Receptor
PDB id Resolution Class Description Source Keywords
4BCN 2.1 Å EC: 2.7.11.22 STRUCTURE OF CDK2 IN COMPLEX WITH CYCLIN A AND A 2-AMINO-4- HETEROARYL-PYRIMIDINE INHIBITOR HOMO SAPIENS TRANSFERASE-CELL CYCLE COMPLEX CDK-CYCLIN COMPLEX CYCLIN-INHIBITOR STRUCTURE-BASED DRUG DESIGN
Ref.: COMPARATIVE STRUCTURAL AND FUNCTIONAL STUDIES OF 4-(THIAZOL- 5-YL)-2-(PHENYLAMINO)PYRIMIDINE-5-CARBO CDK9 INHIBITORS SUGGEST THE BASIS FOR ISOTYPE SELEC J.MED.CHEM. V. 56 660 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T9N C:1296;
A:1299;
Valid;
Valid;
none;
none;
Ki = 0.012 uM
338.387 C16 H14 N6 O S Cc1c(...
SO4 D:1432;
B:1433;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BCN 2.1 Å EC: 2.7.11.22 STRUCTURE OF CDK2 IN COMPLEX WITH CYCLIN A AND A 2-AMINO-4- HETEROARYL-PYRIMIDINE INHIBITOR HOMO SAPIENS TRANSFERASE-CELL CYCLE COMPLEX CDK-CYCLIN COMPLEX CYCLIN-INHIBITOR STRUCTURE-BASED DRUG DESIGN
Ref.: COMPARATIVE STRUCTURAL AND FUNCTIONAL STUDIES OF 4-(THIAZOL- 5-YL)-2-(PHENYLAMINO)PYRIMIDINE-5-CARBO CDK9 INHIBITORS SUGGEST THE BASIS FOR ISOTYPE SELEC J.MED.CHEM. V. 56 660 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4BCN Ki = 0.012 uM T9N C16 H14 N6 O S Cc1c(sc(n1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4BCN Ki = 0.012 uM T9N C16 H14 N6 O S Cc1c(sc(n1....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4BCN Ki = 0.012 uM T9N C16 H14 N6 O S Cc1c(sc(n1....
2 4BCM Ki = 0.123 uM T7Z C21 H23 N7 O3 S2 Cc1ccc(cc1....
3 5LQF - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
4 4Y72 ic50 = 10 nM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
5 5HQ0 ic50 = 10 nM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
6 4BCQ Ki = 0.147 uM TJF C21 H21 N7 O2 S Cc1c(sc(n1....
7 5LMK - 6ZK C25 H19 Br N6 O c1cc(cnc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T9N; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 T9N 1 1
2 T3E 0.691358 0.6
3 TJF 0.606383 0.614286
4 T3C 0.583333 0.61194
5 T6Q 0.56 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BCN; Ligand: T9N; Similar sites found: 347
This union binding pocket(no: 1) in the query (biounit: 4bcn.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZGP ADP 0.0049 0.41828 2.29008
2 5GZ9 ANP 0.0000000653 0.6608 2.33333
3 3KA2 2NC 0.03801 0.41058 2.46305
4 3AKK ADP 0.0001845 0.48937 2.67176
5 2R85 AMP 0.009733 0.42362 3
6 3DNT ATP 0.001037 0.46195 3.05344
7 3PN1 IVH 0.0008525 0.43191 3.05344
8 3TPV ADE 0.00405 0.42628 3.05344
9 5IH1 GDP 0.02084 0.42355 3.05344
10 5IH1 6BQ 0.02084 0.42355 3.05344
11 5COU ATP 0.0003488 0.47161 3.33333
12 5TT5 NAD 0.002644 0.44408 3.33333
13 2VPQ ANP 0.00065 0.46981 3.43511
14 4GYI ADP 0.0003845 0.46437 3.43511
15 5W2I I3P 0.0006016 0.4733 3.50195
16 5W2I ADP 0.0006016 0.4733 3.50195
17 3WO0 ALA 0.002217 0.46294 3.66667
18 3PDT ADP 0.0002641 0.4746 3.81679
19 4CC6 L5Y 0.0005392 0.44381 3.81679
20 4J7Q B7N 0.01352 0.42121 3.81679
21 1U3D FAD 0.02253 0.40305 3.81679
22 4C5N ACP 0.005749 0.43746 3.98551
23 4C5N PXL 0.00608 0.43746 3.98551
24 4AXD ANP 0.0005214 0.49456 4
25 3UDZ ADP 0.0001976 0.48797 4
26 4O4F ATP 0.008871 0.41866 4.03226
27 4O4F IHP 0.009519 0.41866 4.03226
28 2CFM AMP 0.0001769 0.47301 4.19847
29 2YW2 ATP 0.0009253 0.45855 4.19847
30 4U98 ACP 0.0007297 0.45672 4.19847
31 2IF8 ADP 0.0003283 0.44915 4.19847
32 3ORQ ADP 0.003238 0.43281 4.19847
33 4PZ6 GMP 0.0004245 0.42098 4.33333
34 5I35 ANP 0.000006404 0.55221 4.58015
35 5IGI ZIT 0.004059 0.44972 4.58015
36 5IGI GMP 0.003853 0.44972 4.58015
37 4OUC 5ID 0.0000001878 0.61978 4.66667
38 4OCJ NDG 0.00002056 0.56514 4.66667
39 2R7K AMZ 0.003667 0.44178 4.66667
40 2ZYI STE 0.01961 0.40194 4.96183
41 2PYW ADP 0.00003771 0.52426 5
42 4OCV ANP 0.0000499 0.51606 5
43 5MW8 ATP 0.0004396 0.47792 5.34351
44 1IOW PHY 0.001982 0.46173 5.34351
45 1IOW ADP 0.001982 0.46173 5.34351
46 2V58 LZJ 0.004514 0.45358 5.34351
47 3HAV ATP 0.0002108 0.4438 5.35117
48 1GSA ADP 0.00008864 0.51115 5.66667
49 5NCY 8TK 0.0002897 0.49731 5.72519
50 5VZ0 ADP 0.0003187 0.47343 5.72519
51 4MV1 ADP 0.003043 0.44989 5.72519
52 1CKM GTP 0.00539 0.42233 5.72519
53 3TII ANP 0.0008708 0.4425 6
54 4ANW O92 0.00002108 0.55666 6.10687
55 1PK8 ATP 0.0001029 0.51211 6.33333
56 1E4E ADP 0.00386 0.42726 6.33333
57 5C1P ADP 0.0003812 0.46455 6.48855
58 5C1P DAL DAL 0.001105 0.46238 6.48855
59 3X01 AMP 0.0003826 0.43563 6.48855
60 2Q4W FAD 0.01445 0.41977 6.48855
61 5TDF ADP 0.001344 0.45088 6.66667
62 3ETH ATP 0.003839 0.43116 6.66667
63 3VPD ANP 0.0007142 0.4659 6.76157
64 1S68 AMP 0.001319 0.42198 6.82731
65 4NZN ANP 0.001845 0.47246 6.87023
66 4NZN 2OU 0.001845 0.47246 6.87023
67 1EHI ADP 0.00108 0.45329 6.87023
68 1M0W ANP 0.001751 0.43671 6.87023
69 5FI4 5XV 0.004112 0.43319 6.87023
70 4AZW ATP 0.0001495 0.49598 7
71 4AZT LY2 0.001581 0.42939 7
72 3DLG GWE 0.02542 0.42663 7
73 3T1A 5MA 0.01316 0.40213 7
74 1I7L ATP 0.0001896 0.49738 7.63359
75 1IA9 ANP 0.00002614 0.47486 7.63359
76 3TY5 ATP 0.0008033 0.44276 7.63359
77 3TY5 ADP 0.002363 0.4307 7.63359
78 2HGS ADP 0.001265 0.456 7.66667
79 2BKK ADP 0.00005166 0.50429 7.69231
80 4LRJ ANP 0.002041 0.43597 7.69231
81 1F0X FAD 0.04075 0.40084 8
82 4O1P ANP 0.00000000498 0.70043 8.33333
83 3W0O HY0 0.00003443 0.54268 8.33333
84 3W0O ADP 0.00003443 0.54268 8.33333
85 4PU5 ANP 0.0007491 0.46686 8.66667
86 2Q7D ANP 0.001615 0.45607 8.66667
87 4GLW 0XT 0.003587 0.4105 8.66667
88 3I0O ADP 0.00008145 0.48704 8.77863
89 5DXT 5H5 0.00668 0.41604 8.77863
90 1AUX AGS 0.00009638 0.50015 9
91 2VQD AP2 0.001258 0.45224 9
92 3AIA SAM 0.009464 0.40496 9.00474
93 4Q5H ANP 0.000316 0.44379 9.21053
94 1EWF PC1 0.02949 0.40899 9.33333
95 1W2D 4IP 0.00411 0.43935 9.43396
96 1W2D ADP 0.001151 0.43819 9.43396
97 5DMZ ADP 0.000001074 0.59139 9.54198
98 4ZS4 ATP 0.00008612 0.50492 9.54198
99 3WVR AMP 0.0003122 0.47125 9.54198
100 2AQX ATP 0.00759 0.41705 9.54198
101 2TPI ILE VAL 0.008829 0.4084 9.60699
102 3LXI CAM 0.01309 0.40889 9.92366
103 3VPB ADP 0.00003098 0.53725 9.92908
104 3VPC ADP 0.0001683 0.49574 9.92908
105 3V4S ATP 0.001891 0.4458 10.3053
106 3V4S ADP 0.01545 0.4183 10.3053
107 1ZTH ADP 0.000008385 0.53132 10.4651
108 1ZP9 ATP 0.00002323 0.52329 10.4651
109 3RE4 TO1 0.00002119 0.51339 10.8527
110 1TQP ATP 0.0001072 0.50927 10.9929
111 3TDV GDP 0.00005764 0.51058 11
112 4RDL FUC GAL NDG FUC 0.001384 0.40617 11.0687
113 5TWJ SAM 0.0186 0.40004 11.1111
114 2QK4 ATP 0.0003123 0.45539 11.3333
115 3VOT ADP 0.00008812 0.48669 11.4504
116 5DZT AMP 0.0000989 0.45568 11.4504
117 1T36 ADP 0.00318 0.44333 11.6667
118 4XYM A12 0.0008086 0.4592 11.7391
119 5IQD GNP 0.0003467 0.50216 12
120 5IQD RIO 0.000368 0.50216 12
121 1IHU AF3 0.0148 0.40319 12
122 1IHU ADP 0.016 0.40319 12
123 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 0.007411 0.41577 12.6582
124 5CKW ANP 0.00000221 0.55686 12.6667
125 3K5I ADP 0.001004 0.45687 13.1514
126 3K5I AIR 0.00367 0.44587 13.1514
127 2IO8 ADP 0.00005487 0.52323 13.7405
128 4R78 AMP 0.000007564 0.52536 14.6667
129 1T3Q FAD 0.03281 0.40475 15
130 5K2M ADP 0.0008218 0.4668 15.0943
131 4UWH JXM 0.0008415 0.45139 16.7939
132 2PUL ACP 0.00009282 0.4983 17
133 4WW7 AMP 0.000004063 0.5726 17.1123
134 1BWV CAP 0.01394 0.40095 17.3913
135 4DFU QUE 0.0008844 0.42719 18.0124
136 5C4L 4XR 0.0001448 0.5137 18.3801
137 4OAV ACP 0.000000009292 0.68398 18.6667
138 5LXT ACP 0.002675 0.44044 19.5804
139 5M06 ADP 0.00001103 0.5382 19.9275
140 4CYI ATP 0.000003512 0.57298 20
141 3LQV ADE 0.008282 0.41448 23.0769
142 3Q60 ATP 0.00008075 0.50111 24
143 4BTK DTQ 0.0000008483 0.59618 24.3333
144 4WOV 3SM 0.00001371 0.53067 24.3333
145 5VC5 96M 0.0000000115 0.70814 24.9135
146 5W4W 9WG 0.0000005876 0.63149 25.3333
147 4KBA 1QM 0.000006712 0.57355 25.3333
148 4NFN 2KC 0.000002282 0.57301 25.3333
149 1FFU CDP 0.04104 0.40068 25.4355
150 5KO1 6UY 0.0000004042 0.60791 25.4417
151 3VHE 42Q 0.000001097 0.61611 26
152 5C03 AGS 0.000002829 0.57174 26
153 4XH0 ADP 0.00002299 0.54724 28.6667
154 2CSN CKI 0.00000002116 0.69264 29.2929
155 4IX4 ADP 0.0000002174 0.6301 29.6667
156 4Y0X ADP 0.000003902 0.55901 30.3333
157 3H9R TAK 0.000005437 0.53124 30.3333
158 4EUU BX7 0.000000006607 0.71713 31
159 4IDT T28 0.000000007302 0.68884 31
160 3KRL KRL 0.0000001051 0.64803 31
161 4FL3 ANP 0.00000005688 0.66071 31.3333
162 3PP0 03Q 0.00000005249 0.5124 31.6667
163 3KMW ATP 0.000001882 0.5769 31.7343
164 5T8O 76Z 0.0000000115 0.69045 32.3333
165 5HCY 60D 0.0000001148 0.68694 32.3333
166 4P5Z Q7M 0.0000002182 0.66436 32.3333
167 2OO8 RAJ 0.00002193 0.53781 32.3333
168 5JFS 6K0 0.000000006222 0.74595 32.6667
169 4E93 GUI 0.000000003714 0.74221 32.6667
170 4UAL 3FV 0.00000001793 0.67444 32.6667
171 4YMJ 4EJ 0.000000000807 0.64292 32.6667
172 4Y93 746 0.000002125 0.59338 32.6667
173 5CEO 50D 0.000002495 0.57429 32.6667
174 1U59 STU 0.000000001474 0.72512 32.7526
175 3UIM ANP 0.000000004824 0.70107 33
176 4CLI 5P8 0.0000001051 0.68892 33
177 2R5T ANP 0.0000002699 0.62857 33
178 1VJY 460 0.000000005143 0.73522 33.3333
179 3DLS ADP 0.000000005349 0.69104 33.3333
180 5EOB 5QQ 0.0000007105 0.65883 33.3333
181 4Y8D 49J 0.00000005784 0.65067 33.3333
182 3NW7 LGV 0.00001181 0.58694 33.3333
183 3C1X CKK 0.000004512 0.57044 33.3333
184 1K3A ACP 0.0000007632 0.5881 33.4448
185 3LXK MI1 0.000000004803 0.72659 33.6667
186 5TA6 79D 0.00000006516 0.67149 33.6667
187 4U44 3D9 0.00000003048 0.66366 33.6667
188 3FC2 IBI 0.0001487 0.54762 33.6667
189 4FF8 14S 0.000008062 0.53228 33.6667
190 1JPA ANP 0.00000005455 0.46632 33.6667
191 4AT3 LTI 0.000000053 0.68066 33.7793
192 4YZN 4K5 0.000000001827 0.735 33.7979
193 5NKB 8ZT 0.00000003988 0.70694 34
194 2F2U M77 0.000000007751 0.69063 34
195 5UIU 8CG 0.00000007701 0.67269 34
196 2X2M X2M 0.00000009493 0.65014 34
197 2XVD AS6 0.000000213 0.64878 34
198 2QLU ADE 0.0000005232 0.64485 34
199 4I94 ANP 0.0000005218 0.60276 34
200 4GJ3 0XP 0.000000000325 0.79188 34.3333
201 5HX8 66P 0.0000000005043 0.77127 34.3333
202 4OH4 ANP 0.0000000002762 0.75911 34.3333
203 5LPZ ADP 0.000000000316 0.75638 34.3333
204 5HES 032 0.00000003869 0.66866 34.3333
205 3TKI S25 0.000000001833 0.79218 34.6667
206 3LXN MI1 0.000000001355 0.73433 34.6667
207 5AX9 4KT 0.000000001382 0.72644 34.6667
208 4X7Q 3YR 0.000000001399 0.72619 34.6667
209 1U5R ATP 0.000000007951 0.68712 34.6667
210 2HY0 306 0.0000002016 0.61456 34.6667
211 2Y6O 1N1 0.0000004638 0.6174 34.7079
212 5LPB ADP 0.000000001335 0.69855 34.7973
213 3KRR DQX 0.0000000123 0.76131 34.9153
214 5U6C 7YS 0.00000000109 0.74233 35
215 5MJA 7O3 0.000001131 0.58382 35
216 3SRV S19 0.00000000244 0.71094 35.0181
217 5JGA 6KC 0.00000002078 0.70524 35.3333
218 3V8S 0HD 0.0000001386 0.62948 35.3333
219 4G17 0VN 0.0000008955 0.58849 35.3333
220 5TO8 7FM 0.00000004952 0.69859 35.461
221 4F4P 0SB 0.0000002689 0.68577 35.5311
222 3EKK GS2 0.00000001774 0.71716 35.6667
223 3BU5 ATP 0.000000008555 0.68945 35.6667
224 4E1Z 0MX 0.00000003177 0.67574 35.7388
225 1ZY5 ANP 0.0000007358 0.59583 36
226 3PLS ANP 0.000000003226 0.70531 36.2416
227 3SLS ANP 0.00000004602 0.66508 36.3333
228 5HVJ ANP 0.00000006083 0.55832 36.3333
229 4EWH T77 0.0000001069 0.66104 36.3636
230 4N70 2HX 0.000000009942 0.74784 36.6667
231 3CY2 MB9 0.000000001115 0.74523 36.6667
232 4QMN DB8 0.00000003079 0.70316 36.6667
233 5USZ SKE 0.00000005226 0.67615 36.6782
234 1BYG STU 0.00000001094 0.67671 36.6906
235 4XLI 1N1 0.00000006205 0.64569 36.9403
236 2GU8 796 0.000000007223 0.76413 37
237 1RE8 BD2 0.0000000141 0.73678 37
238 3IDB ANP 0.000000004016 0.71865 37
239 5LI1 ANP 0.000000007529 0.70245 37
240 2PVF ACP 0.000000004211 0.69994 37
241 3FHI ANP 0.00000001515 0.69967 37
242 2QCS ANP 0.00000002189 0.69193 37
243 3RI1 3RH 0.00000003264 0.68352 37
244 1Y57 MPZ 0.00000003438 0.67411 37
245 2H8H H8H 0.00000004925 0.65393 37
246 4U0I 0LI 0.000001541 0.61087 37
247 2PZI AXX 0.00001939 0.52377 37
248 2WQN ADP 0.0001011 0.49094 37
249 4RFM 3P6 0.0000009808 0.64511 37.218
250 5FBN 5WF 0.0000007524 0.63202 37.2694
251 4WB7 ATP 0.00000004951 0.69286 37.3333
252 4K33 ACP 0.00000002361 0.67235 37.3333
253 4A4X JUP 0.00000004691 0.67589 37.6344
254 4WB6 ATP 0.00000001974 0.6941 37.6667
255 3ORK AGS 0.00002858 0.53894 37.6667
256 1OPK P16 0.0000001242 0.66472 38
257 5MY8 RXZ 0.000007691 0.56644 38.3333
258 2A19 ANP 0.00000005191 0.65185 38.3803
259 3GQI ACP 0.000000005855 0.69714 38.6667
260 5UR1 YY9 0.0000003902 0.6583 38.6667
261 3G5D 1N1 0.00000009342 0.70607 38.8112
262 4NW6 2NS 0.0000000009873 0.77065 39
263 5JKG 6LF 0.000001582 0.62111 39
264 3M2W L8I 0.00000001774 0.66289 39.1304
265 2Z7R STU 0.0000000001686 0.63856 39.3333
266 3FHR P4O 0.000000196 0.62914 39.3333
267 4Y85 499 0.000002506 0.57112 39.3333
268 3GNI ATP 0.0000002897 0.53617 39.3333
269 4G31 0WH 0.0000005189 0.63814 39.4649
270 3E8N ATP 0.0000001048 0.69056 39.6667
271 4OTH DRN 0.00000001358 0.69027 39.6667
272 3E8N VRA 0.0004777 0.53595 39.6667
273 5H2U 1N1 0.000001695 0.58213 39.7004
274 4AG8 AXI 0.0000003474 0.6506 40
275 4ASE AV9 0.000001401 0.60666 40
276 5DA3 58V 0.0000004643 0.58779 40
277 4I6H 1C8 0.0000004377 0.55478 40.3333
278 4WNP 3RJ 0.00000000002078 0.7971 40.4181
279 4XV1 904 0.0000001294 0.66806 40.7534
280 5VCV 1N1 0.0000000006868 0.75858 41
281 4M69 ANP 0.000001398 0.59189 41.3333
282 4L9I 8PR 0.0004941 0.46458 41.6667
283 4BHN BH9 0.000000002595 0.721 42
284 3VRY B43 0.0000006894 0.48599 42
285 4TWP AXI 0.000000001224 0.78938 42.0664
286 5N87 N66 0.000000004996 0.7426 42.3333
287 3HMO STU 0.00000001208 0.67868 42.6667
288 4FG8 ATP 0.00000431 0.56878 42.6667
289 4CQE CQE 0.00000009457 0.65022 42.8058
290 3ALN ANP 0.00000005058 0.66003 43
291 3KN5 ANP 0.0000002072 0.61402 43
292 5IH9 6BF 0.0000001613 0.66724 43.3333
293 4CSV STI 0.0000004429 0.62108 43.6364
294 4D2S DYK 0.000000003444 0.69549 43.662
295 4YZC STU 0.0000000003807 0.80075 43.6667
296 3QCQ 3Q0 0.00000008514 0.73503 43.6667
297 5LVP ATP 0.000001228 0.57864 43.6667
298 4BKJ STI 0.00001806 0.54856 43.6667
299 5JZJ AN2 0.000000006836 0.69017 43.771
300 4JR7 GNP 0.000000005953 0.6968 44.3333
301 2V7O DRN 0.000000001763 0.67571 44.3333
302 2OFV 242 0.00000001625 0.71702 44.4043
303 3MVH WFE 0.00000001827 0.70334 44.6667
304 4JDI ANP 0.0000001134 0.64346 44.6667
305 2VZ6 FEF 0.0000004112 0.6004 44.6667
306 4DC2 ADE 0.0000001515 0.54591 44.6667
307 5LI9 ACP 0.00001705 0.48458 44.6667
308 4BFM ANP 0.00000003489 0.66766 45
309 2VN9 GVD 0.00000003769 0.62008 45
310 2WEL K88 0.00000005954 0.58155 45
311 5DBX ANP 0.00002032 0.52284 45
312 5UKL SIX 0.0002272 0.49912 45
313 2X4Z X4Z 0.0000004764 0.64189 45.2703
314 4WNK 453 0.0000009351 0.61951 45.3333
315 2F57 23D 0.000001444 0.57893 45.3333
316 3PVW QRX 0.00002484 0.54392 45.3333
317 5UOX 8GY 0.000000001047 0.74317 45.7565
318 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000001171 0.70223 46
319 2JDR L20 0.0000001171 0.70223 46
320 2XK9 XK9 0.0000001947 0.66316 46
321 3DAK ANP 0.000001598 0.57689 46.2069
322 1XJD STU 0.0000000003188 0.76022 46.3333
323 5DRB 5FJ 0.000007617 0.59671 46.3918
324 3GGF GVD 0.00000001659 0.66837 46.6667
325 2HK5 1BM 0.0000003107 0.62277 46.6667
326 3AQV TAK 0.0000009635 0.59359 46.7391
327 4KS7 X4Z 0.00000004979 0.66643 46.9178
328 2J7T 274 0.00000002249 0.69892 47
329 4F9C 0SX 0.000000466 0.60504 47
330 1PHK ATP 0.000000002805 0.71583 47.3154
331 2ZV2 609 0.00000003729 0.65859 47.651
332 1Q8Y ADP 0.000000009027 0.69541 47.6667
333 4L3L 5FI 0.00000005334 0.68052 47.6667
334 1Q8Y ADE 0.0000003361 0.58082 47.6667
335 3TXO 07U 0.00000006413 0.64129 48
336 2YAB AMP 0.000000224 0.62641 48
337 3C0G 3AM 0.00000005115 0.64184 48.3333
338 3SXS PP2 0.000001033 0.59811 48.5075
339 5X8I SQZ 0.000000008165 0.6904 49
340 4USF 6UI 0.0000007259 0.61341 49
341 3SXF BK5 0.00000991 0.57629 49
342 3IGO ANP 0.000008434 0.47746 49
343 2YAK OSV 0.000001389 0.61107 49.1228
344 5DEY 59T 0.000000139 0.69443 49.1582
345 4IJP 1EH 0.0000000005115 0.75434 49.3333
346 2WU6 DKI 0.000000001334 0.74152 49.3333
347 4C2V YJA 0.0000004188 0.63662 49.8246
348 5DH3 5BS 0.00000009724 0.64662 50
349 3HZT J60 0.000001628 0.56232 50
Pocket No.: 2; Query (leader) PDB : 4BCN; Ligand: T9N; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 4bcn.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I54 1C1 0.01097 0.41723 1.33333
2 2WTX VDO 0.02225 0.4089 4.96183
3 2WTX UDP 0.02122 0.4089 4.96183
4 4HIA FMN 0.02838 0.40161 5.11364
5 4LH7 1X8 0.0004359 0.40065 5.66667
6 2GAG FOA 0.02824 0.41171 7
7 2GAG FAD 0.02824 0.41171 7
8 5TT6 ATP 0.001078 0.45247 7.33333
9 4LA7 A1O 0.01556 0.40316 8.80829
10 1UZD CAP 0.01399 0.40067 9.16031
11 5C4L SIS 0.002132 0.45156 18.3801
12 1FFU FAD 0.02665 0.405 25.4355
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