WITH STAUROSPORIN HOMO SAPIENS IRE1 INHIBITOR STAUROSPORINE COMPLEX TRANSFERASE-TRANSFEINHIBITOR COMPLEX
Ref.: LONG-RANGE INHIBITOR-INDUCED CONFORMATIONAL REGULAT HUMAN IRE1 ALPHA ENDORIBONUCLEASE ACTIVITY. MOL.PHARMACOL. V. 88 1011 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STU A:1001;
B:1001;
Valid;
Valid;
none;
none;
ic50 = 3 nM
466.531 C28 H26 N4 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YZC 2.49 Å EC: 2.7.11.13.1.26.- CRYSTAL STRUCTURE OF PIRE1ALPHA IN COMPLEX WITH STAUROSPORIN HOMO SAPIENS IRE1 INHIBITOR STAUROSPORINE COMPLEX TRANSFERASE-TRANSFEINHIBITOR COMPLEX
Ref.: LONG-RANGE INHIBITOR-INDUCED CONFORMATIONAL REGULAT HUMAN IRE1 ALPHA ENDORIBONUCLEASE ACTIVITY. MOL.PHARMACOL. V. 88 1011 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4YZ9 Ki = 200 nM 4K7 C24 H29 Cl2 N3 O Cc1ccc(cc1....
2 4YZC ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4YZ9 Ki = 200 nM 4K7 C24 H29 Cl2 N3 O Cc1ccc(cc1....
2 4YZC ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 4YZ9 Ki = 200 nM 4K7 C24 H29 Cl2 N3 O Cc1ccc(cc1....
2 4YZC ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
3 2RIO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 STU 1 1
2 UCN 0.666667 0.892308
3 KSA 0.535714 0.882353
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YZC; Ligand: STU; Similar sites found: 503
This union binding pocket(no: 1) in the query (biounit: 4yzc.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MN3 ACE PHE ALA TYR M3L SER NH2 0.02917 0.40205 None
2 4IMO PWZ 0.03618 0.41013 1.13636
3 3WVR AMP 0.0007264 0.48093 1.23457
4 1U6R IOM 0.004005 0.45918 1.31579
5 3S5W ONH 0.005042 0.46584 1.48148
6 2PUL ACP 0.00001958 0.55135 1.51134
7 5TDF ADP 0.01009 0.41128 1.54321
8 1EHI ADP 0.009543 0.41555 1.59151
9 5VZ0 ADP 0.0008012 0.47404 1.7284
10 4PU5 ANP 0.0005507 0.46035 1.7284
11 3VOT ADP 0.009446 0.43428 1.7284
12 5X7Q GLC GLC GLC GLC 0.03973 0.4005 1.7284
13 1NE6 SP1 0.01336 0.41531 1.76678
14 5OFW 9TW 0.04464 0.40707 1.79372
15 2D6M LBT 0.001912 0.45922 1.88679
16 2CFM AMP 0.001595 0.47397 1.97531
17 3UDZ ADP 0.000007128 0.42591 1.97531
18 4O4F ATP 0.002181 0.42793 2.01613
19 4O4F IHP 0.002496 0.42248 2.01613
20 2Q7D ANP 0.009099 0.40457 2.02312
21 4U0W 16G 0.01221 0.41382 2.03252
22 4QPW XYP XYP XYP 0.004932 0.41462 2.11268
23 3ORQ ADP 0.007798 0.41635 2.12202
24 5E89 TD2 0.01072 0.41993 2.15827
25 3VSV XYS 0.01584 0.4335 2.22222
26 4RQL SNE 0.04595 0.40697 2.22222
27 4FFG 0U8 0.02915 0.40674 2.22222
28 4D4U FUC NDG GAL FUC 0.04743 0.4039 2.22222
29 4R78 AMP 0.00007656 0.54862 2.26537
30 4RDL FUC GAL NDG FUC 0.003285 0.46937 2.27273
31 4ZS4 ATP 0.00001264 0.54807 2.28013
32 4RW3 IPD 0.02361 0.41761 2.31788
33 4GCZ FMN 0.01388 0.40802 2.33766
34 4FE2 ADP 0.007033 0.43659 2.35294
35 4FE2 AIR 0.00938 0.43443 2.35294
36 2HRL SIA GAL SIA BGC NGA CEQ 0.04064 0.40502 2.3622
37 2WKQ FMN 0.01344 0.40866 2.40964
38 4ANW O92 0.0001891 0.45145 2.46914
39 3DNT ATP 0.0009952 0.44563 2.46914
40 3TPV ADE 0.01054 0.41355 2.46914
41 4DFU QUE 0.01578 0.4313 2.48447
42 5C4L 4XR 0.0003507 0.41545 2.49221
43 3PDT ADP 0.000008245 0.57624 2.54545
44 3GL0 HXX 0.02005 0.41365 2.5788
45 5ENZ UDP 0.002793 0.444 2.5974
46 4U98 ACP 0.002415 0.45105 2.71605
47 5E58 CPZ 0.0269 0.40662 2.71605
48 3ZJX BOG 0.009586 0.44538 2.76817
49 3ETH ATP 0.008435 0.41174 2.8169
50 4CC6 L5Y 0.01492 0.42818 2.83019
51 2AWN ADP 0.04102 0.40216 2.88714
52 5GZ9 ANP 0.00000003313 0.64368 2.95082
53 3X01 AMP 0.001096 0.49597 2.96296
54 4UWH JXM 0.01181 0.42146 2.96296
55 1OFL NGK GCD 0.04116 0.40153 2.96296
56 3ZGJ RMN 0.03915 0.40976 2.96496
57 5FQK 6NT 0.02808 0.41849 2.97398
58 1EPB REA 0.006971 0.42892 3.04878
59 4INI AMP 0.01582 0.41521 3.07692
60 3SAO NKN 0.03123 0.4074 3.125
61 3T50 FMN 0.0168 0.40417 3.125
62 5H9P TD2 0.00388 0.46425 3.16456
63 2I74 MAN MAN MAN MAN 0.04768 0.40384 3.1746
64 3PNA CMP 0.003921 0.45879 3.24675
65 5IQD GNP 0.0004928 0.42475 3.27869
66 5IQD RIO 0.0005352 0.42475 3.27869
67 5HCF BGC 0.04842 0.40406 3.32103
68 2XN5 FUN 0.03567 0.40439 3.42857
69 2PYW ADP 0.000009295 0.54834 3.45679
70 5MRH Q9Z 0.006558 0.44703 3.45679
71 5U7W ADE 0.021 0.42665 3.45679
72 3LGG CFE 0.01356 0.41852 3.45679
73 3VKC FPQ 0.0144 0.4014 3.4965
74 3I0O ADP 0.0002773 0.51295 3.53982
75 5MW8 ATP 0.00001516 0.52812 3.7037
76 2AGC DAO 0.01965 0.42184 3.7037
77 2WBV SIA 0.02493 0.40708 3.7037
78 3WV6 GAL BGC 0.001296 0.47234 3.71622
79 3WV6 GAL GLC 0.006167 0.40914 3.71622
80 4IAW LIZ 0.007386 0.43978 3.7234
81 5FLJ QUE 0.01527 0.40026 3.76344
82 2I6A 5I5 0.02098 0.40268 3.76812
83 1I7E IBS 0.03597 0.41006 3.77358
84 4GYI ADP 0.00001991 0.56434 3.77834
85 2GQR ADP 0.003911 0.44099 3.79747
86 1OGX EQU 0.002859 0.45175 3.81679
87 3QRC SCR 0.0009796 0.48335 3.82166
88 5T7I LAT NAG GAL 0.001259 0.49224 3.87097
89 2DHC DCE 0.04977 0.40605 3.87097
90 3RGA LSB 0.0008289 0.47333 3.88693
91 3TII ANP 0.004382 0.45144 3.94737
92 4WOE ADP 0.02282 0.42423 3.95062
93 4KYS VIB 0.03129 0.4151 3.95062
94 1UMZ BGC BGC XYS BGC XYS GAL 0.03538 0.40824 3.95683
95 4OCJ NDG 0.0008611 0.41259 3.95778
96 5NFB 8VT 0.01091 0.43374 3.97727
97 5I0U DCY 0.01152 0.42982 4
98 3K8D KDO 0.03849 0.41017 4.16667
99 4OCV ANP 0.0001704 0.49608 4.22164
100 2JGV ADP 0.02582 0.41555 4.24242
101 5C1P ADP 0.009968 0.42897 4.24837
102 4YZ5 SLT 0.02932 0.42384 4.2836
103 4P25 FUC GAL NAG FUC 0.01214 0.41393 4.30464
104 5MOB A8S 0.01609 0.42233 4.31034
105 4XYM A12 0.003467 0.43584 4.34783
106 5KBE IPH 0.02877 0.41709 4.36681
107 3B00 16A 0.0346 0.40508 4.41176
108 3AVR OGA 0.04015 0.41047 4.44444
109 2YW2 ATP 0.01278 0.40663 4.44444
110 3TY5 ATP 0.03647 0.40388 4.44444
111 5KWY C3S 0.01129 0.41883 4.45344
112 4MA6 28E 0.01465 0.43304 4.4586
113 5H4I 7HQ 0.03623 0.40741 4.49438
114 4RYV ZEA 0.004123 0.4528 4.51613
115 4Y24 TD2 0.00295 0.46026 4.54545
116 4RJD TFP 0.0448 0.40485 4.54545
117 3W0O ADP 0.00518 0.40169 4.58453
118 3W0O HY0 0.00518 0.40169 4.58453
119 3VPB ADP 0.0008132 0.44589 4.60993
120 3VPC ADP 0.002288 0.43688 4.60993
121 2Z6C FMN 0.01188 0.41115 4.65116
122 5TFZ 7BC 0.007311 0.44454 4.66667
123 3P7G MAN 0.04463 0.40603 4.79452
124 5F2T PLM 0.008647 0.42442 4.87013
125 4CYI ATP 0.00001632 0.53731 4.93827
126 4AZW ATP 0.0005313 0.46906 4.93827
127 4AZT LY2 0.01698 0.42113 4.93827
128 4D06 NAR 0.01349 0.40267 4.947
129 1PK8 ATP 0.0009709 0.44267 4.9763
130 1OIJ AKG 0.02178 0.42323 4.98339
131 4OUC 5ID 0.0000004225 0.63947 5.04202
132 4P7X YCP 0.0138 0.41129 5.13699
133 4P7X AKG 0.0138 0.41129 5.13699
134 5I34 GDP 0.02026 0.41343 5.18518
135 4JNJ BTN 0.005231 0.43887 5.21739
136 4EES FMN 0.00891 0.41373 5.21739
137 3OF1 CMP 0.01916 0.41841 5.28455
138 5NCF 8T5 0.02803 0.41771 5.30973
139 3TM0 ANP 0.0005572 0.43368 5.32319
140 3TM0 B31 0.0006813 0.42759 5.32319
141 3BEO UDP 0.002237 0.45264 5.33333
142 2W5P CL8 0.02543 0.42585 5.36913
143 4JCA CIT 0.01123 0.45553 5.38922
144 4B1L FRU 0.01674 0.43131 5.45455
145 1I7L ATP 0.001007 0.44542 5.50162
146 3TDV GDP 0.000002069 0.59102 5.55556
147 3VV1 GAL FUC 0.002743 0.46929 5.625
148 1CBK ROI 0.02431 0.42232 5.625
149 2PSJ CEI 0.04826 0.40476 5.64263
150 2QL9 CIT 0.01736 0.42356 5.78035
151 1I82 BGC BGC 0.004322 0.46252 5.82011
152 5W2I I3P 0.00175 0.43517 5.83658
153 5W2I ADP 0.00175 0.43517 5.83658
154 5I35 ANP 0.000003433 0.58761 5.85242
155 4GLW 0XT 0.02215 0.41909 5.90164
156 5DXT 5H5 0.002342 0.44369 5.92593
157 5FI4 5XV 0.005445 0.41411 5.92593
158 4NS0 PIO 0.003548 0.46893 6.01504
159 2IF8 ADP 0.0002026 0.53335 6.06061
160 3WG3 A2G GAL NAG FUC 0.0017 0.47788 6.17978
161 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.01245 0.41021 6.19469
162 3M3E GAL A2G NPO 0.0188 0.41213 6.21118
163 1SU2 ATP 0.01799 0.40584 6.28931
164 1VRP IOM 0.003853 0.46174 6.29921
165 2IO8 ADP 0.00141 0.43917 6.41975
166 1YRO UDP 0.01566 0.42443 6.50407
167 5NCY 8TK 0.002841 0.41192 6.66667
168 4YEE 4CQ 0.04744 0.40607 6.66667
169 2VQD AP2 0.001596 0.44749 6.68103
170 4WUJ FMN 0.0148 0.40672 6.80272
171 2PR5 FMN 0.00528 0.42742 6.81818
172 2FLI DX5 0.01612 0.40204 6.81818
173 1WW5 SGA BGC 0.02975 0.417 6.875
174 5DKK FMN 0.01274 0.40974 6.89655
175 3MPB FRU 0.01928 0.41096 6.91057
176 5DZT AMP 0.001817 0.48242 6.91358
177 4WVW SLT 0.000244 0.52263 6.94444
178 1CKM GTP 0.01469 0.42853 6.9697
179 1CKN GTP 0.02474 0.41653 6.9697
180 1DZK PRZ 0.0121 0.41738 7.00637
181 4ZSI GLP 0.01294 0.41598 7.01754
182 3HAV ATP 0.0002466 0.53251 7.02341
183 5DMZ ADP 0.00000001078 0.69824 7.12329
184 2VPQ ANP 0.0008392 0.4524 7.16049
185 1Q8A HCS 0.04547 0.40653 7.40741
186 4IX4 ADP 0.000002844 0.44547 7.42857
187 1NME 159 0.0193 0.4236 7.53425
188 2BVE PH5 0.03919 0.42192 7.56302
189 2GQS C2R 0.002932 0.45121 7.59494
190 2GQS ADP 0.003125 0.44567 7.59494
191 4XMF HSM 0.00132 0.48689 7.6087
192 1OW4 2AN 0.02584 0.41168 7.75194
193 2ZL7 FUC GAL NGA 0.005569 0.45422 7.79661
194 3H7J PPY 0.01838 0.41199 7.81893
195 4KU7 PCG 0.00125 0.47424 7.84314
196 5JSP DQY 0.01227 0.43897 7.9602
197 1N5S ADL 0.01091 0.41956 8.03571
198 5TT6 ATP 0.009461 0.40952 8.12183
199 1G1T SIA GAL MAG FUC 0.02426 0.42048 8.28025
200 4LRJ ANP 0.000003489 0.58726 8.28402
201 2BKK ADP 0.0000648 0.53866 8.28402
202 4WW7 AMP 0.000002734 0.56625 8.42912
203 1OBD ATP 0.001511 0.47012 8.49673
204 5FCF GLY GLY GLY 0.02216 0.41154 8.5213
205 5JAX 6J7 0.002053 0.45443 8.88889
206 1ZTH ADP 0.000007059 0.5947 8.91473
207 1ZP9 ATP 0.000003578 0.594 8.91473
208 3P7N FMN 0.008862 0.41703 8.91473
209 3Q60 ATP 0.0000007663 0.61883 9.16442
210 5BV6 35G 0.00528 0.42742 9.21053
211 1IA9 ANP 0.00001882 0.54012 9.28571
212 3RE4 TO1 0.00008232 0.54 9.30233
213 1DTL BEP 0.02923 0.40535 9.31677
214 5MY8 RXZ 0.000000754 0.57293 9.39948
215 3SJK LYS PRO VAL LEU ARG THR ALA 0.007428 0.45341 9.47368
216 4RLT FSE 0.03638 0.4005 9.52381
217 5AIG VPR 0.0025 0.46396 9.6
218 2IDO TMP 0.03642 0.41144 9.63855
219 5H9Q TD2 0.001372 0.47128 9.67742
220 3OYW TDG 0.001836 0.48178 9.70149
221 5KEW 6SB 0.03151 0.41562 9.72222
222 2Z6D FMN 0.01428 0.40745 10
223 3AKK ADP 0.0001134 0.50423 10.1538
224 2V0U FMN 0.01773 0.40308 10.274
225 1A78 TDG 0.02673 0.41334 10.4478
226 1OPB RET 0.02644 0.40095 10.4478
227 2GC0 PAN 0.009376 0.41923 11.1702
228 5M06 ADP 0.000001206 0.61715 11.2319
229 1TZD ADP 0.0003262 0.52489 11.2727
230 4XH0 ADP 0.000002106 0.64538 11.4144
231 2YKL NLD 0.02651 0.4075 11.5741
232 4MUV PCG 0.01931 0.40757 11.9718
233 2XG5 EC2 0.02161 0.41143 12.3853
234 2XG5 EC5 0.02161 0.41143 12.3853
235 5USZ SKE 0.0000001623 0.58899 12.4567
236 1J3R 6PG 0.004585 0.45043 12.6316
237 4Z4P SAH 0.02369 0.40327 12.6506
238 4G17 0VN 0.000002271 0.42082 12.7273
239 5CKW ANP 0.00001903 0.57261 12.8395
240 5DJT FMN 0.01364 0.40837 13.1034
241 5EFW FMN 0.02025 0.4004 13.3333
242 3VHE 42Q 0.000000004968 0.63716 13.649
243 4FL3 ANP 0.00000006919 0.63691 14.3307
244 4KBA 1QM 0.0000002565 0.58095 15.1057
245 5W4W 9WG 0.0000001573 0.57319 15.1057
246 1TQP ATP 0.00003213 0.50922 15.2482
247 4AT3 LTI 0.00000003983 0.60179 15.7191
248 4BTK DTQ 0.0000003369 0.45741 15.727
249 2PZI AXX 0.00002853 0.5565 15.8025
250 5LXC 7AA 0.000000001212 0.49599 15.8025
251 1W2D ADP 0.0007977 0.48941 15.8491
252 5KMJ 6UF 0.00005845 0.49814 16.1094
253 4BKJ STI 0.0000009543 0.56864 16.5079
254 4IDT T28 0.000000001739 0.74562 16.573
255 4JH6 FCN 0.01502 0.42803 16.6667
256 4YMJ 4EJ 0.0000006324 0.67302 16.7763
257 4Q5H ANP 0.00001163 0.55581 17.1053
258 3PLS ANP 0.00000003748 0.68168 17.1141
259 4NFN 2KC 0.0000005161 0.62706 17.1521
260 5JFS 6K0 0.000000004242 0.58327 17.2078
261 2GEK GDP 0.017 0.41728 17.5309
262 4WB7 ATP 0.000002859 0.50819 17.7778
263 2AQX ATP 0.001929 0.44016 18.3391
264 5C03 AGS 0.000003235 0.5819 18.7134
265 4P5Z Q7M 0.00000001923 0.57467 19.1136
266 4WOV 3SM 0.00002727 0.55749 20.1893
267 4WB6 ATP 0.00000002112 0.63127 20.2857
268 4N70 2HX 0.0000001628 0.49094 20.4268
269 3GNI ATP 0.00000006056 0.64697 20.5656
270 3IDB ANP 0.00000002513 0.64889 20.5714
271 2QCS ANP 0.00000001826 0.63387 20.5714
272 3FHI ANP 0.00000002519 0.62812 20.5714
273 1RE8 BD2 0.00000004819 0.58148 20.5714
274 4I94 ANP 0.0000005151 0.6271 20.6667
275 4L9I 8PR 0.0000001617 0.65123 20.9877
276 3VRY B43 0.000001894 0.55618 21.2346
277 2GU8 796 0.000000003203 0.51142 21.365
278 3PVW QRX 0.000000004932 0.65726 21.4815
279 4Y93 746 0.000001719 0.55794 21.4815
280 5UKL SIX 0.0000004149 0.49951 21.4815
281 3CY2 MB9 0.00000004193 0.63923 21.6561
282 1JPA ANP 0.00000568 0.60476 21.7949
283 2R5T ANP 0.00000000636 0.68279 21.9839
284 2XVD AS6 0.000001278 0.54771 22.1854
285 2WU6 DKI 0.00000002592 0.64831 22.3097
286 4WNK 453 0.00000001856 0.61477 22.4691
287 3KRL KRL 0.000000414 0.60253 22.6866
288 4Y0X ADP 0.0000008997 0.62338 22.9333
289 3C1X CKK 0.0000002606 0.61143 23.3244
290 5T8O 76Z 0.00000003809 0.65605 23.4957
291 2Y6O 1N1 0.000000656 0.59368 23.7113
292 4OTH DRN 0.0000000105 0.67316 23.7537
293 1Q8Y ADP 0.000000007534 0.68781 23.8606
294 1Q8Y ADE 0.0000002668 0.67771 23.8606
295 3MVH WFE 0.0000001208 0.58294 23.9766
296 4YLL 4E3 0.0000002944 0.60247 24.0997
297 3V8S 0HD 0.000000001396 0.7502 24.1975
298 2X2M X2M 0.0000000004565 0.73342 24.2038
299 5LI1 ANP 0.000000001696 0.70819 24.2938
300 5LI9 ACP 0.00000001882 0.67816 24.5714
301 4USF 6UI 0.00003386 0.50825 24.6711
302 3KMW ATP 0.00009105 0.51934 24.7232
303 3EKK GS2 0.0000001003 0.55614 24.7557
304 4XT2 43L 0.009418 0.40671 24.7934
305 4ITH RCM 0.00001237 0.53723 24.8299
306 4Y85 499 0.000003044 0.59011 25
307 2BOS GLA GAL 0.01396 0.41696 25
308 2BOS GLA GAL GLC 0.02017 0.40667 25
309 5IH9 6BF 0.000000002684 0.61759 25.0746
310 3NW7 LGV 0.0000001989 0.55885 25.0814
311 1K3A ACP 0.0000005147 0.64387 25.0836
312 2PVF ACP 0.000000003347 0.73199 25.1497
313 3BU5 ATP 0.000000007711 0.70507 25.1634
314 4F9C 0SX 0.00000003765 0.68158 25.2078
315 3FHR P4O 0.0000000691 0.65218 25.2976
316 2JLD AG1 0.000000001442 0.63911 25.4321
317 2PVN P63 0.00000001661 0.62274 25.679
318 3LXN MI1 0.0000000001358 0.76649 26.4151
319 1QY1 PRZ 0.004132 0.4255 26.4368
320 4ASE AV9 0.000000003174 0.65811 26.6289
321 4IJP 1EH 0.00000003867 0.49774 26.8156
322 3RI1 3RH 0.00000003899 0.62031 26.8371
323 4NM5 ADP 0.000000005368 0.67801 27.321
324 4GJ3 0XP 0.000000001112 0.65596 27.4834
325 4NW6 2NS 0.000000003374 0.63128 27.5542
326 4OH4 ANP 0.0000002619 0.63317 27.6276
327 3ZRM ZRM 0.00000001404 0.69285 27.7628
328 5EOB 5QQ 0.00000001655 0.60924 27.8997
329 4JR7 GNP 0.000000005154 0.71329 28.0749
330 2Z7R STU 0.000000000005734 0.81755 28.3489
331 3DLS ADP 0.00000004947 0.45488 28.3951
332 3E8N ATP 0.00000007001 0.52125 28.4457
333 3E8N VRA 0.00000007001 0.52125 28.4457
334 3H9R TAK 0.000003712 0.61766 28.4848
335 5LPZ ADP 0.0000003279 0.62859 28.6145
336 3C0G 3AM 0.0000000682 0.68786 28.7749
337 5HX8 66P 0.000000004011 0.66096 28.8079
338 2QLU ADE 0.0000008455 0.67464 28.9809
339 3PP0 03Q 0.0000001881 0.59219 28.9941
340 3LXK MI1 0.000000007765 0.64239 29.052
341 3GQI ACP 0.000000001709 0.7358 29.1411
342 5JKG 6LF 0.000000001805 0.6101 29.2605
343 4L3L 5FI 0.00000007727 0.53197 29.2763
344 2H8H H8H 0.0000002969 0.63061 29.3827
345 1Y57 MPZ 0.000006816 0.5432 29.3827
346 3F7Z 34O 0.0000000009369 0.74806 29.4286
347 4K33 ACP 0.00000002255 0.67455 29.5385
348 5UR1 YY9 0.000000001306 0.58685 29.582
349 5UIU 8CG 0.0000007266 0.50234 29.7214
350 4AG8 AXI 0.000000001098 0.63162 29.7468
351 4U0I 0LI 0.000000002883 0.64003 29.8413
352 4E1Z 0MX 0.00000005803 0.6331 29.8969
353 5HCY 60D 0.00000001917 0.54163 29.9094
354 2OO8 RAJ 0.000001267 0.58103 29.9685
355 3ORK AGS 0.0000003022 0.58956 30.2251
356 5NKB 8ZT 0.00000000537 0.57363 30.3922
357 3HMO STU 0.000000004768 0.72462 30.4094
358 4EWH T77 0.00000002406 0.62252 30.5455
359 1U59 STU 0.000000000361 0.76751 30.662
360 1VJY 460 0.000000009489 0.61428 31.3531
361 1OPK P16 0.00000001008 0.61912 31.358
362 5MJA 7O3 0.000000195 0.65592 31.4754
363 2HK5 1BM 0.0000003183 0.61445 31.4815
364 4E93 GUI 0.0000008122 0.5411 31.565
365 5FBN 5WF 0.000002071 0.51728 31.7343
366 5LPB ADP 0.000003111 0.61294 31.7568
367 4JDI ANP 0.00000001601 0.67304 31.7919
368 3HZT J60 0.0000001017 0.68912 31.8519
369 3IGO ANP 0.000000001745 0.70765 32.0988
370 1BYG STU 0.0000000005521 0.78077 32.3741
371 5AWM ANP 0.0000002489 0.66919 32.4873
372 3UIM ANP 0.0000001351 0.64668 32.5153
373 3TTI KBI 0.000000001238 0.67465 32.5926
374 3SXF BK5 0.000000776 0.53292 32.5926
375 3TXO 07U 0.00000001037 0.71836 33.1445
376 3SRV S19 0.000000001402 0.75011 33.213
377 2OFV 242 0.000000003329 0.61421 33.213
378 4EUU BX7 0.000000003675 0.66252 33.2288
379 4F4P 0SB 0.000000007174 0.49589 33.3333
380 2YAB AMP 0.0000000008377 0.74036 33.518
381 5TA6 79D 0.0000001805 0.58712 33.5196
382 5N87 N66 0.000000001024 0.63272 33.5463
383 3KRR DQX 0.0000000000661 0.52498 33.5593
384 1U5R ATP 0.0002599 0.42587 33.6207
385 4QTB 38Z 0.0000000009657 0.67188 33.6842
386 5TO8 7FM 0.00000002105 0.56699 33.6879
387 4CRL C1I 0.0000000001982 0.67124 33.7438
388 2V7O DRN 0.000000006665 0.76188 34.2262
389 2ZV2 609 0.00000005624 0.70231 34.2282
390 4WHZ 3NL 0.0000003048 0.48583 34.5455
391 4CLI 5P8 0.00000004558 0.57911 34.5566
392 3OFM 4B0 0.00000003434 0.70278 34.5714
393 3PE2 E1B 0.000001498 0.47334 34.7181
394 3BZ3 YAM 0.00000004366 0.48569 34.7826
395 4I6H 1C8 0.000002185 0.58991 35.0649
396 3KN5 ANP 0.0000001383 0.44532 35.0769
397 4U44 3D9 0.00000007077 0.4772 35.241
398 5X8I SQZ 0.0000000007972 0.75135 35.2601
399 4CSV STI 0.0000001108 0.6209 35.2727
400 4LOO SB4 0.00000168 0.59527 35.4571
401 2JDR L20 0.0000001619 0.46164 35.6725
402 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000001619 0.46164 35.6725
403 4IZY 1J2 0.00000018 0.62562 35.7724
404 4X7Q 3YR 0.000000001856 0.73412 35.8974
405 4H3Q ANP 0.00000007942 0.62718 35.9116
406 3TKI S25 0.00000003036 0.49213 35.9133
407 4BFM ANP 0.000000003896 0.70073 35.9281
408 5VCV 1N1 0.000000006225 0.66755 36.0129
409 2HY0 306 0.000000009694 0.73031 36.0248
410 4H3P ANP 0.00000001533 0.69106 36.1878
411 3GC8 B45 0.00000004126 0.64685 36.2162
412 4BHN BH9 0.000000006702 0.6901 36.2275
413 1XJD STU 0.0000000003856 0.75587 36.2319
414 4UX9 ANP 0.00000000141 0.72064 36.2637
415 5BVE 4VG 0.0000000003295 0.51206 36.2881
416 4XV1 904 0.0000000009986 0.64506 36.3014
417 4NST ADP 0.00000004543 0.6689 36.4672
418 3GC0 AMP 0.0000004226 0.64816 36.4742
419 4D2S DYK 0.0000000136 0.72293 36.6197
420 3PTG 932 0.00000000127 0.46536 36.6391
421 2VZ6 FEF 0.00000003953 0.69972 36.7412
422 4RFM 3P6 0.00002894 0.42861 36.8421
423 3E7O 35F 0.0000000001875 0.67881 36.9444
424 5JZJ AN2 0.000000001585 0.74756 37.037
425 5BYZ 4WE 0.000000006856 0.62556 37.069
426 2X4Z X4Z 0.00000008308 0.56853 37.1622
427 3ALN ANP 0.0000003473 0.61275 37.3089
428 5VC5 96M 0.0000003206 0.57703 37.3702
429 3M2W L8I 0.000000002418 0.76052 37.4582
430 5JGA 6KC 0.00000000004091 0.70385 37.4603
431 5EKO N17 0.000008683 0.53863 37.4663
432 3SLS ANP 0.0000001125 0.62758 37.5
433 3SLS 77D 0.007569 0.42361 37.5
434 4Y8D 49J 0.000000002021 0.73238 37.9412
435 4CQE CQE 0.00000004792 0.64397 38.1295
436 5AX9 4KT 0.000000007159 0.70659 38.3117
437 4WNP 3RJ 0.0000000009251 0.78143 38.3275
438 4A4X JUP 0.000002791 0.54397 38.3513
439 1CM8 ANP 0.000002942 0.59082 38.4196
440 3SXS PP2 0.0000003025 0.61545 38.4328
441 2VN9 GVD 0.000000005781 0.76513 38.5382
442 2F57 23D 0.0000002723 0.64882 38.8013
443 5HES 032 0.0000000597 0.49383 39.0879
444 2WQN ADP 0.00000007544 0.68566 39.3548
445 5EFQ ADP 0.00000003312 0.67535 39.7695
446 5U6C 7YS 0.0000007532 0.59102 40
447 4O1P ANP 0.00000001545 0.69089 40.4938
448 1ZY5 ANP 0.00001312 0.55969 40.5941
449 2WEL K88 0.00000005339 0.73514 40.6728
450 4C2V YJA 0.000000002278 0.65041 40.7018
451 2YAK OSV 0.00000002856 0.60744 41.0526
452 5HQ0 LZ9 0.0000000005999 0.73739 41.0596
453 2B9J ADP 0.000000008198 0.71333 41.0765
454 2B9I ADP 0.000000006812 0.7076 41.0765
455 2B9F ADP 0.000000009547 0.70072 41.0765
456 2B9H ADP 0.000000006616 0.50752 41.0765
457 3G5D 1N1 0.000000006017 0.50991 41.2587
458 5CEO 50D 0.00000402 0.42758 41.3333
459 5L8L ADP 0.0000000003089 0.81821 41.4035
460 5G1X ADP 0.000000003509 0.73101 41.4035
461 5LVP ATP 0.000000001297 0.77408 41.4791
462 4C2W ANP 0.0000000007445 0.79862 41.5771
463 3QCQ 3Q0 0.00000000003417 0.46759 41.6667
464 5LXM ADP 0.0000000001884 0.79191 41.6961
465 4OAV ACP 0.00000002038 0.69437 41.7284
466 2BPM 529 0.00000004004 0.50997 41.7476
467 4YZN 4K5 0.00000000102 0.70933 41.8118
468 5DH3 5BS 0.0000001422 0.63024 41.9048
469 4AUA 4AU 0.000000005235 0.72267 42.0195
470 5EYK 5U5 0.00000002641 0.62089 42.029
471 3AQV TAK 0.000004813 0.5738 42.029
472 5KO1 6UY 0.0000006289 0.62295 42.4028
473 5A6N U7E 0.00000002813 0.49149 42.4028
474 4TWP AXI 0.000000001522 0.56891 42.8044
475 4CFU 2WC 0.0000000003546 0.79019 42.9043
476 4XLI 1N1 0.0000001793 0.64908 42.9104
477 4BCQ TJF 0.000000005237 0.75518 43.1894
478 4BCM T7Z 0.00000005846 0.724 43.1894
479 4AU8 Z3R 0.00000001135 0.73794 43.2432
480 5DRB 5FJ 0.0000007226 0.48297 43.299
481 4KS7 X4Z 0.0000001489 0.61533 43.4931
482 2XMY CDK 0.0000000002641 0.50959 43.6242
483 4BCN T9N 0.0000000003807 0.80075 43.6667
484 4FG8 ATP 0.000000006974 0.68932 43.8095
485 4G31 0WH 0.000000003055 0.62696 43.8127
486 1UNH IXM 0.000000003672 0.75143 43.8356
487 3O0G 3O0 0.000000000514 0.51623 43.8356
488 3E5A VX6 0.000001949 0.55565 44.0299
489 5LMK 6ZK 0.0000001697 0.65887 44.1077
490 5H2U 1N1 0.00001656 0.5486 44.1948
491 2A19 ANP 0.00000001334 0.73436 44.3662
492 5HVJ ANP 0.00000005518 0.73464 44.4444
493 5DBX ANP 0.00000003912 0.69995 44.5122
494 5DA3 58V 0.0000004527 0.65587 44.5283
495 5UOX 8GY 0.00000001421 0.66734 44.6494
496 4QMN DB8 0.0000001131 0.55888 44.8387
497 2WEI VGG 0.00000002949 0.69612 45.2962
498 1V0O INR 0.000000001312 0.7314 45.4861
499 4M69 ANP 0.0000009006 0.59408 45.583
500 5DEY 59T 0.0000000001583 0.55981 45.7912
501 3GGF GVD 0.000000007624 0.7249 45.8472
502 1PHK ATP 0.0000000006021 0.74696 46.3087
503 3DAK ANP 0.00000008124 0.67455 46.8966
Pocket No.: 2; Query (leader) PDB : 4YZC; Ligand: STU; Similar sites found: 31
This union binding pocket(no: 2) in the query (biounit: 4yzc.bio2) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AVB CMP 0.02644 0.40857 1.2012
2 1M26 GAL A2G 0.01751 0.43385 1.50376
3 5C5T AKG 0.02452 0.41775 1.75439
4 4LH7 1X8 0.01117 0.43163 1.85759
5 3WD6 GSH 0.04791 0.40507 1.95312
6 4FFG LBS 0.01733 0.41933 2.22222
7 2YRX AMP 0.04881 0.4067 2.22222
8 3HQP OXL 0.03828 0.40473 2.46914
9 3K3K A8S 0.01845 0.40041 2.8436
10 1WRA PC 0.03749 0.40671 2.92208
11 5FXD H7Y 0.009887 0.42269 2.96296
12 3KDJ A8S 0.01181 0.41232 3.16456
13 3BXO UPP 0.0184 0.40962 3.34728
14 4CNO 9PY 0.03984 0.41103 3.57143
15 1Y7P RIP 0.005973 0.42299 3.58744
16 5TV6 PML 0.04741 0.40615 3.75
17 3NZ1 3NY 0.002253 0.48636 4.5977
18 2GCG DGY 0.006827 0.44852 4.84848
19 3A6T 8OG 0.02545 0.40277 5.42636
20 5SVV FMN 0.01639 0.40275 5.83942
21 1WLJ U5P 0.04964 0.40252 6.34921
22 5OO5 UUA 0.004648 0.43851 6.45161
23 1UI0 URA 0.04363 0.4083 7.31707
24 3W68 VIV 0.01354 0.40087 7.5188
25 4XBT 3ZQ 0.02755 0.40766 7.74194
26 4OCT AKG 0.003224 0.45943 10.8108
27 1AV5 AP2 0.008818 0.43273 11.1111
28 1SN0 T44 0.03385 0.40309 11.5385
29 5DJU FMN 0.01619 0.40299 16.3934
30 1VBO MAN MAN MAN 0.04762 0.40565 22.8188
31 1OUK 084 0.00000001387 0.40173 34.9727
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