Receptor
PDB id Resolution Class Description Source Keywords
4WOV 1.8 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DO COMPLEXED WITH BMS-066 AKA 2-METHOXY-N-({6-[3-METHYL-7-(MET3 ,5,8,10-TETRAAZATRICYCLO[7.3.0.0, 6]DODECA-1(9),2(6),4,7,111 -YL]PYRIDIN-2-YL}METHY L)ACETAMIDE HOMO SAPIENS KINASE TYK2 PSEUDOKINASE TRANSFERASE-INHIBITOR COMPLEX
Ref.: TYROSINE KINASE 2-MEDIATED SIGNAL TRANSDUCTION IN T LYMPHOCYTES IS BLOCKED BY PHARMACOLOGICAL STABILIZA ITS PSEUDOKINASE DOMAIN. J.BIOL.CHEM. V. 290 11061 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3SM B:901;
A:901;
Valid;
Valid;
none;
none;
ic50 = 72 nM
379.416 C19 H21 N7 O2 CNc1c...
SO4 A:903;
B:902;
B:904;
A:902;
B:903;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
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
4WOV 1.8 Å EC: 2.7.10.2 CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DO COMPLEXED WITH BMS-066 AKA 2-METHOXY-N-({6-[3-METHYL-7-(MET3 ,5,8,10-TETRAAZATRICYCLO[7.3.0.0, 6]DODECA-1(9),2(6),4,7,111 -YL]PYRIDIN-2-YL}METHY L)ACETAMIDE HOMO SAPIENS KINASE TYK2 PSEUDOKINASE TRANSFERASE-INHIBITOR COMPLEX
Ref.: TYROSINE KINASE 2-MEDIATED SIGNAL TRANSDUCTION IN T LYMPHOCYTES IS BLOCKED BY PHARMACOLOGICAL STABILIZA ITS PSEUDOKINASE DOMAIN. J.BIOL.CHEM. V. 290 11061 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 4WOV ic50 = 72 nM 3SM C19 H21 N7 O2 CNc1c2c(c3....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4WOV ic50 = 72 nM 3SM C19 H21 N7 O2 CNc1c2c(c3....
2 5C03 Kd = 15 uM AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5UT4 Kd = 42 uM DQX C27 H28 F2 N6 O c1cc(c2c(c....
2 5USZ Kd = 106 nM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
3 4FVR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 5I4N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 5UT5 - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
6 4FVQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 5UT0 - 35R C19 H23 N7 O2 c1cc2c(cc1....
8 5UT6 Kd = 57.3 uM 8MY C15 H13 N7 O c1cc(ccc1C....
9 5UT2 - 3YT C19 H23 N9 O c1cc(cc(c1....
10 5UT3 - IK1 C12 H11 N3 O2 S c1ccc(cc1)....
11 5UT1 - 7DZ C19 H23 F2 N5 O2 C[C@H]1C(=....
12 4WOV ic50 = 72 nM 3SM C19 H21 N7 O2 CNc1c2c(c3....
13 5C03 Kd = 15 uM AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3SM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3SM 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WOV; Ligand: 3SM; 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: 4wov.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4WOV; Ligand: 3SM; Similar sites found: 339
This union binding pocket(no: 2) in the query (biounit: 4wov.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KJS NAP 0.002126 0.45483 1.57729
2 4BGB ADP 0.005539 0.41988 1.57729
3 5I35 ANP 0.0001586 0.4875 1.89274
4 2VPQ ANP 0.002659 0.44056 1.89274
5 4OCV ANP 0.003424 0.42971 1.89274
6 4OCJ NDG 0.01369 0.42308 1.89274
7 4MO2 FAD 0.02594 0.41093 1.90217
8 4MO2 FDA 0.02534 0.41049 1.90217
9 3RG9 WRA 0.03169 0.40646 2.08333
10 3TY5 ATP 0.004405 0.41226 2.2082
11 3RJ5 NAD 0.02731 0.40978 2.2082
12 3N0S ACO 0.0313 0.40483 2.23881
13 4R78 AMP 0.0006626 0.44323 2.26537
14 3PDT ADP 0.0002203 0.47824 2.52366
15 2PUL ACP 0.0002664 0.47704 2.52366
16 2Q7D ANP 0.001592 0.45637 2.52366
17 4LH7 1X8 0.002371 0.43799 2.52366
18 2V6G NAP 0.006474 0.43365 2.52366
19 2V58 LZJ 0.01145 0.43283 2.52366
20 3PN1 IVH 0.001631 0.42341 2.52366
21 4DFU QUE 0.009175 0.41448 2.52366
22 2QK4 ATP 0.003018 0.41146 2.52366
23 4O4F IHP 0.01608 0.40756 2.82258
24 4O4F ATP 0.01502 0.40756 2.82258
25 3AKK ADP 0.003078 0.43189 2.83912
26 3DNT ATP 0.01615 0.40455 2.83912
27 4DV8 0LX 0.03458 0.40061 2.83912
28 5C1P ADP 0.01451 0.40013 2.83912
29 1PK8 ATP 0.002038 0.44954 2.8436
30 1I7L ATP 0.001622 0.45261 2.91262
31 2FZH DH1 0.02463 0.41481 2.91262
32 4LI4 AMP 0.0004496 0.44645 2.94118
33 2CSN CKI 0.02334 0.42534 3.0303
34 3RE4 TO1 0.0006319 0.4484 3.10078
35 5TT5 NAD 0.003329 0.43925 3.15457
36 3VOT ADP 0.001874 0.42727 3.15457
37 3KAL ADP 0.01057 0.42429 3.15457
38 4DP3 NDP 0.03683 0.40824 3.15457
39 4DP3 MMV 0.03683 0.40824 3.15457
40 3HAV ATP 0.0005818 0.42684 3.34448
41 4O1P ANP 0.00002901 0.52451 3.47003
42 4BTK DTQ 0.0001512 0.49101 3.47003
43 3WVR AMP 0.004993 0.41569 3.47003
44 3K5I AIR 0.02591 0.40367 3.47395
45 3K5I ADP 0.01406 0.40256 3.47395
46 4NFN 2KC 0.0003904 0.46934 3.55987
47 1IOW PHY 0.01018 0.42626 3.59477
48 1IOW ADP 0.01018 0.42626 3.59477
49 1ZIN AP5 0.03852 0.4021 3.68664
50 2W9S NDP 0.02076 0.40349 3.72671
51 4OAV ACP 0.00004737 0.51186 3.78549
52 5AWM ANP 0.00003914 0.50226 3.78549
53 4ANW O92 0.006218 0.43452 3.78549
54 5W2I I3P 0.01344 0.40841 3.89105
55 5W2I ADP 0.01344 0.40841 3.89105
56 4WHZ 3NL 0.0003942 0.51096 4.10095
57 3PTG 932 0.00001712 0.51058 4.10095
58 3X01 AMP 0.000426 0.48336 4.10095
59 4GYI ADP 0.001037 0.44464 4.10095
60 2D3M COA 0.01645 0.401 4.10095
61 5DZT AMP 0.002348 0.40074 4.10095
62 4LRJ ANP 0.0005197 0.46356 4.14201
63 1ZP9 ATP 0.0002823 0.47327 4.26357
64 1ZTH ADP 0.0002027 0.46999 4.26357
65 2B9F ADP 0.0000263 0.5265 4.4164
66 2B9H ADP 0.00003582 0.52283 4.4164
67 4IZY 1J2 0.000002527 0.50467 4.4164
68 4UX9 ANP 0.00002877 0.46739 4.4164
69 2B9I ADP 0.00007513 0.46602 4.4164
70 3ORQ ADP 0.005062 0.42362 4.4164
71 3ETH ATP 0.004515 0.4278 4.50704
72 5IGI ZIT 0.01549 0.42036 4.65116
73 5IGI GMP 0.01477 0.42036 4.65116
74 1XDN ATP 0.009015 0.40381 4.69314
75 2WU6 DKI 0.00000045 0.62075 4.73186
76 3E7O 35F 0.0001559 0.5137 4.73186
77 2IO8 ADP 0.005395 0.42752 4.73186
78 4MV1 ADP 0.0122 0.41999 4.73186
79 5VZ0 ADP 0.005252 0.41688 4.73186
80 4EN4 GT1 0.03705 0.40204 4.80769
81 4EN4 ATP 0.03705 0.40204 4.80769
82 4EN4 GT0 0.03705 0.40204 4.80769
83 1CKM GTP 0.001024 0.43056 4.84848
84 5IQD GNP 0.0008637 0.48229 4.91803
85 5IQD RIO 0.0009143 0.48229 4.91803
86 2PYW ADP 0.0001506 0.49582 5.04732
87 2VQD AP2 0.001035 0.45626 5.04732
88 4XYM A12 0.005637 0.41952 5.04732
89 3DLG GWE 0.04126 0.41531 5.04732
90 4CC6 L5Y 0.001706 0.42378 5.36278
91 1IHU ADP 0.01235 0.4086 5.36278
92 5ML3 DL3 0.03332 0.40344 5.36913
93 4L2I NAD 0.04482 0.40377 5.49133
94 3ZJX BOG 0.003251 0.44225 5.53633
95 3TDV GDP 0.000402 0.43978 5.55556
96 5GZ9 ANP 0.000007472 0.56246 5.57377
97 5K2M ADP 0.0009581 0.4636 5.66038
98 4CNK FAD 0.01581 0.42192 5.67823
99 2BL9 NDP 0.009971 0.43004 5.88235
100 2BL9 CP6 0.009971 0.43004 5.88235
101 3TTI KBI 0.00002622 0.43296 5.99369
102 1W2D ADP 0.009114 0.40549 6.03774
103 4AZT LY2 0.0002115 0.46959 6.30915
104 4AZW ATP 0.01345 0.40347 6.30915
105 4CYI ATP 0.00008179 0.50836 6.62461
106 5CKW ANP 0.0007306 0.44559 6.65188
107 1TQP ATP 0.0001414 0.41981 6.73759
108 5TDF ADP 0.002931 0.43486 6.94006
109 5M06 ADP 0.00003724 0.51384 7.24638
110 3CRZ FAD 0.01679 0.40056 7.393
111 5C4L 4XR 0.0007761 0.4778 7.47664
112 5C4L SIS 0.002167 0.45583 7.47664
113 2CDO GAL AAL GAL AAL GAL AAL 0.01435 0.41619 7.5
114 3V4S ATP 0.01202 0.40752 7.57098
115 4OUC 5ID 0.00004161 0.51162 8.12325
116 1IA9 ANP 0.0005 0.42522 8.21429
117 1AOE GW3 0.0321 0.4071 8.33333
118 1AOE NDP 0.0321 0.4071 8.33333
119 2CFM AMP 0.006156 0.41352 8.51735
120 4EIL NDP 0.01424 0.41287 9.14826
121 5MW8 ATP 0.0001849 0.4959 9.46372
122 4ZS4 ATP 0.0002577 0.48255 9.46372
123 3UDZ ADP 0.00002751 0.52822 9.53347
124 4WW7 AMP 0.0000765 0.51202 9.57854
125 4IX4 ADP 0.0002405 0.48622 9.71429
126 5MY8 RXZ 0.00001966 0.54678 9.77918
127 4Q5H ANP 0.000743 0.4587 10.2564
128 3PE2 E1B 0.0000008624 0.64521 11.3565
129 3OFM 4B0 0.00000188 0.57017 11.6719
130 1CM8 ANP 0.0001801 0.48493 11.6719
131 4FG8 ATP 0.0005476 0.46932 11.746
132 5LXC 7AA 0.00001525 0.53171 11.9874
133 3GC8 B45 0.00003615 0.45577 11.9874
134 2PVN P63 0.000005277 0.58067 12.3028
135 1OUK 084 0.001378 0.51259 12.3028
136 4LOO SB4 0.00257 0.4335 12.3028
137 3VPB ADP 0.0001689 0.50172 12.4113
138 3VPC ADP 0.001002 0.40321 12.4113
139 5BYZ 4WE 0.0005759 0.48418 12.6183
140 4IJP 1EH 0.0001021 0.5038 13.2492
141 4QTB 38Z 0.000001097 0.61399 13.8801
142 4H3P ANP 0.0000004147 0.6107 13.8801
143 4H3Q ANP 0.000002304 0.58688 13.8801
144 5BVE 4VG 0.00008063 0.55746 13.8801
145 4JR7 GNP 0.000005887 0.55687 13.8801
146 4AUA 4AU 0.00006003 0.50709 14.0065
147 1PHK ATP 0.0001321 0.49619 14.094
148 4USF 6UI 0.000003463 0.58083 14.4737
149 3GNI ATP 0.0000005061 0.61275 14.511
150 2XK9 XK9 0.02158 0.43681 14.8265
151 5VCV 1N1 0.00000414 0.57711 15.1125
152 3Q60 ATP 0.0005328 0.46306 15.4574
153 4G31 0WH 0.0006702 0.48381 16.0535
154 5LPB ADP 0.0000002251 0.60022 16.2162
155 5X8I SQZ 0.00005914 0.51006 16.4038
156 1U5R ATP 0.02883 0.40762 16.7192
157 4NST ADP 0.000007692 0.55144 17.3502
158 1Q8Y ADP 0.0003112 0.48093 17.3502
159 1Q8Y ADE 0.000257 0.459 17.3502
160 1ZY5 ANP 0.00001488 0.53522 17.4917
161 4WNK 453 0.001179 0.46739 17.6656
162 3V8S 0HD 0.00001734 0.53212 17.9811
163 5DMZ ADP 0.0002809 0.44692 18.612
164 4Y0X ADP 0.0002003 0.48014 18.9274
165 2PZI AXX 0.0006347 0.4544 18.9274
166 3M2W L8I 0.000385 0.46434 19.0635
167 5JZJ AN2 0.00004855 0.51137 19.5286
168 4Y85 499 0.0000296 0.52134 19.8738
169 2V7O DRN 0.0000543 0.48678 19.8738
170 4YZC STU 0.00002727 0.55749 20.1893
171 3FHR P4O 0.00007631 0.46187 20.1893
172 5UKL SIX 0.00263 0.44735 20.1893
173 3PVW QRX 0.0002097 0.4027 20.1893
174 2VZ6 FEF 0.0004247 0.46239 20.4473
175 2ZV2 609 0.00002483 0.52601 20.4698
176 4YLL 4E3 0.0001005 0.50853 20.5047
177 3TXO 07U 0.00008781 0.49666 20.5047
178 3CY2 MB9 0.00004938 0.52329 20.7006
179 4N70 2HX 0.00002914 0.56924 20.8202
180 4IDT T28 0.000007689 0.54852 20.8202
181 3KN5 ANP 0.0002993 0.46935 20.8202
182 2WEL K88 0.0001216 0.45212 20.8202
183 4L9I 8PR 0.001812 0.43837 20.8202
184 4X7Q 3YR 0.00009114 0.46317 20.8333
185 4C2V YJA 0.000002112 0.60215 21.0526
186 4EUU BX7 0.000001717 0.60014 21.4511
187 4C2W ANP 0.000005499 0.53888 21.5054
188 5EYK 5U5 0.0000003481 0.63608 21.7391
189 3ALN ANP 0.000001851 0.58614 21.7666
190 4OTH DRN 0.000005837 0.56513 21.7666
191 2VN9 GVD 0.00003946 0.49383 21.9269
192 4Y8D 49J 0.00001342 0.49813 22.3975
193 2YAB AMP 0.0002579 0.48254 22.3975
194 4L3L 5FI 0.00006842 0.52805 22.6974
195 2GU8 796 0.00001363 0.59307 22.7129
196 3C0G 3AM 0.0000125 0.5325 22.7129
197 4WB6 ATP 0.0001383 0.5078 22.7129
198 4CRL C1I 0.0002769 0.50286 22.7129
199 3DAK ANP 0.0003137 0.47116 22.7586
200 3HMO STU 0.000001586 0.58035 23.0284
201 1RE8 BD2 0.00005476 0.5528 23.0284
202 2QCS ANP 0.00009775 0.5151 23.0284
203 3IDB ANP 0.0001202 0.50484 23.0284
204 3FHI ANP 0.0001666 0.50388 23.0284
205 2R5T ANP 0.0001272 0.44086 23.0284
206 5T8O 76Z 0.00007098 0.45217 23.2092
207 5N87 N66 0.000004114 0.59699 23.3227
208 2Z7R STU 0.0000009533 0.60253 23.3438
209 4OH4 ANP 0.0000001134 0.63701 23.4234
210 5LPZ ADP 0.0000002393 0.62185 23.7952
211 2JLD AG1 0.0000008623 0.6272 23.9748
212 3F7Z 34O 0.000001501 0.58459 23.9748
213 3ZRM ZRM 0.000004238 0.56354 23.9748
214 3VHE 42Q 0.00001468 0.42559 23.9748
215 1VJY 460 0.000001368 0.61536 24.2902
216 3E8N ATP 0.01812 0.44871 24.2902
217 3E8N VRA 0.01812 0.44871 24.2902
218 4BCN T9N 0.00001371 0.53067 24.3333
219 4CFU 2WC 0.000001065 0.56713 24.4224
220 2XMY CDK 0.00001406 0.60032 24.4966
221 5LMK 6ZK 0.000001352 0.58024 24.5791
222 4BCM T7Z 0.0000014 0.5458 24.5847
223 4BCQ TJF 0.0001286 0.47886 24.5847
224 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0004586 0.51422 24.6057
225 2JDR L20 0.0004586 0.51422 24.6057
226 2YAK OSV 0.00006022 0.53077 24.9123
227 4NM5 ADP 0.03756 0.41011 24.9337
228 5DH3 5BS 0.000003608 0.57243 25.3968
229 5A6N U7E 0.00006218 0.51157 25.4417
230 4D2S DYK 0.0000122 0.53299 25.7042
231 3H9R TAK 0.0001695 0.46905 25.8675
232 5L8L ADP 0.00001953 0.51525 25.9649
233 5G1X ADP 0.0000997 0.49686 25.9649
234 5LXM ADP 0.00001382 0.5367 26.1484
235 3QCQ 3Q0 0.00001246 0.61706 26.2821
236 5LVP ATP 0.0000597 0.50141 26.3666
237 5TA6 79D 0.000000492 0.62877 26.4984
238 4G17 0VN 0.0001979 0.48038 26.8139
239 5DEY 59T 0.000002598 0.62831 26.936
240 2QLU ADE 0.0002475 0.405 27.0701
241 1XJD STU 0.000002508 0.57711 27.1293
242 4NW6 2NS 0.000004557 0.43377 27.1293
243 3IGO ANP 0.0002027 0.43096 27.1293
244 4A4X JUP 0.0000003978 0.63091 27.2401
245 5EW9 5VC 0.000124 0.57053 27.3063
246 5IH9 6BF 0.00009521 0.52885 27.4448
247 5W4W 9WG 0.0003587 0.49431 27.4448
248 3SXF BK5 0.0004852 0.49217 27.4448
249 4KBA 1QM 0.000195 0.40402 27.4448
250 3E5A VX6 0.000001328 0.48046 27.6119
251 4I6H 1C8 0.00001069 0.54476 27.9221
252 5EFQ ADP 0.000005824 0.55709 28.0757
253 2RIO ADP 0.00005873 0.50753 28.3912
254 5DBX ANP 0.0001689 0.48073 28.3912
255 3AQV TAK 0.00002014 0.53191 28.6232
256 4F9C 0SX 0.00003213 0.51969 28.7066
257 3DLS ADP 0.00006735 0.50197 29.0221
258 3HZT J60 0.0002731 0.46411 29.0221
259 3TKI S25 0.000001123 0.64725 29.3375
260 2HY0 306 0.000007816 0.54184 29.3375
261 5LI1 ANP 0.00001279 0.54894 30.2839
262 4DC2 ADE 0.00001713 0.46804 30.2839
263 5LI9 ACP 0.0001185 0.44896 30.2839
264 1UNH IXM 0.000002402 0.5653 30.4795
265 3O0G 3O0 0.00001676 0.53281 30.4795
266 2WEI VGG 0.00003261 0.51649 30.662
267 4AU8 Z3R 0.0001199 0.48155 30.7432
268 4BHN BH9 0.0000002992 0.62354 30.9148
269 3SLS ANP 0.0000005399 0.61426 30.9211
270 5AX9 4KT 0.000002143 0.57738 31.4935
271 3ORK AGS 0.00005547 0.52505 31.5113
272 3C1X CKK 0.001466 0.45105 31.5457
273 2WQN ADP 0.0001042 0.49034 31.6129
274 2X4Z X4Z 0.00001878 0.56247 31.7568
275 2F57 23D 0.0000006057 0.59632 31.8612
276 4BFM ANP 0.00002288 0.53451 31.8612
277 1V0O INR 0.00001835 0.48708 31.9444
278 5DRB 5FJ 0.001107 0.48587 32.3024
279 5JGA 6KC 0.000002144 0.60572 32.381
280 2A19 ANP 0.000002852 0.57014 32.3944
281 5HVJ ANP 0.0001538 0.50384 32.6984
282 4XH0 ADP 0.00003683 0.53703 32.8076
283 5HES 032 0.00001061 0.5528 32.899
284 4QMN DB8 0.000004168 0.59671 32.9032
285 2X2M X2M 0.0000001364 0.64266 33.121
286 5HCY 60D 0.000005074 0.60305 33.123
287 4U44 3D9 0.00003387 0.52137 33.1325
288 4XV1 904 0.000003403 0.59763 33.5616
289 5CEO 50D 0.00001527 0.53753 34
290 4ASE AV9 0.000002968 0.59079 34.0694
291 2XVD AS6 0.000004022 0.58643 34.106
292 4AG8 AXI 0.0000007569 0.42945 34.1772
293 3GGF GVD 0.000002543 0.56759 34.5515
294 3GC0 AMP 0.000004089 0.55472 34.7003
295 3UIM ANP 0.00000461 0.56183 35.0158
296 3PLS ANP 0.00000869 0.54605 35.2349
297 4P5Z Q7M 0.0000002929 0.65793 35.3312
298 4YZN 4K5 0.000001829 0.59167 35.5401
299 1BYG STU 0.000001273 0.58145 35.6115
300 4KS7 X4Z 0.000004984 0.48506 35.6164
301 5UOX 8GY 0.0000004022 0.62034 35.7934
302 4U0I 0LI 0.00001353 0.5644 35.873
303 3MVH WFE 0.00001933 0.55498 35.9621
304 5UR1 YY9 0.0000008949 0.63997 36.0129
305 3KRL KRL 0.0000009758 0.60204 36.5931
306 5KO1 6UY 0.00001908 0.5302 37.1025
307 5JKG 6LF 0.00002853 0.55798 37.299
308 4M69 ANP 0.000005803 0.56267 37.4558
309 4YMJ 4EJ 0.0000001196 0.66457 37.8289
310 4JDI ANP 0.00000961 0.55232 37.8549
311 3KMW ATP 0.000005554 0.55508 38.0074
312 3RI1 3RH 0.00002195 0.54653 38.0192
313 1U59 STU 0.000001603 0.53566 38.3275
314 4BKJ STI 0.0003971 0.48382 38.4127
315 4CQE CQE 0.0001422 0.49922 38.4892
316 4I94 ANP 0.00000949 0.54428 38.6667
317 4WNP 3RJ 0.0000009908 0.58291 38.676
318 1JPA ANP 0.000009077 0.41395 38.7821
319 2OO8 RAJ 0.00973 0.4119 39.4322
320 5JFS 6K0 0.0000005664 0.64689 39.9351
321 3PP0 03Q 0.00001395 0.4427 40.0631
322 4AT3 LTI 0.000003669 0.59038 40.1338
323 2Y6O 1N1 0.000001256 0.59683 40.2062
324 4CLI 5P8 0.0000001669 0.67866 40.3785
325 4FF8 14S 0.00005299 0.49659 41.0095
326 3BU5 ATP 0.000002065 0.57812 41.1765
327 3NW7 LGV 0.00002701 0.56854 41.3681
328 5NKB 8ZT 0.0000005432 0.41381 41.5033
329 3EKK GS2 0.00000007048 0.68714 41.6938
330 5UIU 8CG 0.000001791 0.60565 42.2713
331 5HQ0 LZ9 0.0000005373 0.61153 42.3841
332 1K3A ACP 0.000001358 0.57665 42.4749
333 3GQI ACP 0.000008533 0.54934 42.5868
334 5EOB 5QQ 0.000009328 0.60057 44.4795
335 2PVF ACP 0.00003362 0.51878 45.7413
336 5MJA 7O3 0.0003079 0.47153 46.0568
337 2B9J ADP 0.00006277 0.50619 46.1538
338 4K33 ACP 0.00005345 0.51466 47.0032
339 5U6C 7YS 0.000001781 0.58963 47.3016
Pocket No.: 3; Query (leader) PDB : 4WOV; Ligand: 3SM; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 4wov.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KJS DQ1 0.02956 0.41338 1.57729
2 2WYA HMG 0.03071 0.40349 1.57729
3 2VNI A2P 0.01639 0.42397 1.83824
4 2VNI FAD 0.01639 0.42397 1.83824
5 4UWH JXM 0.007745 0.4111 1.89274
6 1EE0 CAA 0.0208 0.40719 2.52366
7 3D91 REM 0.03404 0.42329 2.83912
8 3BW2 FMN 0.02974 0.42832 2.98103
9 3NKS ACJ 0.008755 0.41071 3.15457
10 2QV6 GTP 0.003556 0.43915 3.35821
11 4Z24 FAD 0.04257 0.40669 3.47003
12 1FEC FAD 0.04588 0.40809 3.78549
13 3AWJ COA 0.01208 0.4079 3.78549
14 3GGO NAI 0.03209 0.41238 3.82166
15 3GGO ENO 0.03209 0.41238 3.82166
16 4ZGP ADP 0.01323 0.40212 4.77816
17 1PN0 IPH 0.04334 0.4109 5.04732
18 1PN0 FAD 0.04201 0.4109 5.04732
19 3PC3 P1T 0.04021 0.41041 5.36278
20 1IHU AF3 0.01792 0.40302 5.36278
21 1N07 FMN 0.03041 0.40484 5.52147
22 5FI4 5XV 0.01851 0.40546 5.67823
23 2AKO ADP 0.01024 0.40746 6.3745
24 5CFQ 1SY 0.03659 0.40068 8.02139
25 4C3Y FAD 0.02512 0.41801 9.77918
26 5EKO N17 0.01843 0.40402 11.6719
27 3QFA FAD 0.04425 0.40578 20.6897
Pocket No.: 4; Query (leader) PDB : 4WOV; Ligand: 3SM; 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: 4wov.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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