Receptor
PDB id Resolution Class Description Source Keywords
5H2U 2.24 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF PTK6 KINASE DOMAIN COMPLEXED WITH DASAT HOMO SAPIENS TRANSFERASE KINASE BRK PTK6 DASATINIB
Ref.: CO-CRYSTAL STRUCTURES OF PTK6: WITH DASATINIB AT 2. ANGSTROM , WITH NOVEL IMIDAZO[1,2-A]PYRAZIN-8-AMINE DERIVATIVE INHIBITOR AT 1.70 ANGSTROM RESOLUTION BIOCHEM. BIOPHYS. RES. V. 482 1289 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1N1 C:501;
D:504;
B:501;
A:501;
Valid;
Valid;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 1.242;
Atoms found MORE than expected: % Diff = 1.242;
Atoms found MORE than expected: % Diff = 1.242;
Atoms found MORE than expected: % Diff = 1.242;
ic50 = 7 nM
488.006 C22 H26 Cl N7 O2 S Cc1cc...
GOL D:502;
B:502;
B:504;
D:503;
D:501;
C:504;
A:504;
A:502;
A:503;
B:503;
C:503;
C:502;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H2U 2.24 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF PTK6 KINASE DOMAIN COMPLEXED WITH DASAT HOMO SAPIENS TRANSFERASE KINASE BRK PTK6 DASATINIB
Ref.: CO-CRYSTAL STRUCTURES OF PTK6: WITH DASATINIB AT 2. ANGSTROM , WITH NOVEL IMIDAZO[1,2-A]PYRAZIN-8-AMINE DERIVATIVE INHIBITOR AT 1.70 ANGSTROM RESOLUTION BIOCHEM. BIOPHYS. RES. V. 482 1289 2017 COMMUN.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5H2U ic50 = 7 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 5H2U ic50 = 7 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5H2U ic50 = 7 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1N1; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 1N1 1 1
2 4B7 0.627273 0.842105
3 8ZT 0.509259 0.863014
4 8ZW 0.470085 0.735632
5 90N 0.470085 0.64
6 90T 0.466667 0.776316
7 90W 0.46087 0.697368
8 90Z 0.458333 0.609195
9 91K 0.455285 0.813333
10 8ZH 0.452991 0.756757
11 90E 0.45082 0.723684
12 91H 0.449153 0.706667
13 92Q 0.449153 0.733333
14 91E 0.444444 0.620253
15 8ZK 0.42623 0.773333
16 8ZZ 0.424 0.733333
17 90B 0.421488 0.746667
18 8ZN 0.419355 0.736842
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5H2U; Ligand: 1N1; Similar sites found: 351
This union binding pocket(no: 1) in the query (biounit: 5h2u.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OFG PCG 0.009194 0.40757 None
2 2ZFZ ARG 0.03563 0.40055 None
3 5IXH OTP 0.02134 0.40808 1.24224
4 3JQ3 ADP 0.001398 0.45098 1.49813
5 3TTZ 07N 0.002069 0.40805 1.51515
6 1KGI T4A 0.004135 0.42087 1.5748
7 3KYG 5GP 5GP 0.003282 0.40935 1.76211
8 4ZS4 ATP 0.0006455 0.43942 1.87266
9 1M15 ADP 0.01249 0.41114 1.87266
10 1M15 ARG 0.01249 0.41114 1.87266
11 5W2I ADP 0.002171 0.43345 1.94553
12 5W2I I3P 0.002171 0.43345 1.94553
13 3OF1 CMP 0.01332 0.40395 2.03252
14 4DSU BZI 0.007439 0.42294 2.1164
15 1IA9 ANP 0.0006584 0.43911 2.24719
16 3IES M24 0.007803 0.42187 2.24719
17 2ZWS PLM 0.006247 0.41581 2.24719
18 2RDE C2E 0.002782 0.40498 2.39044
19 2CNT COA 0.01253 0.40217 2.5
20 1GPM AMP 0.002647 0.44056 2.62172
21 5LIA 6XN 0.01272 0.43456 2.62172
22 2Z49 AMG 0.009277 0.43044 2.62172
23 4IGH ORO 0.03287 0.41307 2.62172
24 4IGH FMN 0.03287 0.41307 2.62172
25 4IGH 1EA 0.03287 0.41307 2.62172
26 2ORO 228 0.002924 0.41302 2.62172
27 2IF8 ADP 0.0009969 0.40689 2.62172
28 3A16 PXO 0.01926 0.40489 2.62172
29 5N49 8LW 0.01985 0.40385 2.96296
30 3UDZ ADP 0.0005072 0.45366 2.99625
31 1I1E DM2 0.003857 0.43994 2.99625
32 4NOS ITU 0.003196 0.43874 2.99625
33 2CFM AMP 0.004441 0.4269 2.99625
34 2HK9 SKM 0.01209 0.42142 2.99625
35 5DXT 5H5 0.004641 0.41145 2.99625
36 4FE2 AIR 0.0139 0.40307 2.99625
37 3VOT ADP 0.002369 0.40261 2.99625
38 5MW4 5JU 0.02719 0.40209 2.99625
39 1UPR 4IP 0.004362 0.45169 3.25203
40 1GMN IDS SGN IDS SGN IDS 0.02006 0.41021 3.27869
41 3I0O ADP 0.0005843 0.46912 3.37079
42 5MW8 ATP 0.0007155 0.45322 3.37079
43 2YNE YNE 0.009565 0.44871 3.37079
44 2YNE NHW 0.009565 0.44871 3.37079
45 5FI4 5XV 0.00314 0.42625 3.37079
46 4OCJ NDG 0.01129 0.41648 3.37079
47 4OCV ANP 0.003715 0.40724 3.37079
48 1KZN CBN 0.004221 0.41326 3.41463
49 4LRJ ANP 0.002886 0.41392 3.5503
50 5LYH 7B8 0.01129 0.41083 3.62694
51 1A78 TDG 0.007704 0.4227 3.73134
52 4R78 AMP 0.0006257 0.47357 3.74532
53 2VPQ ANP 0.002281 0.43073 3.74532
54 3WVR AMP 0.002466 0.4298 3.74532
55 1SGJ OAA 0.005651 0.42137 3.74532
56 3HKW IX6 0.04043 0.41178 3.74532
57 1XL8 152 0.02209 0.40251 3.74532
58 4XMF HSM 0.004454 0.4147 3.80435
59 4GYI ADP 0.001176 0.44938 4.03023
60 4XIZ LPP 0.01991 0.40049 4.11765
61 3PDT ADP 0.001738 0.4171 4.11985
62 4P8K 38C 0.02858 0.40831 4.11985
63 4P8K FAD 0.02858 0.40831 4.11985
64 3DLG GWE 0.04036 0.40676 4.11985
65 2YRX AMP 0.0193 0.40656 4.11985
66 3E9I XAH 0.01574 0.40166 4.11985
67 4RDL FUC GAL NDG FUC 0.0006256 0.40144 4.11985
68 3A5Z KAA 0.01618 0.40111 4.11985
69 2QHV OC9 0.01098 0.41232 4.28571
70 5I35 ANP 0.00005063 0.50074 4.49438
71 2YBP 2HG 0.01631 0.41164 4.49438
72 2OS2 OGA 0.01695 0.41068 4.49438
73 2PNC CLU 0.0008261 0.47962 4.86891
74 3T4L ZEA 0.0001396 0.4758 4.86891
75 4OYA 1VE 0.01603 0.42764 4.86891
76 3KAL ADP 0.008643 0.41745 4.86891
77 4C5N ACP 0.0004913 0.40856 4.86891
78 4U98 ACP 0.006064 0.40805 4.86891
79 1SIV PSI 0.01805 0.40249 5.05051
80 5A89 ADP 0.0257 0.40417 5.12821
81 5A89 FMN 0.0257 0.40417 5.12821
82 2VDF OCT 0.0002644 0.47882 5.13834
83 4OAV ACP 0.00001116 0.53002 5.24345
84 3X01 AMP 0.0002149 0.50569 5.24345
85 1ED4 IPU 0.04021 0.43419 5.24345
86 3HAV ATP 0.0003355 0.408 5.24345
87 1TT8 PHB 0.01042 0.40581 5.4878
88 5ALC TIQ 0.002032 0.44115 5.55556
89 1I7L ATP 0.001388 0.44217 5.61798
90 4WOE ADP 0.01148 0.40244 5.61798
91 4BG4 ADP 0.007124 0.40131 5.61798
92 5XDT ZI7 0.01429 0.40096 5.61798
93 4R38 RBF 0.006739 0.4062 5.71429
94 2XXP DSL 0.005579 0.45388 5.99251
95 3AD8 FAD 0.01879 0.4266 5.99251
96 3AD8 PYC 0.01879 0.4266 5.99251
97 3A7R LAQ 0.01166 0.41475 5.99251
98 1IHU AF3 0.00184 0.40748 5.99251
99 1PK8 ATP 0.0009382 0.40141 5.99251
100 1IHU ADP 0.002024 0.40014 5.99251
101 5XLY C2E 0.001945 0.42593 6.01504
102 5D9G GLU ASN LEU TYR PHE GLN 0.003947 0.43423 6.09756
103 2GAG FAD 0.01047 0.42655 6.19048
104 2GAG FOA 0.01274 0.4224 6.19048
105 3QXV MTX 0.006966 0.40173 6.34921
106 4AZT LY2 0.0004495 0.47458 6.36704
107 1CKM GTP 0.007002 0.42196 6.36704
108 3VPC ADP 0.0014 0.4127 6.36704
109 4K55 H6P 0.000567 0.49419 6.45161
110 1IF7 SBR 0.04634 0.41533 6.56371
111 5K2M ADP 0.001098 0.44674 6.74157
112 5LRT ADP 0.008679 0.40794 6.74157
113 1ZP9 ATP 0.00009793 0.49373 6.97674
114 3RE4 TO1 0.00002157 0.47838 6.97674
115 1ZTH ADP 0.00002781 0.47335 6.97674
116 1QKQ MAN 0.00009448 0.49657 7.04225
117 3LKJ LKJ 0.008953 0.41552 7.0922
118 5ENQ 5QE 0.01224 0.40117 7.11611
119 4DFU QUE 0.008122 0.42357 7.49064
120 3OPT AKG 0.02078 0.40622 7.49064
121 5C4L 4XR 0.01393 0.40536 7.49064
122 4CYI ATP 0.000117 0.48393 7.86517
123 2PYW ADP 0.0005896 0.45294 7.86517
124 1T36 ADP 0.01156 0.40518 7.86517
125 2AG4 OLA 0.008668 0.43688 7.92683
126 2AG4 LP3 0.009568 0.43688 7.92683
127 4CS9 AMP 0.003961 0.44338 7.93651
128 1TZD ADP 0.0008524 0.4784 8.61423
129 4OUC 5ID 0.0004393 0.44155 8.61423
130 3ML1 MGD 0.02472 0.42277 8.61423
131 1W2D ADP 0.001259 0.45315 8.67924
132 4B0T ADP 0.006842 0.41261 8.98876
133 4IAW LIZ 0.006012 0.42058 9.04255
134 3G08 FEE 0.007289 0.43909 9.09091
135 3Q60 ATP 0.0008894 0.43554 9.3633
136 4WW7 AMP 0.002207 0.42954 9.96169
137 5DQ8 FLF 0.01158 0.40073 10
138 5COU ATP 0.001128 0.43068 10.1124
139 1NCQ W11 0.007123 0.40327 10.2941
140 4IX4 ADP 0.001283 0.43804 10.4869
141 3H0L ADP 0.0006518 0.41283 10.6383
142 1LSH PLD 0.004125 0.42847 10.8614
143 2IO8 ADP 0.001453 0.40131 10.8614
144 1QXA GLY GLY GLY 0.02501 0.41837 11.0638
145 5U98 1KX 0.004157 0.44023 11.1111
146 2V58 LZJ 0.002766 0.45173 11.236
147 5VZ0 ADP 0.0027 0.41549 11.236
148 2ZHL NAG GAL GAL NAG 0.007817 0.41088 12.1622
149 2VQD AP2 0.003072 0.40515 12.3596
150 4NG2 OHN 0.01012 0.40491 12.3894
151 2G30 ALA ALA PHE 0.00000174 0.62045 12.4031
152 4LH7 1X8 0.0008287 0.4766 12.7341
153 2RCU BUJ 0.02738 0.41067 13.4831
154 5X8G S0N 0.02775 0.4082 14.9813
155 4KU7 PCG 0.007916 0.41062 15.6863
156 2ZMF CMP 0.007955 0.40115 16.4021
157 2PUL ACP 0.01263 0.4152 16.4794
158 4F9C 0SX 0.00003082 0.4977 16.6667
159 4WVW SLT 0.007575 0.42798 16.6667
160 3SAO DBH 0.000008126 0.41107 18.75
161 5CKW ANP 0.000717 0.42392 19.4757
162 5DMZ ADP 0.0007413 0.4442 24.7191
163 5GZ9 ANP 0.00001181 0.53276 25.0936
164 3M2W L8I 0.0000115 0.50161 26.2172
165 2PZI AXX 0.0001209 0.49555 26.2172
166 4Y0X ADP 0.0001322 0.46554 26.2172
167 5MY8 RXZ 0.000007093 0.54723 26.9663
168 4CRL C1I 0.000009211 0.55563 28.839
169 1PHK ATP 0.00001731 0.51799 29.2135
170 1GT4 UNA 0.005105 0.4114 29.5597
171 4JR7 GNP 0.00002715 0.50679 30.4813
172 3GNI ATP 0.00001875 0.51902 31.0861
173 4O1P ANP 0.00001681 0.51586 32.5843
174 5M06 ADP 0.00001963 0.4963 32.5843
175 3VPB ADP 0.001647 0.44055 33.9286
176 5T8O 76Z 0.0000007997 0.54863 34.0824
177 4IDT T28 0.000003279 0.53889 34.0824
178 5X8I SQZ 0.00000534 0.53756 34.4569
179 4WNK 453 0.0007004 0.46386 34.4569
180 5LXC 7AA 0.0000009263 0.55232 34.8315
181 3KN5 ANP 0.0003342 0.44125 35.206
182 3V8S 0HD 0.00001421 0.52534 35.5805
183 3TXO 07U 0.00001389 0.50519 35.5805
184 4WB6 ATP 0.0001224 0.49336 35.5805
185 2GU8 796 0.0000002164 0.66136 35.9551
186 1RE8 BD2 0.0003279 0.49729 35.9551
187 2QCS ANP 0.0001306 0.49207 35.9551
188 3FHI ANP 0.0001318 0.4919 35.9551
189 3DLS ADP 0.00009653 0.47133 35.9551
190 3IDB ANP 0.00006246 0.45703 35.9551
191 2A19 ANP 0.0000184 0.54106 36.3296
192 3UIM ANP 0.00000715 0.53204 36.3296
193 4OTH DRN 0.00004784 0.50341 36.3296
194 3C0G 3AM 0.00004622 0.47569 36.3296
195 4USF 6UI 0.00000002379 0.65599 37.0787
196 4G17 0VN 0.00000163 0.54272 37.0787
197 2QLU ADE 0.0000002879 0.45942 37.0787
198 5LVP ATP 0.0002012 0.45144 37.0787
199 4U44 3D9 0.0000007003 0.57601 37.3494
200 3QCQ 3Q0 0.00003196 0.57593 37.4532
201 2B9F ADP 0.000003228 0.54709 37.4532
202 2B9H ADP 0.000005335 0.54041 37.4532
203 2RIO ADP 0.00001195 0.51432 37.4532
204 2B9I ADP 0.00001916 0.51338 37.4532
205 3VHE 42Q 0.0000001052 0.50347 37.4532
206 2CSN CKI 0.002333 0.46505 37.4532
207 3E8N VRA 0.0000003522 0.41553 37.4532
208 3E8N ATP 0.0000003522 0.41553 37.4532
209 2HY0 306 0.00000008868 0.642 37.8277
210 2PVN P63 0.000001245 0.58804 37.8277
211 3TKI S25 0.000007864 0.58254 37.8277
212 5UKL SIX 0.0007468 0.45943 37.8277
213 4G31 0WH 0.000001451 0.44872 37.8277
214 3PVW QRX 0.000716 0.40555 37.8277
215 2VN9 GVD 0.0000002378 0.54544 38.2022
216 4YLL 4E3 0.00001339 0.53033 38.2022
217 5EKO N17 0.0001225 0.48743 38.2022
218 4EUU BX7 0.000004633 0.47979 38.2022
219 2XK9 XK9 0.002589 0.47386 38.2022
220 2B9J ADP 0.00001183 0.51486 38.4615
221 5EYK 5U5 0.0000003006 0.61397 38.5768
222 3GC0 AMP 0.00002462 0.52784 38.5768
223 4NST ADP 0.00001506 0.51794 38.5768
224 4C2V YJA 0.000000238 0.50327 38.5768
225 4C2W ANP 0.0001192 0.45583 38.5768
226 1Q8Y ADP 0.00003245 0.50851 38.9513
227 1Q8Y ADE 0.000003417 0.5004 38.9513
228 4XH0 ADP 0.000004159 0.59585 39.3258
229 1UNH IXM 0.0000001157 0.58126 39.3258
230 4H3P ANP 0.0000008295 0.5728 39.3258
231 3PE2 E1B 0.00003028 0.54707 39.3258
232 1V0O INR 0.000002771 0.53909 39.3258
233 3O0G 3O0 0.00000373 0.53713 39.3258
234 4AU8 Z3R 0.000002 0.52428 39.3258
235 2YAK OSV 0.00002633 0.43433 39.3258
236 4L9I 8PR 0.004318 0.40695 39.3258
237 5BVE 4VG 0.0000001069 0.68261 39.7004
238 5UIU 8CG 0.00000005475 0.65242 39.7004
239 5VCV 1N1 0.000000001118 0.6186 39.7004
240 3E7O 35F 0.0000006698 0.60658 39.7004
241 2XMY CDK 0.000006473 0.59717 39.7004
242 4H3Q ANP 0.000000464 0.5955 39.7004
243 4CFU 2WC 0.0000008831 0.58701 39.7004
244 4BCN T9N 0.000001695 0.58213 39.7004
245 1CM8 ANP 0.00001346 0.5121 39.7004
246 4BCM T7Z 0.000001298 0.50881 39.7004
247 4UX9 ANP 0.00001102 0.50303 39.7004
248 4BCQ TJF 0.00001564 0.49149 39.7004
249 5LMK 6ZK 0.00004875 0.48254 39.7004
250 2R5T ANP 0.0005643 0.42807 39.7004
251 2WU6 DKI 0.00000008612 0.62814 40.0749
252 5AWM ANP 0.0000005183 0.6153 40.0749
253 4QTB 38Z 0.00000148 0.5846 40.0749
254 4IJP 1EH 0.000001153 0.57247 40.0749
255 5A6N U7E 0.0001556 0.47616 40.0749
256 5LPB ADP 0.000000002714 0.62553 40.4494
257 5LPZ ADP 0.00000005402 0.6245 40.4494
258 4OH4 ANP 0.0000002673 0.59424 40.4494
259 4IZY 1J2 0.000001194 0.54147 40.4494
260 5DEY 59T 0.0000008436 0.6299 40.824
261 3TTI KBI 0.00000018 0.51158 40.824
262 3FHR P4O 0.00001475 0.50902 40.824
263 3OFM 4B0 0.00001022 0.50365 40.824
264 3SXF BK5 0.0000009239 0.45226 40.824
265 3PTG 932 0.0002231 0.44404 40.824
266 4WHZ 3NL 0.00000002884 0.42813 40.824
267 2VZ6 FEF 0.00005912 0.51006 41.1985
268 2WEL K88 0.000001223 0.50396 41.1985
269 5BYZ 4WE 0.0001336 0.49855 41.1985
270 2YAB AMP 0.0005055 0.45372 41.1985
271 3ORK AGS 0.0002831 0.4234 41.1985
272 5EW9 5VC 0.000003996 0.63145 41.573
273 4L3L 5FI 0.00001157 0.54568 41.573
274 4BFM ANP 0.00001421 0.49822 41.573
275 5G1X ADP 0.0001079 0.4861 41.573
276 3E5A VX6 0.000005767 0.48385 41.573
277 5LXM ADP 0.0001151 0.47318 41.573
278 3CY2 MB9 0.0001194 0.44813 41.573
279 5L8L ADP 0.0002805 0.44102 41.573
280 4LOO SB4 0.0000001067 0.61162 41.9476
281 4NFN 2KC 0.0000005927 0.56864 41.9476
282 3HZT J60 0.00002604 0.53383 41.9476
283 5UOX 8GY 0.000001678 0.52709 41.9476
284 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0001917 0.51765 41.9476
285 2JDR L20 0.0001917 0.51765 41.9476
286 5JZJ AN2 0.00003167 0.49701 41.9476
287 4N70 2HX 0.0004238 0.49402 41.9476
288 4I94 ANP 0.00004184 0.49093 41.9476
289 4BTK DTQ 0.0001017 0.48179 41.9476
290 4AUA 4AU 0.00007545 0.48258 42.0195
291 1OUK 084 0.0000009492 0.66406 42.3221
292 5IH9 6BF 0.000003212 0.58038 42.3221
293 4BHN BH9 0.000001823 0.56369 42.3221
294 3MVH WFE 0.0001291 0.49758 42.3221
295 5HQ0 LZ9 0.000001026 0.57471 42.6966
296 5TA6 79D 0.00000003377 0.53857 43.0712
297 5LI1 ANP 0.0000302 0.51228 43.0712
298 2V7O DRN 0.000002785 0.50679 43.0712
299 5LI9 ACP 0.00003189 0.49368 43.0712
300 4X7Q 3YR 0.00009518 0.48305 43.0712
301 4DC2 ADE 0.000001315 0.4804 43.0712
302 3FC2 IBI 0.008196 0.44356 43.0712
303 2ZV2 609 0.0000001 0.64952 43.4457
304 2WEI VGG 0.00000009353 0.63149 43.8202
305 3GC8 B45 0.0000001001 0.5714 43.8202
306 4Y8D 49J 0.00000002398 0.63987 44.1948
307 5N87 N66 0.0000008416 0.6076 44.1948
308 3HMO STU 0.0000003317 0.5801 44.1948
309 4D2S DYK 0.000000205 0.57165 44.1948
310 5KO1 6UY 0.00000101 0.55877 44.1948
311 4YZC STU 0.00001656 0.5486 44.1948
312 5EFQ ADP 0.000005822 0.53593 44.1948
313 2JLD AG1 0.00002823 0.53304 44.1948
314 3ZRM ZRM 0.000006956 0.53256 44.1948
315 3F7Z 34O 0.00001533 0.51761 44.1948
316 3SLS ANP 0.0000007521 0.58346 44.5693
317 3ALN ANP 0.0000007017 0.58199 44.5693
318 3IGO ANP 0.000002574 0.51848 44.5693
319 1XJD STU 0.00001125 0.51313 44.5693
320 4NM5 ADP 0.01361 0.42263 44.5693
321 2Z7R STU 0.000003355 0.55463 44.9438
322 4WNP 3RJ 0.0000001221 0.63551 45.2962
323 1U5R ATP 0.0000025 0.55193 45.3184
324 3AQV TAK 0.00006339 0.49074 45.3184
325 1ZY5 ANP 0.0001974 0.46247 45.3184
326 5AX9 4KT 0.0000006104 0.57861 45.6929
327 4M69 ANP 0.00000551 0.54249 45.6929
328 2WQN ADP 0.00004835 0.51414 45.6929
329 4NW6 2NS 0.000001089 0.46274 45.6929
330 4A4X JUP 0.0000003456 0.60885 45.8781
331 5DH3 5BS 0.000000988 0.5468 46.0674
332 3KMW ATP 0.00003145 0.49727 46.0674
333 2F57 23D 0.000002944 0.56316 46.4419
334 5JGA 6KC 0.00000003504 0.50746 46.4419
335 2X4Z X4Z 0.000002626 0.58274 46.8165
336 3GGF GVD 0.000002602 0.53513 46.8165
337 5HVJ ANP 0.00007987 0.52572 46.8165
338 4JDI ANP 0.00003049 0.50971 46.8165
339 4Y85 499 0.00006954 0.48247 46.8165
340 2J7T 274 0.02491 0.41799 46.8165
341 5W4W 9WG 0.0000002264 0.62628 47.191
342 4I6H 1C8 0.000001101 0.56745 47.191
343 4KBA 1QM 0.0000004704 0.50168 47.191
344 4ITH RCM 0.0002839 0.43654 47.191
345 3H9R TAK 0.00000000991 0.70947 47.5655
346 4KS7 X4Z 0.000002805 0.51073 47.5655
347 4FG8 ATP 0.0002348 0.47059 48.3146
348 4QMN DB8 0.00000007338 0.48112 48.6891
349 5CEO 50D 0.0000005409 0.5809 49.4382
350 5DBX ANP 0.0000444 0.47607 49.4382
351 3DAK ANP 0.000007626 0.51422 49.8127
Pocket No.: 2; Query (leader) PDB : 5H2U; Ligand: 1N1; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 5h2u.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C94 TSF 0.009766 0.41284 1.25
2 5FAL COA 0.03094 0.40852 2.24719
3 5FAL SKT 0.03094 0.40852 2.24719
4 3B5J 12D 0.02153 0.40387 2.46914
5 4AVB CMP 0.0009745 0.45539 2.99625
6 5KR7 6X9 0.009485 0.41298 3.37079
7 2QHS OCA 0.013 0.40635 3.79747
8 2YPI PGA 0.0163 0.40158 4.45344
9 1NE6 SP1 0.003888 0.40224 4.49438
10 5IXG OTP 0.008457 0.42681 5.32544
11 5XDT MB3 0.01188 0.40893 5.61798
12 3ZJX BOG 0.0176 0.41196 6.74157
13 5IQD RIO 0.01834 0.40343 6.74157
14 5IQD GNP 0.01743 0.40343 6.74157
15 5D3X 4IP 0.01073 0.42183 7.18563
16 3B2Q AES 0.02809 0.41413 8.98876
17 3SHR CMP 0.01178 0.40842 8.98876
18 3QH2 3NM 0.02088 0.40455 9.04977
19 5MRH Q9Z 0.00113 0.46314 10.1124
20 4UY1 TJM 0.00211 0.40356 10.687
21 5L2J 70E 0.01155 0.43345 11.2245
22 5L2J 6UL 0.01089 0.43345 11.2245
23 5JAX 6J7 0.008844 0.40265 17.7778
24 1TQP ATP 0.000983 0.41049 19.8502
25 2BWN SIN 0.02752 0.40106 22.8464
Pocket No.: 3; Query (leader) PDB : 5H2U; Ligand: 1N1; Similar sites found: 41
This union binding pocket(no: 3) in the query (biounit: 5h2u.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DJT FMN 0.008417 0.40362 1.37931
2 1YQC GLV 0.01875 0.41677 1.49813
3 1U6R ADP 0.003304 0.41983 1.87266
4 1BC5 ACE ASN TRP GLU THR PHE 0.00158 0.40382 1.87266
5 4MV1 ADP 0.02217 0.40028 2.24719
6 1CLU DBG 0.03432 0.40013 2.40964
7 4UWJ 7L5 0.02404 0.42247 2.62172
8 4UWJ MYA 0.02404 0.42247 2.62172
9 5ECP JAA 0.02803 0.40448 2.62172
10 5ECP MET 0.02803 0.40448 2.62172
11 5ECP ATP 0.02736 0.40409 2.62172
12 5C8W PCG 0.00133 0.41056 2.7972
13 3JU6 ANP 0.0009283 0.40798 2.99625
14 5C5H 4YB 0.01539 0.40276 2.99625
15 2E5A LAQ 0.01785 0.40107 2.99625
16 2I6A 5I5 0.01156 0.40095 2.99625
17 5C1P ADP 0.004689 0.40233 3.37079
18 4EMV 0R9 0.007493 0.40589 3.53982
19 3A5Y KAA 0.0108 0.40706 4.11985
20 4RT1 C2E 0.003808 0.41495 4.46429
21 2Q7D ANP 0.009164 0.41186 4.49438
22 4O4F ATP 0.007016 0.41574 5.24194
23 4O4F IHP 0.007563 0.41574 5.24194
24 3W8X FAD 0.0388 0.40082 5.61798
25 1ERB ETR 0.01422 0.40437 6.01093
26 2WSA MYA 0.0067 0.45979 6.74157
27 2WSA 646 0.0067 0.45979 6.74157
28 5W10 CMP 0.008463 0.40351 6.74157
29 2TPI ILE VAL 0.00537 0.40101 6.9869
30 5TVF CGQ 0.01197 0.40848 7.05882
31 3GGO NAI 0.03645 0.40054 8.2397
32 3GGO ENO 0.03645 0.40054 8.2397
33 5KJW 53C 0.0005227 0.40055 8.61423
34 4RYV ZEA 0.002986 0.40132 9.67742
35 3JVH HHV 0.02348 0.40023 9.83607
36 2YKL NLD 0.003031 0.40638 10.3774
37 5A5W GUO 0.01109 0.42332 10.6719
38 4XYM A12 0.004886 0.41425 11.6105
39 4X6F 3XU 0.02804 0.40264 13.1086
40 5KBF CMP 0.006183 0.40038 14.6067
41 5KJZ PCG 0.006331 0.40515 15.3333
Pocket No.: 4; Query (leader) PDB : 5H2U; Ligand: 1N1; Similar sites found: 39
This union binding pocket(no: 4) in the query (biounit: 5h2u.bio4) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JJE BYS 0.0113 0.40326 1.8018
2 4RIF 3R2 0.008843 0.41773 1.87266
3 2GQR ADP 0.007921 0.40459 2.1097
4 4PZ6 GMP 0.0005391 0.40912 2.24719
5 5J75 6GQ 0.007753 0.40501 2.62172
6 3DNT ATP 0.01655 0.40041 2.62172
7 1HXD BTN 0.01102 0.40006 2.62172
8 5DYO FLU 0.0008361 0.40053 2.75229
9 5TDF ADP 0.007856 0.41059 2.99625
10 1AJ8 COA 0.00983 0.40233 2.99625
11 1HGX 5GP 0.01244 0.40556 3.27869
12 5ML3 DL3 0.02536 0.40607 3.3557
13 1C1X HFA 0.005547 0.4043 3.37079
14 1BW9 PPY 0.007595 0.40326 3.37079
15 4WUJ FMN 0.01165 0.40084 3.40136
16 1Q8A HCS 0.01034 0.41601 4.11985
17 1Y0G 8PP 0.01799 0.41826 4.71204
18 5VNF VAL THR SER VAL VAL 0.0005775 0.43113 4.86891
19 2QK4 ATP 0.004357 0.40061 4.86891
20 1IIU RTL 0.01042 0.40663 5.17241
21 1W96 S1A 0.009991 0.40392 5.61798
22 4BUY F37 0.01812 0.40542 5.83333
23 4O12 2QG 0.04254 0.43123 5.99251
24 3IX8 TX3 0.01659 0.40328 6.35838
25 3B6R ADP 0.008189 0.40393 6.36704
26 4AZW ATP 0.01311 0.40027 6.36704
27 4P25 FUC GAL NAG FUC 0.006816 0.40962 6.74157
28 1QY1 PRZ 0.0123 0.40327 6.89655
29 4CC6 L5Y 0.003062 0.40315 7.11611
30 4N1T 2GD 0.02566 0.4016 7.54717
31 2CBZ ATP 0.0243 0.40107 8.61423
32 1SC6 NAD 0.01843 0.40865 8.98876
33 3FW4 CAQ 0.01546 0.40474 8.98876
34 4UWH JXM 0.00665 0.40587 10.4869
35 2VBU CDP 0.01766 0.40956 11.0294
36 3L9R L9R 0.02208 0.40907 11.2245
37 3L9R L9Q 0.0205 0.40751 11.2245
38 2PAV ATP 0.02199 0.40257 12.3596
39 4TW7 37K 0.0172 0.40253 18.75
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