Receptor
PDB id Resolution Class Description Source Keywords
3V8S 2.29 Å EC: 2.7.11.1 HUMAN RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WI INDAZOLE DERIVATIVE (COMPOUND 18) HOMO SAPIENS KINASE DIMERIZATION MYOSIN TRANSFERASE INHIBITOR TRANSFTRANSFERASE INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED AND STRUCTURE-GUIDED DISCOVERY AND OPTIMIZATION OF RHO KINASE INHIBITORS. J.MED.CHEM. V. 55 2474 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0HD A:501;
B:501;
C:501;
D:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 0.65 uM
280.324 C16 H16 N4 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V8S 2.29 Å EC: 2.7.11.1 HUMAN RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WI INDAZOLE DERIVATIVE (COMPOUND 18) HOMO SAPIENS KINASE DIMERIZATION MYOSIN TRANSFERASE INHIBITOR TRANSFTRANSFERASE INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED AND STRUCTURE-GUIDED DISCOVERY AND OPTIMIZATION OF RHO KINASE INHIBITORS. J.MED.CHEM. V. 55 2474 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
2 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
2 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
3 4UAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 4UAL Ki = 4 nM 3FV C17 H18 Cl N7 O c1ccnc(c1)....
5 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0HD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0HD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V8S; Ligand: 0HD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3v8s.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V8S; Ligand: 0HD; Similar sites found: 331
This union binding pocket(no: 2) in the query (biounit: 3v8s.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OBD ATP 0.004373 0.42058 1.63399
2 4U98 ACP 0.0004575 0.45572 1.70732
3 3VSV XYS 0.008016 0.42714 1.70732
4 2QK4 ATP 0.0006514 0.42554 1.70732
5 1F52 ADP 0.011 0.40191 1.70732
6 3X01 AMP 0.0001597 0.51056 1.78117
7 3V4S ATP 0.0009911 0.41565 1.80879
8 4LH7 1X8 0.0004521 0.48399 1.85759
9 2IO8 ADP 0.0001115 0.43693 1.95122
10 3IES M24 0.01713 0.40903 1.95122
11 3ETH ATP 0.0002507 0.43833 1.97183
12 2GQR ADP 0.000881 0.44312 2.1097
13 2QHS OCA 0.00763 0.41356 2.1097
14 3UOY NAP 0.03437 0.41673 2.19512
15 3UOY FAD 0.03437 0.41673 2.19512
16 2PUL ACP 0.000003116 0.55166 2.267
17 3OV6 MK0 0.009084 0.41749 2.267
18 1E4E ADP 0.001654 0.42006 2.33236
19 2QHV OC9 0.005243 0.42606 2.38095
20 5VZ0 ADP 0.0002512 0.46725 2.43902
21 4ZS4 ATP 0.0001621 0.46066 2.60586
22 3TII ANP 0.0009483 0.42415 2.63158
23 4OCV ANP 0.0002325 0.4548 2.63852
24 1EHI ADP 0.0001565 0.45982 2.65252
25 2IF8 ADP 0.00002634 0.54652 2.68293
26 1U1J MET 0.0169 0.40741 2.68293
27 3BP1 GUN 0.002187 0.44722 2.75862
28 5I35 ANP 0.00000732 0.53524 2.79898
29 2ZB3 NDP 0.01484 0.40614 2.83286
30 3OCP CMP 0.005755 0.41941 2.8777
31 3PDT ADP 0.0004225 0.46235 2.90909
32 5XDT MB3 0.02022 0.40447 2.92208
33 4UWH JXM 0.006456 0.40863 2.99501
34 4NS0 PIO 0.00126 0.46763 3.00752
35 2XZ9 PYR 0.005787 0.43048 3.08642
36 1ZTH ADP 0.000000751 0.60436 3.10078
37 1ZP9 ATP 0.0000004434 0.59736 3.10078
38 2VDF OCT 0.01459 0.40819 3.16206
39 1GSA ADP 0.00004638 0.51204 3.16456
40 2VPQ ANP 0.00004723 0.51168 3.17073
41 2HGS ADP 0.0003137 0.47416 3.17073
42 2Q7D ANP 0.001071 0.45511 3.17919
43 1JIF CU BLM 0.01129 0.40905 3.27869
44 4ME6 ADP 0.007433 0.42513 3.36788
45 4HIA FMN 0.01407 0.41314 3.40909
46 2CFM AMP 0.001672 0.445 3.41463
47 2XG5 EC5 0.0008419 0.46631 3.46821
48 2XG5 EC2 0.0008419 0.46631 3.46821
49 2ET1 GLV 0.0185 0.40628 3.48259
50 3I0O ADP 0.00003649 0.52408 3.53982
51 5MRH Q9Z 0.0004949 0.47618 3.65854
52 3ORQ ADP 0.0003747 0.43911 3.71353
53 3K5I ADP 0.003699 0.40069 3.72208
54 4WW7 AMP 0.000001901 0.57275 3.74332
55 4R78 AMP 0.0005765 0.47294 3.8835
56 1I7L ATP 0.00005742 0.4492 3.8835
57 4XYM A12 0.0007439 0.45095 3.90244
58 3VOT ADP 0.0012 0.42311 3.90244
59 4N9Z V3L 0.009907 0.41031 3.90244
60 3WG3 A2G GAL NAG FUC 0.002553 0.44135 3.93258
61 5ML3 DL3 0.02376 0.40423 4.02685
62 5K8S CMP 0.003834 0.40803 4.05405
63 1IOW PHY 0.001179 0.46345 4.24837
64 1IOW ADP 0.001179 0.46345 4.24837
65 4K39 SAM 0.008603 0.40126 4.32432
66 1ZX5 LFR 0.02627 0.4068 4.33333
67 5IXH OTP 0.01806 0.41479 4.34783
68 4GID 0GH 0.03653 0.40663 4.38144
69 1PK8 ATP 0.00006375 0.4416 4.39024
70 2DTX BMA 0.0144 0.41778 4.54545
71 5IQD RIO 0.00005055 0.53303 4.59016
72 5IQD GNP 0.00004718 0.53303 4.59016
73 4GLW 0XT 0.002438 0.44233 4.59016
74 4OYA 1VE 0.01247 0.4365 4.63415
75 3MTX PGT 0.01528 0.408 4.63576
76 5A5W GUO 0.02689 0.40447 4.74308
77 4LO2 GAL BGC 0.004517 0.43527 4.7619
78 4WVW SLT 0.008924 0.40952 4.86111
79 4IPH 1FJ 0.009341 0.40999 4.87805
80 4CC6 L5Y 0.002612 0.40407 5.03145
81 3G08 FEE 0.02401 0.41659 5.05051
82 3DGY 2GP 0.01946 0.40404 5.15464
83 2R7K AMZ 0.002618 0.44016 5.26316
84 4CYI ATP 0.000002712 0.56309 5.36585
85 3WVR AMP 0.00007951 0.49523 5.36913
86 2R85 AMP 0.01101 0.41353 5.38922
87 3TTM PUT 0.01794 0.40028 5.49133
88 3E9I XAH 0.008426 0.41773 5.60976
89 3HAV ATP 0.00003844 0.45327 5.68562
90 1AUX AGS 0.00002751 0.50027 5.78778
91 1TZD ADP 0.00002775 0.55328 5.81818
92 2PYW ADP 0.0000005358 0.54593 5.85366
93 1M0W ANP 0.002035 0.42625 5.85366
94 4DFU QUE 0.003707 0.43867 5.90062
95 2GQS C2R 0.0005884 0.45583 5.90717
96 2GQS ADP 0.003697 0.41552 5.90717
97 5C4L 4XR 0.00001183 0.55346 5.919
98 5C4L SIS 0.0001916 0.49649 5.919
99 4XMF HSM 0.002226 0.45871 5.97826
100 4O4F IHP 0.0007254 0.46294 6.04839
101 4O4F ATP 0.0006654 0.46294 6.04839
102 3VPD ANP 0.0005519 0.46099 6.04982
103 4GGZ BTN 0.007127 0.4107 6.08696
104 5DZT AMP 0.0004424 0.42466 6.34146
105 3VPC ADP 0.00005821 0.46225 6.38298
106 1W2D ADP 0.000154 0.49432 6.41509
107 5TDF ADP 0.001857 0.43514 6.48148
108 1UPR 4IP 0.02242 0.4077 6.50407
109 4O1P ANP 0.000000217 0.60628 6.58537
110 3UDZ ADP 0.000003952 0.55297 6.58537
111 5MW8 ATP 0.000006066 0.55234 6.58537
112 5W2I ADP 0.0002044 0.48465 6.58537
113 5W2I I3P 0.0002044 0.48465 6.58537
114 2Z49 AMG 0.00861 0.42285 6.58537
115 2Z48 A2G 0.01758 0.40363 6.58537
116 2ZL7 FUC GAL NGA 0.01347 0.41514 6.77966
117 3LVW GSH 0.01171 0.41807 6.82927
118 3TDV GDP 0.00003261 0.49672 6.86275
119 4FE2 AIR 0.001267 0.45074 7.05882
120 4FE2 ADP 0.00755 0.40954 7.05882
121 5C9J STE 0.006986 0.40913 7.07071
122 4IX4 ADP 0.00001468 0.53 7.14286
123 5L2J 70E 0.028 0.42023 7.14286
124 5L2J 6UL 0.03112 0.41667 7.14286
125 5C1P ADP 0.001031 0.42966 7.18954
126 5C1P DAL DAL 0.003621 0.42901 7.18954
127 4GYI ADP 0.0002715 0.47666 7.30479
128 4PU5 ANP 0.0008035 0.41427 7.31707
129 1TQP ATP 0.00006113 0.44553 7.44681
130 4OAV ACP 0.0000006372 0.58218 7.56098
131 3DNT ATP 0.0008933 0.45527 7.56098
132 2AQX ATP 0.0008132 0.41581 7.61246
133 5IXG OTP 0.02832 0.40767 7.69231
134 3R51 MMA 0.01107 0.41632 7.80488
135 4RT1 C2E 0.004355 0.41236 8.03571
136 4MV1 ADP 0.005702 0.42834 8.04878
137 2VQD AP2 0.0001166 0.45911 8.53659
138 4CS4 AXZ 0.007483 0.43545 8.75912
139 4CS4 ANP 0.01259 0.41865 8.75912
140 3PN1 IVH 0.001781 0.40161 8.80503
141 1MDC PLM 0.01 0.40548 9.09091
142 1ULE GLA GAL NAG 0.004176 0.43607 9.33333
143 4AZW ATP 0.0003053 0.47053 10.2439
144 4AZT LY2 0.001966 0.44165 10.2439
145 2YW2 ATP 0.0003681 0.4392 10.2439
146 3ZJX BOG 0.005789 0.4311 10.3806
147 1XVB BHL BHL 0.01515 0.41303 10.7317
148 5K2M ADP 0.0002367 0.48172 11.3553
149 5CKW ANP 0.0000106 0.50373 11.4634
150 4DSU BZI 0.01082 0.42084 12.6984
151 2BKK ADP 0.0005144 0.44106 13.0178
152 3LQV ADE 0.0119 0.40463 13.0435
153 4X6F 3XU 0.009758 0.42503 13.1673
154 1IA9 ANP 0.00002585 0.49229 14.6429
155 2QLU ADE 0.0000005367 0.64478 14.6497
156 4CS9 AMP 0.006971 0.4057 14.8148
157 3OYW TDG 0.01961 0.4022 15.6716
158 5JKG 6LF 0.000001195 0.61127 16.0772
159 5C03 AGS 0.000005981 0.54209 16.6667
160 3VHE 42Q 0.00000005235 0.50224 16.7131
161 4XH0 ADP 0.0000002192 0.65857 17.6179
162 1U72 NDP 0.04426 0.40238 17.7419
163 4FL3 ANP 0.0000001019 0.56289 17.8049
164 4WOV 3SM 0.00001734 0.53212 17.9811
165 5MY8 RXZ 0.0000001807 0.62727 18.2768
166 4KBA 1QM 0.000002159 0.47362 20.2417
167 5LXT ACP 0.000415 0.42222 20.2797
168 5VC5 96M 0.0000001825 0.63201 22.1453
169 2H8H H8H 0.0000006668 0.56685 22.439
170 1Y57 MPZ 0.0000004413 0.52624 22.439
171 5CEO 50D 0.000002493 0.55903 22.6667
172 3VRY B43 0.000001024 0.49668 23.6585
173 2CSN CKI 0.000000006929 0.55932 23.9057
174 3TTI KBI 0.0000007325 0.48683 24.1463
175 4YZC STU 0.000000001396 0.7502 24.1975
176 4Y93 746 0.000002012 0.48501 24.6341
177 4EWH T77 0.0000004907 0.48814 24.7273
178 2WU6 DKI 0.00000003872 0.56673 24.9344
179 1VJY 460 0.00000004706 0.66871 25.0825
180 3GNI ATP 0.0000002581 0.55804 25.1928
181 3KMW ATP 0.0003178 0.46273 25.8303
182 5AWM ANP 0.0000005166 0.6121 25.8883
183 4E93 GUI 0.0000005307 0.46349 25.9947
184 1OUK 084 0.000006952 0.6255 26.5027
185 5GZ9 ANP 0.00000004556 0.64925 26.5574
186 5EKO N17 0.00003849 0.51573 26.6846
187 4LOO SB4 0.000073 0.48093 26.8698
188 3C1X CKK 0.00004176 0.46294 27.0777
189 4IZY 1J2 0.00000003507 0.5932 27.1003
190 3KRL KRL 0.0000005588 0.53142 27.1642
191 4UX9 ANP 0.000000005432 0.62408 27.1978
192 3PTG 932 0.0000001095 0.56545 27.2727
193 4H3P ANP 0.00000003435 0.62197 27.3171
194 5LXC 7AA 0.000000001872 0.67986 27.451
195 2JLD AG1 0.0000000004716 0.53677 27.561
196 5BVE 4VG 0.0000000002957 0.82045 27.8049
197 3H9R TAK 0.0000006086 0.61834 27.8788
198 3GQI ACP 0.00000009166 0.60395 27.9141
199 4P5Z Q7M 0.000001543 0.60594 27.9778
200 3E7O 35F 0.000002019 0.59154 28.0556
201 1CM8 ANP 0.0000003414 0.59418 28.0654
202 5T8O 76Z 0.0000009994 0.53479 28.0802
203 4IDT T28 0.0000004347 0.58953 28.0899
204 3GC8 B45 0.00001388 0.48023 28.1081
205 1U5R ATP 0.000000008781 0.66456 28.1609
206 4U0I 0LI 0.000001885 0.59102 28.254
207 3VPB ADP 0.00001871 0.45738 28.5714
208 4NST ADP 0.00000003521 0.64148 28.7749
209 3UIM ANP 0.0000004864 0.57376 28.8344
210 2B9F ADP 0.00000008847 0.6045 28.8952
211 3PP0 03Q 0.000001606 0.48121 28.9941
212 3GC0 AMP 0.0000008607 0.55565 29.1793
213 5UR1 YY9 0.000001415 0.61405 29.2605
214 4YLL 4E3 0.00000001749 0.66821 29.3629
215 2B9H ADP 0.0000001001 0.62457 29.4618
216 2B9J ADP 0.00000008194 0.62162 29.4618
217 2B9I ADP 0.0000000958 0.60305 29.4618
218 1OPK P16 0.000001513 0.44926 29.5122
219 5HCY 60D 0.000002251 0.60568 29.6073
220 4BTK DTQ 0.000001428 0.56981 29.6736
221 4NM5 ADP 0.0007157 0.48957 29.7082
222 5X8I SQZ 0.000000002308 0.69422 29.7688
223 2PVF ACP 0.00000002542 0.64412 29.9401
224 4ASE AV9 0.0000002422 0.62629 30.0283
225 5LPZ ADP 0.000001271 0.57206 30.1205
226 4K33 ACP 0.00000007169 0.59481 30.1538
227 3HZT J60 0.00000002719 0.67296 30.4878
228 5EFQ ADP 0.00000002515 0.64799 30.5476
229 3NW7 LGV 0.000008965 0.579 30.6189
230 3ZRM ZRM 0.00000005389 0.61334 30.7278
231 5KO1 6UY 0.000002819 0.55359 30.7421
232 4BKJ STI 0.0001314 0.49541 30.7937
233 4CLI 5P8 0.0000009335 0.62434 30.8869
234 4H3Q ANP 0.0000005398 0.52581 30.9392
235 3LXK MI1 0.000000001272 0.57479 31.1927
236 2X2M X2M 0.00000001736 0.58961 31.2102
237 2G30 ALA ALA PHE 0.0001827 0.49598 31.25
238 5BYZ 4WE 0.0000005231 0.61724 31.3218
239 5NKB 8ZT 0.0000008889 0.41163 31.3725
240 3E8N ATP 0.00000007592 0.42668 31.3783
241 3E8N VRA 0.00000007592 0.42668 31.3783
242 3LXN MI1 0.0000000002137 0.67875 31.4465
243 5HX8 66P 0.0000000004177 0.59796 31.457
244 5MJA 7O3 0.000001576 0.55491 31.4754
245 4YMJ 4EJ 0.000000009568 0.72853 31.5789
246 3EKK GS2 0.0000001363 0.45461 31.5961
247 3RI1 3RH 0.00000003821 0.53877 31.6294
248 5EOB 5QQ 0.000003288 0.60915 31.6614
249 3BU5 ATP 0.00000006585 0.62936 31.6993
250 2XVD AS6 0.000002252 0.58336 31.7881
251 1U59 STU 0.000000009427 0.64502 32.0557
252 4QTB 38Z 0.00000004727 0.51638 32.1053
253 5JFS 6K0 0.0000009291 0.61982 32.1429
254 3G5D 1N1 0.00000006316 0.69624 32.1678
255 3IGO ANP 0.00000002547 0.58499 32.1951
256 3SXF BK5 0.00000007973 0.47283 32.1951
257 3KRR DQX 0.000000005698 0.75804 32.2034
258 4BHN BH9 0.00000006848 0.63518 32.3353
259 1JPA ANP 0.0000000767 0.43842 32.3718
260 1K3A ACP 0.0000001088 0.59265 32.4415
261 4AT3 LTI 0.000009196 0.43693 32.4415
262 2OO8 RAJ 0.0002249 0.43767 32.4921
263 1O9U ADZ 0.0000000218 0.73291 32.5714
264 3F7Z 34O 0.00000002149 0.65103 32.5714
265 5DBX ANP 0.00000009474 0.59474 32.622
266 5LPB ADP 0.0000007549 0.54834 32.7703
267 3O0G 3O0 0.00000003548 0.63771 32.8767
268 1UNH IXM 0.00000003004 0.61484 32.8767
269 5TO8 7FM 0.0000006399 0.62601 32.9787
270 2Y6O 1N1 0.00000152 0.5179 32.9897
271 4CSV STI 0.000004003 0.56058 33.0909
272 4AU8 Z3R 0.00000002295 0.67646 33.1081
273 4GJ3 0XP 0.000000008353 0.70185 33.1126
274 4Q5H ANP 0.000003874 0.5354 33.3333
275 4AG8 AXI 0.00000005475 0.46293 33.5443
276 4AUA 4AU 0.0000003411 0.5942 33.5505
277 3PLS ANP 0.0000000458 0.6328 33.557
278 3SRV S19 0.000000003317 0.68328 33.574
279 5U6C 7YS 0.00000429 0.55671 33.6508
280 4Y85 499 0.00004119 0.50202 33.7349
281 4F4P 0SB 0.000009734 0.58987 34.0659
282 2OFV 242 0.000005605 0.57576 34.296
283 5HES 032 0.0000002715 0.61109 34.5277
284 5USZ SKE 0.0000004605 0.61331 34.6021
285 4CFU 2WC 0.00000003388 0.64798 34.9835
286 4BCM T7Z 0.00000007873 0.55896 35.2159
287 4BCQ TJF 0.000008231 0.55487 35.2159
288 2BPM 529 0.000000002749 0.4364 35.2751
289 4BCN T9N 0.0000001386 0.62948 35.3333
290 5H2U 1N1 0.00001421 0.52534 35.5805
291 1BYG STU 0.000000007706 0.6533 35.6115
292 5LMK 6ZK 0.000002851 0.54298 35.6902
293 4TWP AXI 0.00000124 0.61978 35.7934
294 5DA3 58V 0.0000003648 0.61929 35.8491
295 2A19 ANP 0.0000001179 0.64263 35.9155
296 2HK5 1BM 0.000002176 0.5674 35.9259
297 4XLI 1N1 0.0000001999 0.60447 36.194
298 5JGA 6KC 0.0000001789 0.47299 36.5079
299 3HMO STU 0.0000000546 0.62942 36.5497
300 2XMY CDK 0.000000003836 0.76805 36.5772
301 5FBN 5WF 0.000003632 0.58306 36.9004
302 5HQ0 LZ9 0.0000000006841 0.72543 37.0861
303 5TA6 79D 0.0000003936 0.49894 37.9888
304 4CRL C1I 0.0000003613 0.62886 38.9163
305 4L9I 8PR 0.00000000238 0.68967 39.0244
306 1V0O INR 0.000000019 0.61614 39.2361
307 4QMN DB8 0.00000001154 0.70414 39.3548
308 5UOX 8GY 0.00000007502 0.63644 39.4834
309 5N87 N66 0.0000000007092 0.76204 39.9361
310 3SLS ANP 0.00000009831 0.56217 40.1316
311 2VZ6 FEF 0.00000005709 0.64737 40.5751
312 3FC2 IBI 0.002192 0.47644 40.597
313 3SXS PP2 0.0000004473 0.54839 41.0448
314 3ALN ANP 0.0000005356 0.54503 41.2844
315 4FG8 ATP 0.0000000455 0.58989 42.2222
316 2V7O DRN 0.000000000389 0.65633 42.8571
317 2F57 23D 0.0000005214 0.59417 43.2177
318 4WNK 453 0.000000001119 0.74036 43.4146
319 2WEL K88 0.0000001167 0.53424 43.4251
320 4D2S DYK 0.0000002521 0.57473 44.0141
321 4E1Z 0MX 0.00000000103 0.62468 44.3299
322 1ZY5 ANP 0.00000001741 0.6514 44.5545
323 4I6H 1C8 0.000004561 0.53265 44.8052
324 5UKL SIX 0.000000002357 0.71985 45.122
325 3PVW QRX 0.00000000006394 0.62623 45.122
326 2WEI VGG 0.000001744 0.55394 46.3415
327 4WB7 ATP 0.000000002049 0.50338 46.4198
328 4DC2 ADE 0.000000000007075 0.6467 46.7172
329 2VN9 GVD 0.000000001285 0.74902 47.1761
330 1PHK ATP 0.000000003323 0.6909 47.9866
331 2ZV2 609 0.000000002917 0.7191 49.6644
Pocket No.: 3; Query (leader) PDB : 3V8S; Ligand: 0HD; Similar sites found: 9
This union binding pocket(no: 3) in the query (biounit: 3v8s.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GPM AMP 0.02843 0.40529 2.43902
2 4R33 SAH 0.02322 0.40157 3.65854
3 4R33 TRP 0.02322 0.40157 3.65854
4 2FB3 GTP 0.009306 0.4157 3.82353
5 4G8R 96P 0.01819 0.40369 4.78723
6 3PNA CMP 0.01078 0.41072 5.19481
7 1S9D AFB 0.01305 0.40241 7.92683
8 5T2Z 017 0.01765 0.40258 8.08081
9 1KC7 PPR 0.006652 0.42189 10
Pocket No.: 4; Query (leader) PDB : 3V8S; Ligand: 0HD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3v8s.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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