Receptor
PDB id Resolution Class Description Source Keywords
3TDC 2.41 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF HUMAN ACETYL-COA CARBOXYLASE 2 HOMO SAPIENS BIOTIN MALONYL-COA CARBOXYLASE LIGASE-LIGASE INHIBITOR CO
Ref.: DESIGN, SYNTHESIS, AND STRUCTURE-ACTIVITY RELATIONS SPIROLACTONES BEARING 2-UREIDOBENZOTHIOPHENE AS ACE CARBOXYLASES INHIBITORS. BIOORG.MED.CHEM.LETT. V. 21 6314 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0EU A:3000;
Valid;
none;
ic50 = 13 nM
512.664 C27 H36 N4 O4 S CCNC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TDC 2.41 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF HUMAN ACETYL-COA CARBOXYLASE 2 HOMO SAPIENS BIOTIN MALONYL-COA CARBOXYLASE LIGASE-LIGASE INHIBITOR CO
Ref.: DESIGN, SYNTHESIS, AND STRUCTURE-ACTIVITY RELATIONS SPIROLACTONES BEARING 2-UREIDOBENZOTHIOPHENE AS ACE CARBOXYLASES INHIBITORS. BIOORG.MED.CHEM.LETT. V. 21 6314 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 2X24 - X24 C30 H38 N4 O3 CC(C)(C)OC....
2 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2X24 - X24 C30 H38 N4 O3 CC(C)(C)OC....
2 3K8X - B89 C17 H24 Cl N O4 CC/C(=NOC/....
3 3H0Q - B37 C32 H29 N3 O Cc1ccc2cc(....
4 1UYR - D1L C15 H12 Cl2 O4 C[C@H](C(=....
5 5CTB - 57J C24 H25 N3 O3 Cc1cc(cc2c....
6 5CTE - 57L C24 H34 N4 O3 Cc1cc(cc2c....
7 4WZ8 - 3W7 C22 H25 N5 O2 CC(C)n1c2c....
8 3TVU - B37 C32 H29 N3 O Cc1ccc2cc(....
9 3H0S - B38 C22 H21 N3 O3 Cc1ccc2c(c....
10 3TDC ic50 = 13 nM 0EU C27 H36 N4 O4 S CCNC(=O)Nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0EU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0EU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TDC; Ligand: 0EU; Similar sites found: 446
This union binding pocket(no: 1) in the query (biounit: 3tdc.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IWJ NAD 0.01468 0.44341 0.994036
2 4IA6 EIC 0.0003725 0.48426 1.18443
3 1GNI OLA 0.001309 0.53264 1.19658
4 2OBD PCW 0.009645 0.44307 1.2605
5 2OBD 2OB 0.005349 0.43021 1.2605
6 2HKJ RDC 0.02584 0.41867 1.27932
7 4KCF AKM 0.001181 0.45244 1.32159
8 3NKS ACJ 0.002944 0.49783 1.46751
9 1EWF PC1 0.0001075 0.55971 1.53509
10 4OPC FDA 0.0004188 0.61477 1.54525
11 4OPC PGT 0.0004667 0.61477 1.54525
12 5CX6 CDP 0.009836 0.43333 1.56028
13 2Q6B HR2 0.009497 0.48807 1.5873
14 2ZPA ACO 0.00008345 0.53877 1.63934
15 1QM5 PLP 0.00372 0.43212 1.70604
16 3HOK Q80 0.01448 0.42349 1.71674
17 3UR0 SVR 0.0006551 0.4306 1.74757
18 4QWT ACD 0.002069 0.46089 1.86782
19 2HHP FLC 0.002369 0.45867 1.88679
20 2Q2Y ADP 0.0004047 0.60471 1.90736
21 2Q2Y MKR 0.0004047 0.60471 1.90736
22 2E9L BGC 0.00001736 0.58562 1.91898
23 2E9L PLM 0.00001655 0.58562 1.91898
24 2E9L OLA 0.00001736 0.58562 1.91898
25 2XSU PIE 0.000002148 0.63668 1.92308
26 5FA6 FAD 0.03166 0.41237 1.94175
27 5FA6 NAP 0.03217 0.41237 1.94175
28 5FA6 FMN 0.03166 0.41237 1.94175
29 4NKW PLO 0.006164 0.41777 1.9685
30 2X5W K2B 0.007012 0.42736 2.04545
31 4EI7 GDP 0.03437 0.40729 2.05656
32 3CV2 COA 0.006436 0.45233 2.06767
33 5IJJ I6P 0.03137 0.41167 2.08333
34 2WDA L42 0.005848 0.45713 2.0915
35 3KJS DQ1 0.003445 0.4492 2.11132
36 3KJS NAP 0.002895 0.4492 2.11132
37 5BNW 12V 0.01892 0.42533 2.213
38 4GYW UDP 0.02141 0.41838 2.213
39 1YSL COA 0.004905 0.42885 2.23881
40 4ORM ORO 0.0006007 0.52873 2.24439
41 4ORM 2V6 0.0006007 0.52873 2.24439
42 4ORM FMN 0.0006007 0.52873 2.24439
43 5KDS A2G THR ALA PRO GLY GLY NAG SIA 0.01364 0.44357 2.26415
44 4Y2H SAH 0.000002103 0.66807 2.27273
45 4Y2H 49K 0.0000106 0.66267 2.27273
46 3LSJ COA PLM 0.004221 0.44627 2.27273
47 3LSJ PLM COA 0.006345 0.42432 2.27273
48 4EIL FOL 0.0003317 0.53047 2.29682
49 2W90 6PG 0.0005541 0.49737 2.33546
50 3QCP FAD 0.0002486 0.42339 2.34043
51 4OKS 2T9 0.03694 0.41782 2.37069
52 3HKW IX6 0.002992 0.4357 2.40964
53 5M8T 0TR 0.0119 0.41631 2.46637
54 5J60 FAD 0.001843 0.40803 2.5
55 1XMU ROF 0.001148 0.50173 2.51256
56 1XMY ROL 0.003221 0.42457 2.51256
57 4OMJ 2TX 0.003023 0.46855 2.51799
58 2BVN ENX 0.005079 0.47778 2.54453
59 4DHY S41 0.0000005582 0.64667 2.55864
60 4KVL PLM 0.004331 0.4875 2.57649
61 3I51 6PL 0.0001497 0.55724 2.59259
62 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.002495 0.48786 2.62295
63 3G58 988 0.00303 0.46572 2.62467
64 4QGE 35O 0.01317 0.42903 2.62664
65 3P3G 3P3 0.00001242 0.65383 2.66667
66 3P3G UKW 0.00001242 0.65383 2.66667
67 1SR7 MOF 0.001833 0.4982 2.7027
68 4OAR 2S0 0.001654 0.47208 2.71318
69 4EWN 0VR 0.002673 0.4135 2.7668
70 4M52 M52 0.003249 0.50087 2.7897
71 2PSJ CEI 0.001606 0.50354 2.82132
72 3GWT 066 0.003385 0.48961 2.83286
73 1M13 HYF 0.007291 0.453 2.8481
74 5KOR GDP 0.01025 0.46683 2.87908
75 1OLM VTQ 0.001407 0.49583 2.88714
76 2BL9 CP6 0.002954 0.43675 2.94118
77 1P3D ANP 0.01141 0.44048 2.94737
78 1GQY ACP 0.01511 0.40919 2.94737
79 5EW9 5VC 0.0005767 0.54501 2.95203
80 1K6M AGS 0.01642 0.429 3.00926
81 1G2N EPH 0.002281 0.43335 3.0303
82 2ZKJ ADP 0.02534 0.46403 3.04569
83 2YIV YIV 0.02089 0.40712 3.04878
84 3VHZ SOG 0.006076 0.43184 3.05344
85 2C9E PID 0.02845 0.40878 3.0581
86 3F3E LEU 0.00007537 0.56252 3.08285
87 3IA4 MTX 0.0001155 0.50557 3.08642
88 3IA4 NDP 0.008569 0.40402 3.08642
89 3NRR UMP 0.02236 0.40907 3.1068
90 3R9C ECL 0.002328 0.49895 3.11005
91 3VGL ANP 0.01121 0.44899 3.11526
92 1RV0 NDG 0.00029 0.52238 3.125
93 3E8T UQ8 0.01609 0.45277 3.18182
94 4DOL PLM 0.0001174 0.53804 3.22581
95 2Z7I 742 0.0001164 0.62359 3.23529
96 1YMT DR9 0.00162 0.51053 3.25203
97 2ALG DAO 0.0021 0.44817 3.26087
98 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 0.02848 0.4319 3.29218
99 2NYR SVR 0.003043 0.49621 3.32103
100 4XSU GLC 0.02162 0.4108 3.35052
101 4XSU UDP 0.02162 0.4108 3.35052
102 2FZH DH1 0.01176 0.41135 3.39806
103 3AAQ ARU 0.004103 0.43016 3.39943
104 2WZV FMN 0.002289 0.51204 3.40426
105 1M5B BN1 0.001753 0.54347 3.42205
106 3PXP MYR 0.00004329 0.55479 3.42466
107 3ET3 ET1 0.01725 0.44251 3.42466
108 4ZBR DIF 0.0001967 0.46486 3.43053
109 4ZBR NPS 0.0001871 0.46486 3.43053
110 3LLI FAD 0.00004815 0.56219 3.44828
111 1K7L 544 0.0002028 0.52044 3.47222
112 3SP6 IL2 0.000165 0.51149 3.50877
113 4P6X HCY 0.005244 0.44861 3.52941
114 1XPM CAA 0.01806 0.40392 3.53535
115 1XPM HMG 0.01887 0.40392 3.53535
116 1ZDU P3A 0.001126 0.5246 3.54331
117 2HFP NSI 0.0001723 0.54674 3.5461
118 1RX0 2MC 0.007361 0.43493 3.56234
119 5XDT ZI7 0.004945 0.50134 3.57143
120 1XPK HMG 0.02094 0.41765 3.60825
121 1XPK CAA 0.01821 0.41393 3.60825
122 3KDU NKS 0.0002291 0.56734 3.61011
123 4AG9 COA 0.007523 0.42266 3.63636
124 3T58 FAD 0.00004501 0.57935 3.66089
125 4OYA 1VE 0.000244 0.54288 3.67454
126 2I0G I0G 0.001665 0.48938 3.67454
127 3FUR Z12 0.0004838 0.51961 3.67647
128 1YKI NFZ 0.000164 0.58784 3.68664
129 1YKI FMN 0.0001416 0.58784 3.68664
130 3G9E RO7 0.007206 0.46413 3.69004
131 5BYZ 4WE 0.02839 0.41506 3.73563
132 2P54 735 0.02111 0.43183 3.74532
133 3BEJ MUF 0.0203 0.43776 3.78151
134 3KDJ A8S 0.003163 0.48371 3.79747
135 1MZC BNE 0.04196 0.43088 3.80577
136 4CFP NAG AMU NAG AMV 0.0158 0.43922 3.81232
137 4QJK COA 0.0006819 0.50128 3.82979
138 3LEO GSH 0.003212 0.49437 3.87097
139 2JFZ DGL 0.0014 0.51542 3.92157
140 2JFZ 003 0.001569 0.5048 3.92157
141 5L4L 7OX 0.000609 0.44482 3.94737
142 3WYJ H78 0.00005997 0.59215 3.95257
143 4W97 UCA 0.004764 0.45027 4
144 3LDW ZOL 0.0003521 0.4917 4.0404
145 3LDW IPE 0.01744 0.45178 4.0404
146 1YKJ FAD 0.008302 0.42724 4.06091
147 4U0S ADP 0.01126 0.45053 4.06977
148 5N7O 69Y 0.003277 0.44387 4.0724
149 3B96 MYA 0.001487 0.42523 4.08859
150 3V49 PK0 0.00111 0.52495 4.13534
151 4DR9 BB2 0.01238 0.45425 4.16667
152 5JNN 6LM 0.001836 0.46982 4.21053
153 5IR4 ZPE 0.04449 0.40326 4.21512
154 3GKJ HC3 0.007629 0.40953 4.31034
155 5AZC PGT 0.003142 0.48906 4.33333
156 5LGA 6VH 0.02081 0.42507 4.33333
157 3KFC 61X 0.0005615 0.42622 4.34783
158 1WWZ ACO 0.0001319 0.58987 4.40252
159 4MNS 2AX 0.0002622 0.48806 4.40252
160 1LBT T80 0.0007755 0.54715 4.4164
161 3GN8 DEX 0.003964 0.4758 4.41767
162 5BVE 4VG 0.00003551 0.61755 4.43213
163 1TIQ COA 0.0001599 0.56312 4.44444
164 1BWO LPC 0.001112 0.50068 4.44444
165 2GSQ GBI 0.00726 0.43321 4.45545
166 1EM6 CP4 0.0006252 0.54147 4.46194
167 1EM6 NBG 0.007589 0.42297 4.46194
168 4NE2 SH2 0.0005891 0.54919 4.49102
169 4NE2 ADP 0.0005888 0.5453 4.49102
170 2EV1 OLA 0.00004538 0.58893 4.5045
171 3G4G D71 0.003225 0.46983 4.51306
172 1H9G COA MYR 0.02127 0.44671 4.52675
173 2FXU ATP 0.001706 0.52349 4.53333
174 2PAV ATP 0.0008859 0.50251 4.53333
175 2FXU BID 0.004655 0.41573 4.53333
176 3OV6 MK0 0.0001487 0.58724 4.53401
177 5UGW GSH 0.003582 0.41929 4.57143
178 4V3I ASP LEU THR ARG PRO 0.00145 0.50468 4.66926
179 1M2Z DEX 0.006619 0.42225 4.66926
180 1BOB ACO 0.004085 0.49017 4.6875
181 2WPX ACO 0.0005349 0.50032 4.71976
182 5EY0 GTP 0.000005925 0.66741 4.74453
183 2J07 FAD 0.001612 0.53866 4.7619
184 2XXP DSL 0.00003452 0.66504 4.77387
185 1CMC SAM 0.0001297 0.58089 4.80769
186 4EKQ NPO 0.0004275 0.47587 4.81283
187 4OR7 25U 0.01214 0.44105 4.84848
188 4OR7 NAP 0.003256 0.43589 4.84848
189 2JFN UMA 0.0003345 0.54168 4.91228
190 4YV5 SVR 0.0006837 0.59349 4.91803
191 2C78 PUL 0.00004652 0.58591 4.93827
192 4L1F COS 0.01894 0.43675 4.96084
193 2WCJ M21 0.004914 0.47716 4.96454
194 4DXJ 0M9 0.001029 0.44649 4.97238
195 4DXJ IPE 0.00105 0.446 4.97238
196 3HY9 098 0.04477 0.40966 4.97738
197 2WYV NAD 0.02255 0.41433 4.98084
198 1LAF ARG 0.0006795 0.48268 5.04202
199 4IGH FMN 0.01582 0.46989 5.10753
200 4IGH 1EA 0.01582 0.46989 5.10753
201 4IGH ORO 0.01582 0.46989 5.10753
202 4V24 GYR 0.00594 0.46279 5.12129
203 5DXV NAP 0.002408 0.42539 5.12821
204 4YSX E23 0.02957 0.40928 5.12821
205 1NUS APC 0.009887 0.43747 5.15873
206 1NUS NMN 0.01111 0.43747 5.15873
207 2OBF F83 0.006945 0.42937 5.19031
208 2F99 AKV 0.02229 0.40816 5.22876
209 3S7O LBV 0.02862 0.42097 5.24781
210 1LN1 DLP 0.0000222 0.5571 5.24934
211 2WPF WPF 0.007153 0.44281 5.25253
212 2WPF FAD 0.02424 0.44229 5.25253
213 3IAE D7K 0.0003767 0.51805 5.26316
214 3IX9 MTX 0.0002025 0.47483 5.26316
215 3IX9 NDP 0.003899 0.4439 5.26316
216 1YKD CMP 0.005493 0.44041 5.27638
217 5K52 OCD 0.01484 0.43979 5.28302
218 3MPI GRA 0.003854 0.51064 5.28967
219 1DR1 NAP 0.001105 0.42399 5.29101
220 4QJR PIZ 0.02844 0.41668 5.30612
221 2WPW ACO 0.0003221 0.5391 5.30973
222 2BIF ANP 0.02996 0.4046 5.33049
223 2BIF SIN 0.03962 0.4046 5.33049
224 2XEM SSV 0.01017 0.46018 5.33333
225 2H7C COA 0.00002076 0.64051 5.35055
226 1QG6 NAD 0.006243 0.43106 5.36398
227 1QG6 TCL 0.006243 0.43106 5.36398
228 5LJ0 6XX 0.02956 0.42498 5.38462
229 1ZDT PEF 0.03409 0.4012 5.39419
230 2OKL BB2 0.01602 0.44285 5.40541
231 1DB1 VDX 0.02109 0.41649 5.40541
232 4UMX VVS 0.0007398 0.53883 5.41176
233 3G5K BB2 0.01424 0.43242 5.46448
234 1Y8O ADP 0.0161 0.41149 5.46875
235 4LNU GDP 0.005552 0.46334 5.51181
236 3R1V AZB 0.0001174 0.46311 5.51181
237 3NMV PYV 0.002592 0.41466 5.55556
238 3DZT EAH 0.01205 0.43151 5.61056
239 2CNT COA 0.0000261 0.6072 5.625
240 2R40 EPH 0.0005216 0.48574 5.6391
241 2P1C GG3 0.001442 0.41753 5.64103
242 3TL1 JRO 0.00209 0.49562 5.66038
243 5CSD ACD 0.02865 0.43912 5.66038
244 1QJC PNS 0.007819 0.49274 5.6962
245 2XMY CDK 0.0009609 0.47083 5.7047
246 4ZOM 4Q3 0.004018 0.44353 5.77778
247 1S8G DAO 0.0006263 0.45051 5.78512
248 2GJ3 FAD 0.01913 0.44896 5.83333
249 4HBM 0Y7 0.01281 0.42548 5.83333
250 4GFD 0YB 0.002532 0.47308 5.85366
251 3ANP DAO 0.0183 0.45121 5.88235
252 3ANP DCC 0.02284 0.44244 5.88235
253 4LWU 20U 0.002725 0.40642 5.88235
254 3KO0 TFP 0.001161 0.40714 5.94059
255 4PJT 2YQ 0.02719 0.4323 5.94595
256 5AAV GW5 0.0007649 0.52772 5.95238
257 4EJ1 FOL 0.00007479 0.55309 5.97015
258 4B5P ACO 0.004809 0.47383 6
259 3IPQ 965 0.00178 0.41291 6.00707
260 3WCA FPS 0.01908 0.45055 6.0274
261 3SCM LGN 0.00001677 0.70352 6.06061
262 3G08 FEE 0.0001144 0.59303 6.06061
263 1Q3A NGH 0.0117 0.46236 6.06061
264 3L9R L9R 0.0008026 0.51329 6.12245
265 4DS8 A8S 0.0008713 0.49683 6.12245
266 3L9R L9Q 0.000642 0.44977 6.12245
267 3R5Y F42 0.02217 0.42756 6.12245
268 3WHB DCC 0.01872 0.43566 6.18557
269 4M4Q 21A 0.004779 0.47669 6.22407
270 5NTW 98N 0.02909 0.40604 6.22568
271 3CIP ATP 0.0002043 0.60406 6.25
272 4HIA FMN 0.02391 0.44965 6.25
273 1P0H ACO 0.0001081 0.61829 6.28931
274 1P0H COA 0.0001053 0.61829 6.28931
275 4I4B 1CV 0.00005564 0.60552 6.30841
276 4I4B NAD 0.0001243 0.60552 6.30841
277 3ZJ0 ACO 0.001975 0.45934 6.31068
278 4LA7 A1O 0.001094 0.53439 6.34441
279 3ER9 3AT 0.001334 0.45944 6.39731
280 3B6C SDN 0.003411 0.43465 6.41026
281 3MBG FAD 0.003924 0.49285 6.47482
282 3QP8 HL0 0.0002363 0.47517 6.52174
283 2QHD DAO 0.0005685 0.48381 6.55738
284 4AVB ACO 0.004324 0.49715 6.60661
285 3VRV YSD 0.004005 0.42752 6.64207
286 4DE9 VTP 0.02503 0.42473 6.64336
287 1ZVX FIN 0.02089 0.44278 6.74847
288 4RC8 STE 0.01566 0.43987 6.75676
289 4KOT CE3 0.0002785 0.54662 6.79012
290 5MEX SZZ 0.01154 0.41925 6.8323
291 3AJH BL3 0.0001154 0.47615 6.85484
292 3KXC PLM 0.003318 0.48018 6.96203
293 1T27 PCW 0.00007316 0.6091 7.01107
294 4NB5 2JT 0.00002266 0.59957 7.01754
295 3FAL REA 0.01199 0.45208 7.02479
296 2Q4V ACO 0.0001834 0.54305 7.05882
297 5WRE 7TL 0.0189 0.43367 7.09677
298 5EYP GDP 0.00647 0.45833 7.10059
299 1FBY REA 0.02645 0.40349 7.11297
300 2BJ4 OHT 0.0004198 0.51467 7.14286
301 1FM9 570 0.0007548 0.49161 7.14286
302 3U5S FAD 0.003429 0.48229 7.14286
303 1FM9 9CR 0.01502 0.45251 7.14286
304 4TV1 36M 0.0004811 0.53847 7.17131
305 3UUD EST 0.04866 0.40262 7.17131
306 3O55 FAD 0.00383 0.49293 7.2
307 3HCN CHD 0.04097 0.44017 7.24234
308 2QE4 JJ3 0.000008112 0.65326 7.25806
309 2GTE VA 0.01444 0.44693 7.25806
310 4OAS 2SW 0.001266 0.4564 7.29167
311 5CHR 4NC 0.00002637 0.54549 7.29927
312 2VL8 UDP 0.01958 0.4283 7.32601
313 2VL8 CTS 0.02196 0.4283 7.32601
314 1VPV PLM 0.006605 0.47341 7.33333
315 1GHE ACO 0.0003003 0.55278 7.34463
316 4POJ 2VP 0.01405 0.46364 7.35931
317 4R6W PC 0.04499 0.44654 7.36434
318 2E2R 2OH 0.0001606 0.58349 7.37705
319 1P1M MET 0.0009988 0.5322 7.38916
320 3E2M E2M 0.0005761 0.52938 7.56757
321 1M7G AV2 0.01186 0.40688 7.58294
322 5FAL SKT 0.01537 0.46872 7.58929
323 5FAL COA 0.01537 0.46872 7.58929
324 5ECP MET 0.0005508 0.45117 7.62332
325 5ECP JAA 0.0005508 0.45117 7.62332
326 5ECP ATP 0.0005916 0.45117 7.62332
327 1HBK MYR 0.006005 0.42122 7.86517
328 3IWK NAD 0.02333 0.40424 7.95229
329 3ZKK XYP XYP XYP XYP 0.0164 0.41188 7.99031
330 4WO4 JLS 0.02956 0.45361 8.0292
331 2CB8 MYA 0.008159 0.44536 8.04598
332 5U98 1KX 0.0001044 0.63764 8.08081
333 3DBX PLM 0.005333 0.42194 8.08081
334 4I9B NAD 0.02072 0.42188 8.12379
335 4NAT ADP 0.01652 0.47892 8.125
336 1FCH TYR GLN SER LYS LEU 0.02768 0.41919 8.15217
337 5L2J 70E 0.00002301 0.65708 8.16327
338 5L2J 6UL 0.00002177 0.65708 8.16327
339 2BHW NEX 0.001409 0.46042 8.18966
340 2BHW LUX 0.005487 0.44004 8.18966
341 1RV1 IMZ 0.01412 0.42495 8.23529
342 1XIU REA 0.01445 0.43907 8.26087
343 1YRX FMN 0.00294 0.43247 8.26446
344 5GUE GGS 0.02396 0.41172 8.45921
345 4E5H 0N8 0.01849 0.4496 8.55615
346 3KMR EQN 0.001239 0.49271 8.64662
347 3KMZ EQO 0.000803 0.47103 8.64662
348 4WQ2 3SU 0.000001038 0.70898 8.67052
349 3T6E UQ9 0.00002519 0.64438 8.79121
350 5C1M OLC 0.0004516 0.44195 8.8
351 3HYW DCQ 0.003192 0.46273 8.83721
352 4URN NOV 0.03627 0.40915 8.88889
353 2QZT PLM 0.01748 0.46554 9.00901
354 2VZZ SCA 0.005558 0.50467 9.17431
355 5B4B LP5 0.00002928 0.62984 9.27419
356 4IBF 1D5 0.00003354 0.55057 9.30233
357 1FCZ 156 0.001725 0.4849 9.3617
358 4QJL COA 0.000841 0.47953 9.3617
359 1YOK P6L 0.001432 0.54071 9.375
360 4WZV E40 0.01966 0.43265 9.375
361 1YUC EPH 0.001572 0.51248 9.41177
362 1YDK GTX 0.002609 0.42295 9.45946
363 2PX6 DH9 0.01293 0.44224 9.49367
364 5V13 JH3 0.001772 0.46798 9.72222
365 1DKF BMS 0.000407 0.50442 9.78723
366 3RET PYR 0.003963 0.4672 9.90099
367 3WV1 WHH 0.000842 0.55395 9.94152
368 1N4H REA 0.01291 0.45956 10.0386
369 4HA9 NDP 0.004884 0.45309 10.0402
370 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.00002586 0.59897 10.0418
371 2VCX D26 0.02505 0.41813 10.0503
372 2VCX GSH 0.02505 0.41813 10.0503
373 4IAE 1DX 0.009302 0.447 10.0529
374 3KV8 FAH 0.003306 0.48296 10.0719
375 4EOY ASN ASP TRP LEU LEU PRO SER TYR 0.00004658 0.56649 10.1562
376 1U70 NDP 0.0007333 0.47055 10.2151
377 1U70 MTX 0.0007333 0.47055 10.2151
378 5HGZ ACO 0.0004277 0.53168 10.2881
379 3SE5 ANP 0.003755 0.4814 10.3659
380 1HG4 LPP 0.001021 0.47724 10.3943
381 1OQC FAD 0.003793 0.485 10.4
382 1VGV UD1 0.02788 0.41352 10.4167
383 1XW6 GSH 0.02511 0.46333 10.5505
384 1NQ7 ARL 0.00137 0.49355 10.6557
385 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.003071 0.46099 10.6557
386 5IF4 6AK 0.00004379 0.58327 10.6918
387 2EIX FAD 0.000008586 0.67047 10.6996
388 1N8V BDD 0.001083 0.47653 10.7143
389 5H86 BCO 0.02255 0.43878 10.7143
390 3RUG DB6 0.03213 0.45315 10.7884
391 3D78 NBB 0.004144 0.5124 10.9244
392 4D42 NAP 0.02252 0.43071 10.9929
393 4D42 W0I 0.02252 0.43071 10.9929
394 4IHL 1F5 0.00282 0.48504 11.1111
395 1LNX URI 0.04409 0.40209 11.1111
396 2PRG BRL 0.0009726 0.42731 11.3636
397 1JUV NDP 0.02562 0.41607 11.399
398 2JEV NHQ 0.002905 0.47722 11.4943
399 3OLL EST 0.04924 0.40747 11.6667
400 3RYC GTP 0.008361 0.44694 11.8881
401 3RLF MAL 0.01063 0.44574 12.4514
402 1S17 GNR 0.01577 0.443 12.7778
403 3HUJ AGH 0.00272 0.53839 13.0081
404 2GQT FAD 0.002256 0.46216 13.0597
405 2WG9 OCA 0.0007537 0.46993 13.0769
406 2QZO KN1 0.002383 0.5005 13.5659
407 2QA8 GEN 0.04523 0.40815 13.5659
408 1JR8 FAD 0.01227 0.46291 13.6752
409 4TUZ 36J 0.04183 0.41118 13.7255
410 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.01519 0.42226 13.8158
411 3KRO IPE 0.03408 0.40325 13.8686
412 3KRO DST 0.03408 0.40325 13.8686
413 2VBQ BSJ 0.0000716 0.58592 13.9394
414 4P3H 25G 0.003095 0.50187 13.9896
415 2FT0 ACO 0.01319 0.45689 14.0426
416 1USF FMN 0.001078 0.54886 14.0449
417 1USF NAP 0.001247 0.54886 14.0449
418 1HDR NAD 0.0008646 0.43949 14.3443
419 2LBD REA 0.003755 0.41942 14.6067
420 2OOR TXP 0.04928 0.4143 14.9425
421 4DM8 REA 0.001762 0.47179 14.9813
422 2BCG GER 0.003257 0.44619 15.0485
423 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.00197 0.47652 15.6522
424 3QP4 HL0 0.00009328 0.4772 15.9341
425 2IBZ UQ6 0.001524 0.46778 16.6667
426 3QCJ NX4 0.02376 0.41805 16.7742
427 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.03231 0.45715 17.029
428 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.03389 0.4181 17.0909
429 4KVX ACO 0.00002731 0.63756 17.3077
430 1I1D 16G 0.01989 0.4212 18.0124
431 1YC4 43P 0.04047 0.42188 18.1818
432 4XIZ LPP 0.0002038 0.48656 20
433 3AWJ COA 0.01868 0.43291 21.6418
434 5APJ 76E 0.005945 0.47036 22.9323
435 5APK 76E 0.006161 0.45645 23.0189
436 3QKD HI0 0.00006088 0.53135 23.2044
437 2XCM ADP 0.04617 0.42066 23.3645
438 5MWE TCE 0.003529 0.43142 24.2857
439 2WOR 2AN 0.00001866 0.52702 26
440 1T57 FMN 0.009361 0.41201 26.2136
441 5N8V KZZ 0.00002321 0.54974 28.9855
442 2DYR TGL 0.00002955 0.63895 29.4118
443 2DYS TGL 0.00003286 0.62625 29.4118
444 2DYR PGV 0.02998 0.4263 29.4118
445 2DYS PGV 0.03036 0.41891 29.4118
446 3DCT 064 0.0233 0.42138 33.3333
Pocket No.: 2; Query (leader) PDB : 3TDC; Ligand: 0EU; Similar sites found: 55
This union binding pocket(no: 2) in the query (biounit: 3tdc.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZWS PLM 0.004372 0.4658 1.54799
2 4O8A 2OP 0.03346 0.40289 1.60116
3 1DXY COI 0.03508 0.40185 1.8018
4 9LDT OXM 0.0184 0.4233 1.80723
5 1H0C AOA 0.01927 0.40246 2.04082
6 1GJW GLC 0.01429 0.40846 2.1978
7 1XVV CCQ 0.005988 0.41085 2.20588
8 4WBD ADP 0.01037 0.41487 2.21811
9 1B74 DGN 0.01126 0.41956 2.3622
10 2Q8H TF4 0.01554 0.4196 2.457
11 1QH9 LAC 0.01002 0.40966 2.58621
12 4B9E FAH 0.01117 0.41337 2.65781
13 3L24 GOA 0.006287 0.4392 2.70793
14 3LTW HLZ 0.009119 0.41148 2.85714
15 1RZM E4P 0.01014 0.41531 2.95858
16 1C0I FAD 0.008012 0.41157 3.30579
17 1C0I BE2 0.008012 0.41157 3.30579
18 2BZ1 TAU 0.02138 0.42805 3.57143
19 2B7N NTM 0.004096 0.42082 3.663
20 1RYI GOA 0.03176 0.42641 3.66492
21 1W3R PYR 0.003227 0.44547 3.7037
22 4M5P MLA 0.02448 0.41679 3.9312
23 4RJK PYR 0.01635 0.41181 4.02802
24 3ZPG 5GP 0.01964 0.41452 4.18848
25 1ZK7 FAD 0.01498 0.40092 4.28266
26 1O9U ADZ 0.03569 0.40147 4.57143
27 1XX4 BAM 0.01533 0.4199 4.5977
28 4W6Z ETF 0.002379 0.45178 4.61095
29 1BTN I3P 0.0007897 0.51083 4.71698
30 2VDJ HSE 0.02199 0.40563 4.98339
31 1Y75 NAG 0.003945 0.41071 5.08475
32 2W3L DRO 0.007021 0.43682 5.55556
33 1Y7P RIP 0.009231 0.41124 5.8296
34 3TKA CTN 0.003558 0.48418 6.05187
35 3MAG 3MA 0.005526 0.45054 6.18893
36 1SS4 GSH 0.0438 0.41804 6.53595
37 3F81 STT 0.01202 0.42518 6.55738
38 1JN2 SFP 0.006666 0.47915 6.75105
39 3R51 MMA 0.0115 0.42613 6.875
40 1YOA FMN 0.003186 0.4733 6.91824
41 3S9K CIT 0.001123 0.51565 7.62712
42 1JGS SAL 0.003116 0.47382 7.97101
43 2Q37 3AL 0.002458 0.43026 8.28729
44 1G8S MET 0.01185 0.40644 8.69565
45 2O66 FLC 0.00767 0.40921 9.62963
46 3SQG COM 0.01646 0.42583 10.3943
47 2V5E SCR 0.03579 0.4081 10.8911
48 1GPJ CIT 0.01195 0.40628 11.6337
49 1NU4 MLA 0.003807 0.46908 13.4021
50 2YLD CMO 0.006916 0.41679 14.1732
51 4F8L GAL 0.01561 0.43557 14.4828
52 3SJ0 DXC 0.01509 0.40737 16.9014
53 4JCA CIT 0.01022 0.43663 19.1617
54 1UO4 PIH 0.002167 0.47167 26.4706
55 1UO5 PIH 0.01736 0.43302 26.4706
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