Receptor
PDB id Resolution Class Description Source Keywords
4O08 1.95 Å EC: 3.2.2.10 CRYSTAL STRUCTURE OF BACILLUS MEGATERIUM EPOXIDE HYDROLASE I WITH AN INHIBITOR BACILLUS MEGATERIUM A/B HYDROLASE FOLD EPOXIDE HYDROLASE HYDROLASE-HYDROLASE ICOMPLEX
Ref.: ENGINEERING OF AN EPOXIDE HYDROLASE FOR EFFICIENT BIORESOLUTION OF BULKY PHARMACO SUBSTRATES. PROC.NATL.ACAD.SCI.USA V. 111 15717 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO6 A:303;
A:301;
B:302;
B:301;
A:302;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
151.163 C8 H9 N O2 c1ccc...
SO4 A:305;
A:304;
B:303;
Invalid;
Invalid;
Invalid;
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
4O08 1.95 Å EC: 3.2.2.10 CRYSTAL STRUCTURE OF BACILLUS MEGATERIUM EPOXIDE HYDROLASE I WITH AN INHIBITOR BACILLUS MEGATERIUM A/B HYDROLASE FOLD EPOXIDE HYDROLASE HYDROLASE-HYDROLASE ICOMPLEX
Ref.: ENGINEERING OF AN EPOXIDE HYDROLASE FOR EFFICIENT BIORESOLUTION OF BULKY PHARMACO SUBSTRATES. PROC.NATL.ACAD.SCI.USA V. 111 15717 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4O08 - PO6 C8 H9 N O2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4O08 - PO6 C8 H9 N O2 c1ccc(cc1)....
50% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WKA ic50 = 29 uM S0G C10 H16 N4 O2 CN1C(=C(C(....
2 5ALW ic50 = 7.05 uM JQN C17 H15 N O2 S Cc1ccc(cc1....
3 5AIB ic50 = 160 uM KJU C8 H6 Cl N O2 c1cc2c(cc1....
4 3WKD ic50 = 171 uM S0K C15 H16 N2 O2 S c1ccc(c(c1....
5 5ALP ic50 < 0.086 uM QYD C17 H17 N3 O3 S c1ccc(cc1)....
6 5AK5 ic50 = 0.086 uM V2Z C12 H13 N3 O CCCC1=NC(=....
7 4Y2S ic50 = 52 uM 49P C10 H7 F3 N2 O c1cc(cc(c1....
8 5ALJ ic50 = 2.737 uM T5J C17 H15 F N2 O Cc1ccc(cc1....
9 5ALO ic50 = 0.738 uM A0J C20 H19 N3 O C[C@]1(c2c....
10 5AM3 ic50 = 0.005 uM AUB C24 H32 N2 O4 c1cc(ccc1C....
11 4Y2P ic50 = 2200 uM 3C5 C13 H14 N2 CNCc1cccc(....
12 3WK8 ic50 = 49 uM S0E C8 H5 F3 N2 S c1cc2c(cc1....
13 5ALI ic50 < 0.086 uM Q3B C27 H26 N8 O3 S COc1ccc(cc....
14 5AK3 ic50 = 8.49 uM XM0 C9 H11 N c1ccc2c(c1....
15 5AKJ ic50 < 1.37 uM 6N4 C9 H10 N2 O S c1ccc2c(c1....
16 5AIC ic50 = 49.6 uM TGX C9 H9 N O S Cc1ccc2c(c....
17 5ALV ic50 = 43.48 uM 6TZ C9 H7 F N2 c1cc(cc(c1....
18 3WK9 ic50 = 70 uM S0F C10 H9 Br N2 S c1cc(ccc1C....
19 5AKK ic50 = 99.3 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
20 1VJ5 ic50 = 0.12 uM CIU C13 H17 I N2 O c1cc(ccc1N....
21 4Y2Q ic50 = 1200 uM 49N C10 H12 F3 N3 c1cc(c(nc1....
22 5ALY ic50 = 0.1845 uM B7H C15 H13 F N4 O Cc1c(n[nH]....
23 5ALH ic50 < 0.086 uM 4UA C29 H35 N3 O4 S Cc1ccc(cc1....
24 3I1Y ic50 = 7 nM 33N C21 H20 N2 O c1ccc(cc1)....
25 5FP0 ic50 = 0.017 uM SZC C19 H18 F3 N3 O2 S c1cc2c(c(c....
26 5AM5 ic50 = 1.82 uM 6NZ C14 H21 N O CCCC1=CC(=....
27 5ALX ic50 = 3.277 uM DUL C13 H13 N O S2 CCSc1cccc(....
28 5AIA ic50 = 6.268 uM KWB C13 H15 O3 c1cc(c(cc1....
29 5ALG ic50 = 0.03 uM R4N C25 H21 Cl N2 O4 S c1ccc2c(c1....
30 5AM2 ic50 = 9.685 uM KUF C10 H9 N O Cc1ccc2c(c....
31 4Y2Y ic50 = 9 uM 49Z C14 H16 F N S Cc1ccc(s1)....
32 5AKH ic50 = 0.256 uM 6NM C15 H10 F3 N3 c1cc(cc(c1....
33 5AKZ ic50 = 5.49 uM 6NX C8 H16 N2 O CNC(=O)NC1....
34 5ALT ic50 = 13.1 uM 9XZ C11 H10 N6 S Cn1nc(nn1)....
35 4Y2V ic50 = 91 uM 4A5 C8 H9 Br N2 O2 c1c(c(nn1C....
36 5AI8 ic50 = 125.6 uM K2T C8 H8 N2 S Cc1ccc2c(c....
37 5AI4 ic50 = 331.7 uM 4VY C8 H11 Br N2 O CN(CCO)c1c....
38 3I28 ic50 = 6 nM 34N C24 H21 F N2 O3 S CS(=O)(=O)....
39 5AKI ic50 = 0.754 uM 6NF C15 H20 N4 c1cnccc1c2....
40 5AK4 ic50 = 59.2 uM GVG C10 H10 N2 Cc1c(c[nH]....
41 5ALL ic50 = 2.678 uM II6 C9 H19 N O C[C@@H]1C[....
42 3WK6 ic50 = 6.3 uM S0B C12 H16 N2 S C[C@@H]1CN....
43 5AKX - 8NY C7 H5 I N2 c1cc2c(cc1....
44 5AI0 ic50 = 206.4 uM JF6 C8 H7 N3 O c1ccc(cc1)....
45 5ALN ic50 = 0.267 uM 5ZM C16 H14 F N O CC1(c2cc(c....
46 5ALZ ic50 = 0.006 uM XQ9 C17 H29 N3 O3 S CS(=O)(=O)....
47 5AKE ic50 = 0.015 uM 6N0 C18 H16 F2 N2 O3 S c1ccc2c(c1....
48 1ZD3 ic50 > 500 uM NC4 C11 H20 N2 O3 C1CCC(CC1)....
49 5AI9 ic50 = 0.244 uM K78 C20 H26 Br N O CC(C)(C)c1....
50 5ALK ic50 = 0.252 uM WMR C15 H22 N4 S CCCCc1c2c(....
51 4Y2T ic50 = 150 uM 49Q C16 H18 O2 c1ccc(cc1)....
52 5ALE ic50 = 1.132 uM ONR C9 H6 Cl N O2 c1cc(c(cc1....
53 5AM0 ic50 = 1.32 uM LWS C15 H15 F N2 O CC1(c2cc(c....
54 5AM4 ic50 = 0.113 uM MVJ C18 H23 N O2 c1cc2c(cc1....
55 4Y2J ic50 = 800 uM 49G C13 H17 N3 Cn1ccc(n1)....
56 4Y2X ic50 = 0.51 uM 4A0 C19 H27 N O c1ccc(c(c1....
57 5AM1 ic50 = 0.003 uM I5T C23 H24 N2 O3 c1ccc(cc1)....
58 5AK6 ic50 = 326.4 uM YPN C7 H8 Cl N O S c1cc(ncc1C....
59 5AI5 ic50 = 0.093 uM BSU C13 H12 N2 O c1ccc(cc1)....
60 3WK4 ic50 = 7.4 uM S0A C12 H16 N2 O C[C@H](C1C....
61 3WKC ic50 = 195 uM S0J C14 H19 N3 O S Cc1cc(c(n1....
62 5AKL ic50 < 0.086 uM 6N8 C20 H20 N2 O c1ccc(cc1)....
63 5ALD ic50 = 1.08 uM FCW C14 H17 N O c1cc2c(cc1....
64 5AKY - 6NJ C15 H14 N2 c1ccc(cc1)....
65 5ALU ic50 = 0.022 uM HD2 C24 H34 N4 O3 c1c(c(nc(n....
66 5ALF ic50 = 0.204 uM OE1 C19 H23 N3 O2 S CCCN(CCC)S....
67 3WKB ic50 = 61 uM S0I C15 H14 N2 O c1ccc(cc1)....
68 4Y2R - 49O C10 H12 N4 c1cc(c(nc1....
69 3WK7 ic50 = 127 uM S0D C11 H10 N4 Cn1cc(cn1)....
70 5ALM ic50 = 0.294 uM 7GM C16 H23 N O S C[C@]1(CCN....
71 5AI6 ic50 = 40.19 uM 4XH C9 H6 Br N c1cc2c(ccc....
72 3ANT ic50 = 8.5 nM S82 C20 H26 N4 O2 CC(C)c1nc(....
73 6YL4 ic50 = 0.007 uM OWW C28 H26 F3 N3 O4 C[C@H](C#C....
74 4JNC ic50 = 3 nM 1LF C19 H23 F3 N6 O Cc1nc(nc(n....
75 6I5G Ki = 8.56 uM PTG C20 H28 O3 CCCCCC=CC=....
76 6FR2 ic50 = 4.99 nM E3N C21 H30 F3 N3 O5 S CC(C)S(=O)....
77 4X6X ic50 = 2.3 nM S74 C30 H32 N2 O4 c1ccc(cc1)....
78 4X6Y - S94 C21 H24 N2 O2 c1ccc(cc1)....
79 3ANS ic50 = 565 nM S38 C17 H14 N2 O c1ccc(cc1)....
80 6HGV ic50 = 2.8 uM G3Q C20 H33 N3 O3 CC(C)(C)NC....
81 6HGX ic50 = 0.077 uM G3T C22 H35 N3 O3 CC(C)(C)N1....
82 4O08 - PO6 C8 H9 N O2 c1ccc(cc1)....
83 2CJP Ki = 0.8 mM VPR C8 H17 N O CCCC(CCC)C....
84 6N3K ic50 = 29 nM K9V C23 H28 F2 N2 O2 c1ccc(cc1)....
85 6N3Z ic50 = 259.3 nM KC4 C22 H24 F3 N3 O4 CNC(=O)c1c....
86 6N5H ic50 = 357.9 nM AUB C24 H32 N2 O4 c1cc(ccc1C....
87 6N5F ic50 = 138.8 nM KJ1 C17 H34 N2 O2 CCCCCCCCC(....
88 5NG7 - SER C3 H7 N O3 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PO6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PO6 1 1
2 N0H 0.428571 0.692308
Similar Ligands (3D)
Ligand no: 1; Ligand: PO6; Similar ligands found: 1035
No: Ligand Similarity coefficient
1 XIZ 1.0000
2 TCA 0.9998
3 FK8 0.9909
4 HCI 0.9906
5 R9M 0.9878
6 URO 0.9783
7 ESX 0.9745
8 4WL 0.9740
9 CXP 0.9739
10 4HP 0.9729
11 J0Z 0.9721
12 AKG 0.9712
13 ESP 0.9708
14 PPY 0.9707
15 BZ2 0.9698
16 4LW 0.9688
17 P81 0.9684
18 2HC 0.9683
19 P80 0.9681
20 N9J 0.9675
21 PBA 0.9673
22 HC4 0.9647
23 PAC 0.9646
24 268 0.9645
25 IWT 0.9642
26 P7Y 0.9641
27 MSR 0.9638
28 ICB 0.9634
29 DHY 0.9633
30 J9N 0.9623
31 BNL 0.9622
32 173 0.9622
33 AOT 0.9619
34 HF2 0.9618
35 BNF 0.9616
36 HFA 0.9612
37 4P5 0.9610
38 HX4 0.9601
39 4ZA 0.9601
40 R20 0.9601
41 SMN 0.9599
42 258 0.9586
43 S8V 0.9583
44 HIS 0.9580
45 NYL 0.9577
46 TYL 0.9577
47 PIM 0.9569
48 PRA 0.9566
49 QY9 0.9563
50 SYC 0.9559
51 PHE 0.9556
52 PIY 0.9550
53 1L5 0.9546
54 3YP 0.9543
55 OGA 0.9542
56 NFA 0.9538
57 9RW 0.9537
58 6FZ 0.9536
59 61M 0.9534
60 CPZ 0.9533
61 M3H 0.9532
62 4PN 0.9531
63 A5E 0.9529
64 ISZ 0.9529
65 264 0.9526
66 HPS 0.9524
67 8OZ 0.9523
68 KTA 0.9521
69 7VP 0.9520
70 4LV 0.9514
71 CFI 0.9514
72 DGL 0.9513
73 LSQ 0.9511
74 GRO 0.9508
75 R2P 0.9505
76 F4E 0.9504
77 PMF 0.9501
78 Q9Z 0.9500
79 PHU 0.9498
80 MPV 0.9496
81 M4T 0.9494
82 HPP 0.9490
83 PPT 0.9490
84 SHI 0.9482
85 AHC 0.9478
86 36Y 0.9474
87 M6H 0.9473
88 N4B 0.9466
89 SNU 0.9466
90 YZM 0.9465
91 PBN 0.9465
92 1M2 0.9464
93 DE5 0.9463
94 DHI 0.9462
95 LT1 0.9460
96 K7M 0.9459
97 MES 0.9456
98 B85 0.9450
99 S2P 0.9449
100 1F1 0.9449
101 92K 0.9445
102 HL4 0.9442
103 0HN 0.9441
104 2HG 0.9439
105 NIZ 0.9439
106 3H2 0.9437
107 L5V 0.9436
108 LVD 0.9435
109 B40 0.9433
110 GJZ 0.9430
111 TPA 0.9428
112 HHI 0.9427
113 BHO 0.9427
114 MNN 0.9425
115 S0W 0.9424
116 TZF 0.9421
117 ENO 0.9417
118 MUC 0.9414
119 0BP 0.9410
120 S2G 0.9407
121 URS 0.9407
122 L22 0.9404
123 3HP 0.9399
124 DPN 0.9397
125 TYR 0.9393
126 ESI 0.9392
127 4FA 0.9392
128 HHH 0.9392
129 DHC 0.9391
130 TIH 0.9388
131 HQJ 0.9385
132 HY1 0.9383
133 5LA 0.9377
134 GLU 0.9376
135 GLN 0.9375
136 RMN 0.9374
137 9ON 0.9373
138 GO2 0.9371
139 49F 0.9369
140 XCG 0.9368
141 6NT 0.9368
142 4BY 0.9367
143 TYE 0.9366
144 YPN 0.9366
145 AEG 0.9365
146 0HO 0.9364
147 92G 0.9359
148 DYT 0.9358
149 FAN 0.9357
150 3C4 0.9356
151 3LR 0.9353
152 2ZM 0.9352
153 1BN 0.9347
154 4BL 0.9346
155 1A7 0.9346
156 KTW 0.9345
157 F06 0.9344
158 GVY 0.9343
159 3NY 0.9335
160 C1M 0.9333
161 QMP 0.9333
162 M45 0.9332
163 271 0.9330
164 TMG 0.9328
165 FBM 0.9328
166 RLG 0.9326
167 2BG 0.9325
168 97T 0.9324
169 EVF 0.9319
170 PEA 0.9318
171 23J 0.9318
172 6NI 0.9317
173 JAW 0.9315
174 M74 0.9311
175 2IT 0.9308
176 GGL 0.9308
177 ONL 0.9306
178 JB8 0.9306
179 I4B 0.9305
180 B3U 0.9302
181 56D 0.9302
182 J9Q 0.9301
183 A29 0.9301
184 5OO 0.9300
185 J6W 0.9299
186 XIY 0.9298
187 TB8 0.9297
188 GWM 0.9297
189 LDP 0.9297
190 K97 0.9295
191 CXF 0.9293
192 3QM 0.9292
193 7BC 0.9289
194 GZ2 0.9289
195 HIC 0.9288
196 36E 0.9287
197 PEL 0.9286
198 I1E 0.9286
199 JDN 0.9285
200 EN1 0.9284
201 3ZB 0.9284
202 OOG 0.9284
203 M5E 0.9284
204 Q03 0.9284
205 HSO 0.9283
206 C82 0.9282
207 DGN 0.9281
208 SSB 0.9279
209 IAC 0.9279
210 OHP 0.9279
211 269 0.9277
212 7OD 0.9275
213 DTY 0.9274
214 PCS 0.9272
215 PFF 0.9271
216 6TZ 0.9271
217 3A9 0.9271
218 PH3 0.9271
219 EKZ 0.9269
220 TYC 0.9264
221 KMH 0.9262
222 INO 0.9262
223 0A9 0.9259
224 7C3 0.9257
225 15N 0.9257
226 PJW 0.9255
227 TIU 0.9254
228 XDK 0.9253
229 5NI 0.9253
230 0JD 0.9252
231 LNR 0.9250
232 4NB 0.9248
233 FF2 0.9247
234 AX3 0.9247
235 TSU 0.9247
236 BP7 0.9246
237 0NX 0.9243
238 SAN 0.9240
239 263 0.9239
240 363 0.9236
241 NCT 0.9236
242 FEH 0.9236
243 1X4 0.9235
244 650 0.9234
245 TZM 0.9233
246 X0V 0.9233
247 RP3 0.9232
248 ALE 0.9228
249 9ZE 0.9228
250 4V2 0.9227
251 3HG 0.9227
252 AHN 0.9227
253 ABI 0.9226
254 AEF 0.9226
255 717 0.9226
256 4BF 0.9224
257 GOJ 0.9223
258 YIE 0.9223
259 4XF 0.9221
260 795 0.9221
261 UNJ 0.9221
262 LQ2 0.9221
263 URP 0.9221
264 RSO 0.9221
265 K34 0.9220
266 4J8 0.9220
267 MHO 0.9219
268 33S 0.9217
269 F9P 0.9217
270 HXY 0.9213
271 PHI 0.9210
272 BPW 0.9207
273 DIR 0.9207
274 RBJ 0.9206
275 E1T 0.9205
276 EYV 0.9203
277 X48 0.9201
278 OTR 0.9193
279 N2I 0.9193
280 SAF 0.9193
281 FBS 0.9191
282 D3G 0.9188
283 CH9 0.9187
284 2HU 0.9186
285 YRL 0.9186
286 BZ3 0.9186
287 AMS 0.9184
288 428 0.9181
289 ANN 0.9180
290 2FX 0.9175
291 8U3 0.9174
292 UN1 0.9174
293 QUS 0.9172
294 HJH 0.9171
295 ZBT 0.9171
296 CFA 0.9170
297 6Q3 0.9168
298 TSR 0.9167
299 0W1 0.9167
300 GUA 0.9166
301 ISA 0.9165
302 DI6 0.9165
303 52C 0.9163
304 SLS 0.9162
305 152 0.9162
306 2FT 0.9161
307 PNZ 0.9161
308 OKG 0.9157
309 ZGL 0.9156
310 AMQ 0.9156
311 3PG 0.9155
312 5XC 0.9151
313 PZI 0.9150
314 DLY 0.9149
315 LYS 0.9149
316 GVG 0.9148
317 RM1 0.9148
318 S7A 0.9147
319 PAB 0.9147
320 5OB 0.9145
321 11C 0.9144
322 OMD 0.9143
323 6ZX 0.9141
324 N91 0.9141
325 CEE 0.9139
326 PHB 0.9139
327 SME 0.9138
328 ARG 0.9137
329 9FL 0.9137
330 MAJ 0.9136
331 L99 0.9135
332 M3P 0.9132
333 RA7 0.9131
334 4FH 0.9130
335 DZA 0.9129
336 ONH 0.9129
337 RNS 0.9126
338 GB5 0.9125
339 CCU 0.9125
340 2HO 0.9125
341 A3M 0.9125
342 L14 0.9123
343 MR1 0.9121
344 8XL 0.9120
345 SHA 0.9120
346 Q02 0.9119
347 505 0.9118
348 HG3 0.9118
349 DHR 0.9118
350 PEP 0.9118
351 SSC 0.9116
352 HDH 0.9115
353 3VX 0.9114
354 0VT 0.9114
355 DHS 0.9113
356 S24 0.9113
357 M1Z 0.9112
358 HPV 0.9112
359 HNK 0.9109
360 8NB 0.9108
361 069 0.9108
362 JZ7 0.9105
363 12T 0.9103
364 F90 0.9102
365 8WT 0.9102
366 FZM 0.9101
367 ENW 0.9096
368 NFM 0.9095
369 FCR 0.9095
370 N2Z 0.9094
371 RJY 0.9093
372 DHB 0.9093
373 SEP 0.9091
374 PTU 0.9090
375 8ZE 0.9089
376 XQI 0.9088
377 J9T 0.9088
378 HA5 0.9087
379 BPY 0.9085
380 KDG 0.9085
381 N1E 0.9085
382 EOU 0.9083
383 6KT 0.9082
384 HSX 0.9082
385 2FY 0.9082
386 NF3 0.9081
387 MAH 0.9080
388 SYM 0.9080
389 BRH 0.9079
390 MZT 0.9079
391 3BU 0.9079
392 IFP 0.9079
393 JRB 0.9078
394 CXH 0.9077
395 492 0.9076
396 4SX 0.9076
397 SRT 0.9076
398 8WO 0.9075
399 2QC 0.9074
400 4ZD 0.9074
401 CLU 0.9074
402 XBT 0.9073
403 BCU 0.9071
404 AAN 0.9071
405 R9S 0.9070
406 4NC 0.9069
407 PBZ 0.9068
408 SD4 0.9065
409 HNL 0.9064
410 KMT 0.9064
411 93K 0.9064
412 NPO 0.9063
413 TZL 0.9062
414 7N0 0.9062
415 X0U 0.9061
416 LL2 0.9061
417 IOS 0.9059
418 ZEC 0.9057
419 TSS 0.9057
420 CHB 0.9056
421 ICO 0.9056
422 YTX 0.9055
423 RNO 0.9054
424 YOF 0.9054
425 TZE 0.9054
426 LFC 0.9053
427 2LP 0.9053
428 EXD 0.9052
429 1Z6 0.9052
430 5XB 0.9052
431 ZON 0.9050
432 HGA 0.9047
433 DAH 0.9046
434 QIV 0.9045
435 FP1 0.9044
436 AC6 0.9044
437 9TW 0.9042
438 SNO 0.9039
439 E4P 0.9039
440 IHB 0.9039
441 2BX 0.9037
442 4MA 0.9036
443 P72 0.9032
444 SPA 0.9031
445 CS2 0.9029
446 CUW 0.9028
447 BZE 0.9028
448 4VY 0.9028
449 7O4 0.9027
450 OSE 0.9026
451 5XA 0.9025
452 LNO 0.9021
453 HMS 0.9020
454 NNO 0.9020
455 JF6 0.9019
456 4TB 0.9018
457 DAL DAL 0.9017
458 ORN 0.9017
459 42J 0.9014
460 LYN 0.9012
461 7MU 0.9012
462 GPJ 0.9012
463 F4K 0.9010
464 MMS 0.9009
465 NLE 0.9008
466 P58 0.9008
467 1LN 0.9006
468 K6H 0.9005
469 4JQ 0.9004
470 GVM 0.9001
471 R67 0.9001
472 GCO 0.9000
473 8GL 0.9000
474 XDE 0.9000
475 4A3 0.9000
476 AAS 0.9000
477 HL5 0.8999
478 M5H 0.8998
479 MET 0.8998
480 HNH 0.8997
481 HSM 0.8997
482 YF3 0.8996
483 CHH 0.8996
484 B09 0.8996
485 MYJ 0.8995
486 JZ4 0.8994
487 XM0 0.8994
488 KOJ 0.8993
489 0L1 0.8992
490 I38 0.8992
491 2UB 0.8992
492 80G 0.8990
493 AN3 0.8990
494 FHB 0.8990
495 GPF 0.8990
496 9CA 0.8988
497 3GZ 0.8986
498 LPK 0.8986
499 261 0.8985
500 0F9 0.8985
501 ZZ2 0.8984
502 SBK 0.8984
503 B41 0.8983
504 PKU 0.8983
505 2F6 0.8982
506 1Y6 0.8982
507 KTJ 0.8981
508 RUY 0.8981
509 JFJ 0.8981
510 9FE 0.8981
511 RP5 0.8981
512 P9P 0.8981
513 1IT 0.8980
514 OEG 0.8978
515 IYR 0.8976
516 Q04 0.8975
517 13P 0.8975
518 OHJ 0.8974
519 2AL 0.8974
520 MP5 0.8973
521 9J3 0.8971
522 RKV 0.8970
523 AL0 0.8968
524 DS0 0.8968
525 KYN 0.8967
526 MSL 0.8966
527 FBJ 0.8966
528 SQ4 0.8963
529 2O6 0.8963
530 FHC 0.8963
531 MLT 0.8962
532 ARP 0.8961
533 OK7 0.8960
534 BHH 0.8959
535 REL 0.8959
536 DEE 0.8958
537 6SD 0.8956
538 92P 0.8956
539 QSB 0.8956
540 ALA ALA 0.8954
541 3R4 0.8954
542 KJU 0.8953
543 BEZ 0.8953
544 HBD 0.8952
545 ASP 0.8952
546 KDV 0.8951
547 36M 0.8951
548 Y3L 0.8951
549 N7I 0.8951
550 BQ2 0.8950
551 GB4 0.8950
552 JND 0.8950
553 JLZ 0.8949
554 9BF 0.8948
555 OAA 0.8948
556 HWD 0.8947
557 RUJ 0.8944
558 3OL 0.8944
559 GNW 0.8943
560 CCE 0.8943
561 KPA 0.8942
562 4HB 0.8941
563 C53 0.8941
564 N3W 0.8939
565 BSX 0.8939
566 4JT 0.8939
567 BHU 0.8938
568 PG3 0.8938
569 3QO 0.8938
570 GLY GLY 0.8936
571 IOP 0.8935
572 CIY 0.8933
573 SW7 0.8933
574 C2Y 0.8932
575 3CR 0.8932
576 1PS 0.8931
577 H42 0.8931
578 DLT 0.8930
579 ASC 0.8930
580 FER 0.8929
581 129 0.8928
582 ONR 0.8927
583 7A8 0.8925
584 F9Y 0.8925
585 APS 0.8925
586 51F 0.8925
587 4BZ 0.8924
588 Q06 0.8923
589 GLO 0.8922
590 6FB 0.8922
591 4I8 0.8921
592 LUQ 0.8921
593 TT4 0.8921
594 RAT 0.8920
595 3HM 0.8920
596 0FK 0.8920
597 S7J 0.8919
598 KMY 0.8919
599 GP9 0.8919
600 TGX 0.8918
601 ABF 0.8918
602 ODO 0.8918
603 4NZ 0.8915
604 5WZ 0.8915
605 G3H 0.8915
606 EQW 0.8913
607 AMH 0.8912
608 H4E 0.8912
609 1VK 0.8912
610 FIX 0.8911
611 AOS 0.8910
612 54D 0.8908
613 1SV 0.8907
614 CK1 0.8907
615 27B 0.8907
616 DAV 0.8907
617 IPO 0.8905
618 3AE 0.8904
619 S0D 0.8903
620 4YO 0.8903
621 FA1 0.8903
622 FTV 0.8902
623 HBA 0.8902
624 F52 0.8901
625 N6C 0.8901
626 A5P 0.8901
627 LMR 0.8901
628 LR5 0.8900
629 A7H 0.8900
630 SHO 0.8900
631 QH3 0.8900
632 DXG 0.8899
633 RNT 0.8898
634 LX1 0.8898
635 94W 0.8898
636 E5X 0.8898
637 ES2 0.8898
638 FBF 0.8897
639 F31 0.8897
640 PGH 0.8897
641 E3X 0.8896
642 RB5 0.8896
643 EGR 0.8895
644 DEZ 0.8894
645 NM2 0.8894
646 EV0 0.8893
647 5GU 0.8892
648 LLH 0.8890
649 SOL 0.8889
650 E7S 0.8889
651 FOM 0.8889
652 TU0 0.8887
653 8NX 0.8885
654 SN4 0.8885
655 IVL 0.8884
656 VNL 0.8883
657 1WC 0.8881
658 J4K 0.8881
659 DXP 0.8880
660 3VS 0.8880
661 6J5 0.8880
662 QBM 0.8879
663 AT3 0.8879
664 FBB 0.8878
665 TOH 0.8878
666 LTL 0.8878
667 MF3 0.8878
668 MED 0.8877
669 NCA 0.8877
670 50C 0.8876
671 BEN 0.8876
672 SWX 0.8875
673 VXX 0.8874
674 FF3 0.8874
675 MTL 0.8873
676 E0O 0.8872
677 EDR 0.8872
678 NNH 0.8871
679 GT4 0.8870
680 E1P 0.8870
681 259 0.8869
682 GJP 0.8869
683 1P8 0.8869
684 7WG 0.8869
685 BPN 0.8868
686 3S5 0.8867
687 MXD 0.8866
688 ACA 0.8865
689 GO8 0.8864
690 Z82 0.8864
691 MS9 0.8863
692 R9J 0.8861
693 B1J 0.8861
694 463 0.8860
695 PRZ 0.8860
696 FUD 0.8860
697 MQN 0.8860
698 JG8 0.8860
699 RBL 0.8859
700 4XV 0.8858
701 GZL 0.8857
702 R9Y 0.8857
703 9SE 0.8856
704 Y4L 0.8855
705 GAB 0.8853
706 SOR 0.8852
707 BZJ 0.8852
708 XYH 0.8851
709 5DL 0.8851
710 LJ3 0.8850
711 6RQ 0.8850
712 4NM 0.8849
713 SIN 0.8849
714 XRG 0.8848
715 CK2 0.8847
716 SYV 0.8847
717 3HB 0.8847
718 E35 0.8846
719 AG2 0.8845
720 HPN 0.8844
721 6HO 0.8843
722 03V 0.8842
723 TLM 0.8842
724 ABV 0.8841
725 TAG 0.8841
726 3PF 0.8841
727 PRO GLY 0.8839
728 XX2 0.8839
729 45L 0.8838
730 6NA 0.8838
731 L03 0.8836
732 F98 0.8836
733 DEW 0.8835
734 CCD 0.8835
735 SKF 0.8834
736 MSE 0.8834
737 CWJ 0.8834
738 XI7 0.8834
739 STT 0.8833
740 9R5 0.8833
741 I3E 0.8832
742 PRY 0.8832
743 SHV 0.8832
744 I2E 0.8832
745 DAR 0.8831
746 BVA 0.8831
747 AM4 0.8831
748 RQD 0.8830
749 826 0.8830
750 4LR 0.8830
751 PSJ 0.8830
752 AX7 0.8830
753 COU 0.8830
754 5RN 0.8830
755 GLR 0.8828
756 3VW 0.8828
757 1XA 0.8826
758 MEQ 0.8825
759 7MW 0.8824
760 OVM 0.8824
761 LGT 0.8822
762 GGB 0.8822
763 Z70 0.8821
764 SG3 0.8821
765 1HN 0.8819
766 LT2 0.8818
767 S0E 0.8817
768 2LY 0.8815
769 4CM 0.8815
770 4RU 0.8813
771 JB5 0.8813
772 SDD 0.8812
773 4FS 0.8811
774 4JC 0.8811
775 DHK 0.8811
776 PJL 0.8811
777 PLP 0.8810
778 XUL 0.8810
779 4FP 0.8809
780 X1R 0.8809
781 5QY 0.8809
782 4FE 0.8809
783 K2T 0.8807
784 MEV 0.8807
785 449 0.8806
786 EQA 0.8805
787 JCZ 0.8805
788 HTX 0.8804
789 FWD 0.8804
790 ES5 0.8803
791 15E 0.8802
792 8HC 0.8801
793 ENV 0.8800
794 VC3 0.8800
795 P9E 0.8798
796 OQC 0.8798
797 GDE 0.8798
798 G3P 0.8797
799 88L 0.8796
800 DHM 0.8796
801 DNF 0.8796
802 IXW 0.8795
803 1GP 0.8794
804 9GB 0.8794
805 EOL 0.8793
806 3OM 0.8793
807 68A 0.8792
808 CWD 0.8791
809 FOC 0.8789
810 PC 0.8789
811 7ZL 0.8787
812 CYX 0.8785
813 OCH 0.8785
814 COI 0.8785
815 5RO 0.8785
816 XRS 0.8783
817 GRF 0.8782
818 7UC 0.8782
819 AS3 0.8782
820 JBZ 0.8781
821 0TU 0.8780
822 2AQ 0.8779
823 2RH 0.8779
824 LYL 0.8778
825 3VQ 0.8777
826 XYL 0.8775
827 JAH 0.8774
828 JOV 0.8774
829 NM3 0.8774
830 4TP 0.8774
831 2LT 0.8773
832 N2M 0.8772
833 EUE 0.8772
834 N8Y 0.8771
835 14W 0.8771
836 A5H 0.8771
837 5TY 0.8770
838 ODK 0.8770
839 TRP 0.8770
840 AY4 0.8768
841 DER 0.8768
842 GJK 0.8768
843 ACH 0.8767
844 TZP 0.8765
845 1FD 0.8764
846 ANC 0.8764
847 HYA 0.8763
848 SOJ 0.8762
849 BL0 0.8761
850 IP8 0.8761
851 A7N 0.8758
852 M4S 0.8758
853 4NS 0.8756
854 M72 0.8754
855 PLR 0.8752
856 ET2 0.8751
857 D48 0.8750
858 H7Y 0.8750
859 ZYR 0.8750
860 3AL 0.8750
861 SKM 0.8749
862 JA5 0.8749
863 SR1 0.8749
864 K80 0.8748
865 DDU 0.8748
866 IWD 0.8747
867 6QF 0.8746
868 MD6 0.8745
869 AEH 0.8743
870 RTK 0.8740
871 G14 0.8740
872 M6W 0.8739
873 JZA 0.8738
874 LZ5 0.8738
875 ZZA 0.8738
876 VKC 0.8738
877 XRX 0.8736
878 ERZ 0.8736
879 535 0.8736
880 SB7 0.8731
881 LO1 0.8731
882 3TC 0.8731
883 B2J 0.8731
884 J5I 0.8730
885 RCV 0.8728
886 ZZU 0.8728
887 M3E 0.8727
888 EYJ 0.8727
889 4AA 0.8725
890 5RP 0.8725
891 M4E 0.8724
892 FUM 0.8724
893 KUF 0.8723
894 GF4 0.8721
895 6L6 0.8721
896 HBU 0.8720
897 2JJ 0.8720
898 UA5 0.8719
899 CCB 0.8719
900 MLZ 0.8718
901 TPO 0.8717
902 BWD 0.8717
903 Z5P 0.8716
904 9UL 0.8715
905 NAG 0.8714
906 657 0.8713
907 D2G 0.8712
908 KLS 0.8711
909 G3E 0.8710
910 TWO 0.8709
911 6DP 0.8709
912 AZM 0.8708
913 GBN 0.8706
914 LTT 0.8705
915 N4E 0.8704
916 46P 0.8701
917 5VL 0.8700
918 V1T 0.8700
919 27K 0.8699
920 BY5 0.8698
921 JF1 0.8698
922 78Y 0.8698
923 MHN 0.8695
924 TEG 0.8695
925 2MI 0.8693
926 ZRK 0.8693
927 5OY 0.8692
928 P92 0.8692
929 PZM 0.8692
930 SE2 0.8691
931 174 0.8690
932 BZQ 0.8690
933 2D8 0.8689
934 EHM 0.8689
935 K4V 0.8685
936 DC5 0.8685
937 KYA 0.8685
938 PUE 0.8683
939 HHS 0.8683
940 4OG 0.8681
941 A9P 0.8681
942 4NP 0.8681
943 ZME 0.8680
944 K6V 0.8679
945 L13 0.8679
946 XLS 0.8678
947 0SY 0.8678
948 ROR 0.8675
949 HPT 0.8675
950 6HN 0.8672
951 F69 0.8672
952 QSH 0.8671
953 H8N 0.8670
954 CLW 0.8670
955 BEA 0.8670
956 TTL 0.8670
957 EUG 0.8670
958 2HQ 0.8668
959 ZXD 0.8667
960 QDK 0.8667
961 HJ8 0.8667
962 2A9 0.8665
963 1DU 0.8664
964 DII 0.8662
965 JAE 0.8662
966 D6G 0.8660
967 4RW 0.8658
968 VGD 0.8654
969 PG0 0.8653
970 8EW 0.8653
971 344 0.8653
972 GTK 0.8651
973 CIR 0.8650
974 YIP 0.8649
975 0A1 0.8647
976 JF2 0.8645
977 5O6 0.8641
978 ILO 0.8640
979 7R4 0.8636
980 MPK 0.8632
981 270 0.8630
982 2K8 0.8630
983 UGC 0.8629
984 5FX 0.8627
985 6C5 0.8626
986 JP2 0.8625
987 NTU 0.8621
988 5VM 0.8620
989 AMR 0.8616
990 S3C 0.8616
991 KBZ 0.8608
992 2D2 0.8606
993 X11 0.8605
994 DTR 0.8604
995 6MW 0.8603
996 B2Y 0.8603
997 LL1 0.8602
998 API 0.8602
999 36R 0.8600
1000 FDR 0.8600
1001 M78 0.8599
1002 DIN 0.8598
1003 6J9 0.8596
1004 B4O 0.8594
1005 W29 0.8592
1006 EMZ 0.8590
1007 5GT 0.8590
1008 5HY 0.8590
1009 S7S 0.8589
1010 PH2 0.8588
1011 3QV 0.8580
1012 39O 0.8580
1013 DYA 0.8578
1014 OW7 0.8576
1015 HJ7 0.8574
1016 HRM 0.8574
1017 9NB 0.8573
1018 OCA 0.8571
1019 11X 0.8563
1020 BVS 0.8560
1021 8W9 0.8560
1022 7MX 0.8552
1023 LEL 0.8550
1024 2D0 0.8550
1025 2FQ 0.8545
1026 PSE 0.8542
1027 FMQ 0.8542
1028 VM1 0.8542
1029 IV2 0.8538
1030 T9G 0.8538
1031 NQH 0.8534
1032 4ME 0.8530
1033 5WN 0.8526
1034 C9E 0.8521
1035 2CZ 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4O08; Ligand: PO6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4o08.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4O08; Ligand: PO6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4o08.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4O08; Ligand: PO6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4o08.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4O08; Ligand: PO6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4o08.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4O08; Ligand: PO6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4o08.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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