Receptor
PDB id Resolution Class Description Source Keywords
2W70 1.77 Å EC: 6.3.4.14 CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E. COLI IN COMPLEX WITH THE AMINO-THIAZOLE-PYRIMIDINE FRAGMENT ESCHERICHIA COLI LIGASE ATP-BINDING FATTY ACID BIOSYNTHESIS NUCLEOTIDE-BINLIPID SYNTHESIS ATP-GRASP DOMAIN FRAGMENT SCREENING
Ref.: DISCOVERY OF ANTIBACTERIAL BIOTIN CARBOXYLASE INHIBITORS BY VIRTUAL SCREENING AND FRAGMENT-BASED APPROACHES. ACS CHEM.BIOL. V. 4 473 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1448;
B:1448;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
L22 A:1447;
B:1447;
Valid;
Valid;
none;
none;
ic50 = 12 uM
193.229 C7 H7 N5 S c1cnc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V58 2.1 Å EC: 6.3.4.14 CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 ESCHERICHIA COLI FATTY ACID BIOSYNTHESIS BIOTIN CARBOXYLASE NUCLEOTIDE-BINDING ATP-BINDING ANTIBACTERIAL LIPID SYNTHESIS FAS LIGASE BIOTIN BACTERIAL INHIBITOR
Ref.: A CLASS OF SELECTIVE ANTIBACTERIALS DERIVED FROM A PROTEIN KINASE INHIBITOR PHARMACOPHORE. PROC.NATL.ACAD.SCI.USA V. 106 1737 2009
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2W6O ic50 = 60.8 uM OA3 C10 H13 N3 O CC1(Cc2c(c....
2 3JZI ic50 = 5 uM JZL C23 H28 Cl N5 O2 c1ccc(c(c1....
3 3JZF ic50 = 5 uM JZK C22 H25 Cl N4 O c1ccc(c(c1....
4 3G8C - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 3RV3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2V59 Kd = 6.53 nM LZK C15 H15 N5 O2 COc1cccc(c....
7 2W70 ic50 = 12 uM L22 C7 H7 N5 S c1cnc(nc1c....
8 3RV4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2W6P ic50 = 0.333 uM OA4 C15 H14 N4 Cc1c(ccc2c....
10 3G8D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1DV2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 2V5A ic50 = 150 nM LZL C17 H15 N5 c1ccc(cc1)....
13 2W6N ic50 = 0.125 uM OA2 C18 H17 N3 O2 c1ccc(cc1)....
14 2W6M ic50 = 21.5 uM OA1 C10 H7 Br N2 O2 c1cc(cc(c1....
15 2W6Q ic50 = 25.4 uM OA5 C11 H13 N5 O2 c1ccc(cc1)....
16 2J9G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
17 2W6Z ic50 = 1500 uM L21 C10 H13 N5 CC(=CCn1cn....
18 6OI9 - MQM C18 H18 Cl2 N6 c1cc(c(c(c....
19 2V58 Kd = 0.82 nM LZJ C13 H9 Br2 N5 c1cc(c(c(c....
20 3RUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 2W71 ic50 = 0.334 uM L23 C15 H13 Cl2 N5 Cc1nc(cn1C....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W6O ic50 = 60.8 uM OA3 C10 H13 N3 O CC1(Cc2c(c....
2 3JZI ic50 = 5 uM JZL C23 H28 Cl N5 O2 c1ccc(c(c1....
3 3JZF ic50 = 5 uM JZK C22 H25 Cl N4 O c1ccc(c(c1....
4 3G8C - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 3RV3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2V59 Kd = 6.53 nM LZK C15 H15 N5 O2 COc1cccc(c....
7 2W70 ic50 = 12 uM L22 C7 H7 N5 S c1cnc(nc1c....
8 3RV4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2W6P ic50 = 0.333 uM OA4 C15 H14 N4 Cc1c(ccc2c....
10 3G8D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1DV2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 2V5A ic50 = 150 nM LZL C17 H15 N5 c1ccc(cc1)....
13 2W6N ic50 = 0.125 uM OA2 C18 H17 N3 O2 c1ccc(cc1)....
14 2W6M ic50 = 21.5 uM OA1 C10 H7 Br N2 O2 c1cc(cc(c1....
15 2W6Q ic50 = 25.4 uM OA5 C11 H13 N5 O2 c1ccc(cc1)....
16 2J9G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
17 2W6Z ic50 = 1500 uM L21 C10 H13 N5 CC(=CCn1cn....
18 6OI9 - MQM C18 H18 Cl2 N6 c1cc(c(c(c....
19 2V58 Kd = 0.82 nM LZJ C13 H9 Br2 N5 c1cc(c(c(c....
20 3RUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 2W71 ic50 = 0.334 uM L23 C15 H13 Cl2 N5 Cc1nc(cn1C....
22 2VQD - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
23 4MV6 - PCT C2 H6 N O4 P C(C(=O)N)P....
24 4RZQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 4MV4 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
26 4MV1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 4MV8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
28 4MV7 - PPF C H3 O5 P C(=O)(O)P(....
29 4MV3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
30 6OI8 - MQV C23 H20 Cl N7 c1cc(c(c(c....
31 2VPQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W6O ic50 = 60.8 uM OA3 C10 H13 N3 O CC1(Cc2c(c....
2 3JZI ic50 = 5 uM JZL C23 H28 Cl N5 O2 c1ccc(c(c1....
3 3JZF ic50 = 5 uM JZK C22 H25 Cl N4 O c1ccc(c(c1....
4 3G8C - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 3RV3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2V59 Kd = 6.53 nM LZK C15 H15 N5 O2 COc1cccc(c....
7 2W70 ic50 = 12 uM L22 C7 H7 N5 S c1cnc(nc1c....
8 3RV4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2W6P ic50 = 0.333 uM OA4 C15 H14 N4 Cc1c(ccc2c....
10 3G8D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1DV2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 2V5A ic50 = 150 nM LZL C17 H15 N5 c1ccc(cc1)....
13 2W6N ic50 = 0.125 uM OA2 C18 H17 N3 O2 c1ccc(cc1)....
14 2W6M ic50 = 21.5 uM OA1 C10 H7 Br N2 O2 c1cc(cc(c1....
15 2W6Q ic50 = 25.4 uM OA5 C11 H13 N5 O2 c1ccc(cc1)....
16 2J9G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
17 2W6Z ic50 = 1500 uM L21 C10 H13 N5 CC(=CCn1cn....
18 6OI9 - MQM C18 H18 Cl2 N6 c1cc(c(c(c....
19 2V58 Kd = 0.82 nM LZJ C13 H9 Br2 N5 c1cc(c(c(c....
20 3RUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 2W71 ic50 = 0.334 uM L23 C15 H13 Cl2 N5 Cc1nc(cn1C....
22 2VQD - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
23 4MV6 - PCT C2 H6 N O4 P C(C(=O)N)P....
24 4RZQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 4MV4 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
26 4MV1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 4MV8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
28 4MV7 - PPF C H3 O5 P C(=O)(O)P(....
29 4MV3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
30 6OI8 - MQV C23 H20 Cl N7 c1cc(c(c(c....
31 2VPQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: L22; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 L22 1 1
2 5TZ 0.407407 0.775
Similar Ligands (3D)
Ligand no: 1; Ligand: L22; Similar ligands found: 887
No: Ligand Similarity coefficient
1 4V2 0.9897
2 XDK 0.9775
3 1A7 0.9722
4 R20 0.9688
5 IWT 0.9681
6 HX4 0.9641
7 BZE 0.9634
8 7VP 0.9629
9 CK2 0.9618
10 L5V 0.9613
11 6TZ 0.9611
12 CH9 0.9609
13 HQJ 0.9602
14 795 0.9583
15 BNL 0.9571
16 0BP 0.9571
17 61M 0.9567
18 BPY 0.9561
19 GZ2 0.9554
20 X48 0.9552
21 MPV 0.9543
22 JG8 0.9541
23 F4E 0.9530
24 ZME 0.9523
25 M3E 0.9516
26 D3G 0.9499
27 RA7 0.9481
28 BP7 0.9476
29 M1Z 0.9474
30 ESX 0.9473
31 4XF 0.9472
32 EN1 0.9471
33 4LW 0.9470
34 BZ2 0.9467
35 PIY 0.9465
36 92G 0.9462
37 J9T 0.9454
38 XIZ 0.9453
39 AN3 0.9452
40 M3H 0.9449
41 GVG 0.9445
42 ESP 0.9440
43 AOT 0.9439
44 TT4 0.9435
45 PIM 0.9433
46 0NX 0.9430
47 A29 0.9430
48 3QV 0.9430
49 LSQ 0.9429
50 BIK 0.9427
51 TCA 0.9417
52 PPY 0.9415
53 ONR 0.9413
54 MSR 0.9411
55 PO6 0.9404
56 4BL 0.9403
57 FF2 0.9402
58 PJW 0.9402
59 KTW 0.9401
60 15E 0.9394
61 NCT 0.9390
62 X11 0.9383
63 2HC 0.9381
64 J9N 0.9381
65 XDE 0.9380
66 ALE 0.9380
67 ANC 0.9378
68 9R5 0.9367
69 KTJ 0.9358
70 9CA 0.9358
71 MXD 0.9357
72 4BY 0.9357
73 6QF 0.9356
74 N9J 0.9350
75 J6W 0.9350
76 9FL 0.9348
77 HCI 0.9340
78 FHC 0.9337
79 H4E 0.9336
80 7OD 0.9336
81 428 0.9335
82 CXH 0.9334
83 HJH 0.9334
84 0W1 0.9333
85 1IT 0.9328
86 069 0.9327
87 344 0.9327
88 M45 0.9325
89 ICB 0.9325
90 P80 0.9325
91 CK1 0.9323
92 AJY 0.9321
93 7ZL 0.9321
94 L99 0.9321
95 9ZE 0.9316
96 YZM 0.9315
97 15N 0.9313
98 3ZB 0.9311
99 45L 0.9311
100 0F9 0.9309
101 SNU 0.9302
102 9UL 0.9300
103 MQN 0.9300
104 FQX 0.9298
105 E7S 0.9297
106 N91 0.9297
107 6FB 0.9297
108 363 0.9295
109 1L5 0.9295
110 D2G 0.9292
111 3VX 0.9286
112 ZYR 0.9286
113 492 0.9286
114 HBO 0.9285
115 0TU 0.9284
116 TMG 0.9280
117 XCG 0.9280
118 BQ2 0.9278
119 6Q3 0.9278
120 GO2 0.9277
121 E35 0.9276
122 4JQ 0.9276
123 X0U 0.9275
124 EGR 0.9274
125 C53 0.9272
126 HA5 0.9272
127 7MU 0.9270
128 C0H 0.9269
129 ENO 0.9269
130 M5H 0.9267
131 28A 0.9265
132 ESI 0.9262
133 AJV 0.9260
134 0JD 0.9258
135 DAH 0.9256
136 E1T 0.9256
137 3PF 0.9254
138 A5H 0.9253
139 F2W 0.9248
140 30G 0.9247
141 78Y 0.9247
142 D48 0.9245
143 HRM 0.9242
144 2FQ 0.9242
145 HIS 0.9241
146 7MX 0.9240
147 P7Y 0.9240
148 CPZ 0.9239
149 N2I 0.9239
150 AMR 0.9238
151 QUS 0.9237
152 0HN 0.9236
153 PCS 0.9234
154 8XL 0.9233
155 5QY 0.9232
156 J9Q 0.9230
157 HGA 0.9227
158 1F1 0.9226
159 4WL 0.9224
160 4YO 0.9223
161 JCZ 0.9222
162 36Y 0.9222
163 PUE 0.9222
164 6FZ 0.9221
165 1VK 0.9220
166 TZM 0.9216
167 0XT 0.9215
168 5TY 0.9214
169 A5E 0.9214
170 2F6 0.9212
171 2ZM 0.9209
172 JP2 0.9207
173 FK8 0.9206
174 6NT 0.9205
175 LNR 0.9202
176 KW8 0.9201
177 G14 0.9201
178 TYL 0.9201
179 GVY 0.9199
180 HHI 0.9199
181 LJ3 0.9198
182 RKV 0.9196
183 3A9 0.9195
184 3TC 0.9195
185 FCD 0.9195
186 2HU 0.9195
187 JDN 0.9194
188 VM1 0.9193
189 1HN 0.9192
190 N0Z 0.9191
191 FUD 0.9190
192 EYV 0.9190
193 7MW 0.9188
194 JB8 0.9188
195 5GU 0.9187
196 5F5 0.9185
197 4P5 0.9184
198 VXX 0.9183
199 ZZA 0.9179
200 G3E 0.9178
201 0LO 0.9178
202 DHC 0.9178
203 4Z3 0.9178
204 EWG 0.9178
205 LEL 0.9176
206 4FF 0.9175
207 2BG 0.9172
208 1Z6 0.9172
209 TIA 0.9172
210 BZJ 0.9170
211 AY4 0.9170
212 EXD 0.9169
213 ABI 0.9168
214 LL1 0.9167
215 TZF 0.9165
216 GNM 0.9164
217 0FO 0.9163
218 5NI 0.9161
219 C82 0.9161
220 2K8 0.9161
221 9FE 0.9160
222 ISZ 0.9160
223 J5I 0.9159
224 KDV 0.9158
225 6KT 0.9158
226 FER 0.9157
227 EQA 0.9156
228 KJU 0.9155
229 UNJ 0.9155
230 97T 0.9155
231 AKG 0.9154
232 0HO 0.9151
233 FC2 0.9148
234 S60 0.9147
235 NFA 0.9146
236 3VQ 0.9146
237 8NB 0.9144
238 8ZE 0.9142
239 3C5 0.9142
240 SRO 0.9142
241 8NX 0.9141
242 GJP 0.9140
243 Y3L 0.9140
244 S2P 0.9139
245 68A 0.9139
246 5E5 0.9138
247 4I8 0.9138
248 5F8 0.9137
249 JWS 0.9136
250 2O6 0.9134
251 R2P 0.9133
252 4ZA 0.9133
253 JRB 0.9133
254 3NY 0.9132
255 4BZ 0.9132
256 DPT 0.9131
257 6NI 0.9130
258 PEY 0.9130
259 MUK 0.9130
260 12T 0.9127
261 HIC 0.9125
262 DHI 0.9123
263 BHO 0.9122
264 ODK 0.9121
265 1M2 0.9121
266 4NB 0.9120
267 5VL 0.9120
268 L03 0.9120
269 W29 0.9117
270 E3X 0.9117
271 UKV 0.9116
272 CFI 0.9115
273 URO 0.9113
274 2D2 0.9112
275 5LA 0.9109
276 7O4 0.9106
277 KMY 0.9106
278 XIY 0.9104
279 39O 0.9104
280 DEW 0.9103
281 PBN 0.9102
282 FZM 0.9102
283 N3W 0.9101
284 SE2 0.9101
285 S2G 0.9100
286 60L 0.9100
287 SLS 0.9100
288 GF4 0.9099
289 C1M 0.9099
290 5FL 0.9099
291 92P 0.9098
292 FBB 0.9094
293 S7A 0.9093
294 4G2 0.9089
295 QIV 0.9089
296 PH2 0.9089
297 XHP 0.9089
298 6ME 0.9088
299 I3E 0.9088
300 52C 0.9088
301 PRZ 0.9086
302 6MW 0.9085
303 SZ7 0.9084
304 LQ2 0.9081
305 DQU 0.9079
306 V2Z 0.9078
307 3R4 0.9077
308 6RQ 0.9076
309 7ME 0.9074
310 KUF 0.9074
311 V1T 0.9074
312 N7I 0.9073
313 TGX 0.9072
314 PH3 0.9071
315 N8Y 0.9070
316 4RU 0.9069
317 OGA 0.9067
318 6HO 0.9066
319 LTT 0.9066
320 KDG 0.9064
321 KCH 0.9062
322 D8Q 0.9061
323 2LY 0.9061
324 GJK 0.9060
325 8WO 0.9060
326 QX4 0.9060
327 JYB 0.9059
328 JAW 0.9056
329 BGU 0.9053
330 ITE 0.9051
331 PHE 0.9051
332 B62 0.9051
333 FDR 0.9050
334 TJM 0.9050
335 7R4 0.9050
336 4LV 0.9050
337 NIZ 0.9049
338 S0D 0.9049
339 36E 0.9047
340 4HB 0.9044
341 MVN 0.9043
342 HSX 0.9042
343 DNF 0.9041
344 SNO 0.9041
345 8WT 0.9038
346 AHN 0.9038
347 TPA 0.9038
348 2HG 0.9036
349 SKF 0.9036
350 5GT 0.9034
351 0FK 0.9034
352 IPO 0.9031
353 6DP 0.9030
354 E5X 0.9028
355 EVF 0.9028
356 AH9 0.9027
357 8HC 0.9027
358 2QC 0.9027
359 0SY 0.9026
360 TRP 0.9020
361 36M 0.9020
362 TYR 0.9020
363 HNK 0.9017
364 AA 0.9017
365 SHI 0.9015
366 4MU 0.9015
367 HHS 0.9013
368 3XH 0.9013
369 GZL 0.9012
370 CIY 0.9011
371 1XS 0.9011
372 YOF 0.9009
373 0FR 0.9008
374 AX3 0.9008
375 3J8 0.9008
376 INO 0.9007
377 1ZC 0.9006
378 173 0.9006
379 X0W 0.9005
380 KYN 0.9003
381 GOJ 0.9003
382 H7Y 0.9002
383 RP3 0.9001
384 YTX 0.9000
385 K34 0.9000
386 ANF 0.9000
387 86J 0.9000
388 PNZ 0.8999
389 SQ4 0.8999
390 CSN 0.8999
391 HL4 0.8998
392 ANN 0.8998
393 ZRK 0.8996
394 6L6 0.8994
395 R9G 0.8993
396 XI7 0.8992
397 TCR 0.8992
398 SAF 0.8991
399 BEA 0.8990
400 M83 0.8989
401 SYV 0.8988
402 B1J 0.8987
403 CCV 0.8987
404 DE5 0.8985
405 2FX 0.8985
406 833 0.8983
407 HDH 0.8982
408 GO8 0.8981
409 F31 0.8981
410 HHR 0.8980
411 268 0.8980
412 3Y7 0.8978
413 IOS 0.8978
414 2HQ 0.8978
415 BNF 0.8977
416 8U3 0.8975
417 44W 0.8974
418 OTR 0.8973
419 E0O 0.8972
420 FBM 0.8971
421 C2Y 0.8970
422 UFO 0.8970
423 BPU 0.8969
424 API 0.8968
425 5XC 0.8967
426 HFA 0.8967
427 55D 0.8967
428 DRG 0.8966
429 1QP 0.8965
430 HNT 0.8963
431 94W 0.8962
432 QBM 0.8962
433 ASC 0.8960
434 HC4 0.8960
435 WUB 0.8960
436 B40 0.8958
437 LDC 0.8958
438 6SD 0.8957
439 SOV 0.8957
440 R9Y 0.8957
441 X6W 0.8957
442 TU0 0.8957
443 LYS 0.8957
444 44V 0.8956
445 FHB 0.8956
446 1X4 0.8955
447 OTW 0.8955
448 I2E 0.8953
449 B21 0.8952
450 TSS 0.8950
451 PHU 0.8949
452 K97 0.8948
453 PRL 0.8947
454 DHB 0.8947
455 DPN 0.8945
456 BZQ 0.8945
457 4ME 0.8945
458 1WC 0.8944
459 MAJ 0.8944
460 RUY 0.8944
461 VNL 0.8943
462 CNI 0.8943
463 56D 0.8943
464 THA 0.8942
465 LT2 0.8939
466 C0W 0.8938
467 DXK 0.8938
468 SQ7 0.8937
469 LDP 0.8937
470 K2T 0.8937
471 P81 0.8936
472 JR2 0.8936
473 N2M 0.8936
474 463 0.8935
475 MMS 0.8934
476 XFE 0.8931
477 NNO 0.8929
478 COU 0.8927
479 F9P 0.8927
480 ERZ 0.8927
481 Z5P 0.8925
482 93K 0.8922
483 8G6 0.8919
484 0N7 0.8918
485 OCH 0.8918
486 MMJ 0.8917
487 JB5 0.8915
488 M4T 0.8912
489 4A3 0.8912
490 A5P 0.8910
491 H42 0.8910
492 LZ5 0.8908
493 BPN 0.8907
494 DIN 0.8906
495 2AL 0.8904
496 DDU 0.8901
497 5GV 0.8897
498 EQW 0.8897
499 C9E 0.8897
500 GLN 0.8895
501 JGB 0.8895
502 5B2 0.8895
503 PZI 0.8895
504 6ZW 0.8893
505 2PV 0.8893
506 27B 0.8893
507 MD6 0.8892
508 9TW 0.8892
509 ZYV 0.8891
510 JF2 0.8891
511 AL0 0.8890
512 DCZ 0.8890
513 2AQ 0.8890
514 ES5 0.8888
515 CWJ 0.8887
516 GCO 0.8887
517 JMG 0.8885
518 JND 0.8885
519 54X 0.8883
520 LGT 0.8883
521 OA1 0.8882
522 QMP 0.8881
523 RNO 0.8880
524 ABF 0.8879
525 49P 0.8878
526 JLZ 0.8878
527 PBA 0.8877
528 ZHA 0.8876
529 IHB 0.8875
530 ROI 0.8875
531 TWO 0.8874
532 4VY 0.8873
533 6NZ 0.8873
534 4FS 0.8873
535 HNM 0.8872
536 1XA 0.8871
537 D1G 0.8871
538 S8V 0.8870
539 DX3 0.8868
540 JTA 0.8867
541 ZEC 0.8867
542 MUA 0.8867
543 2PK 0.8866
544 2UD 0.8864
545 2HO 0.8864
546 3VW 0.8864
547 S7S 0.8863
548 MRW 0.8862
549 03V 0.8860
550 IYR 0.8860
551 A7H 0.8859
552 BVA 0.8858
553 CWS 0.8857
554 692 0.8855
555 GJZ 0.8854
556 28N 0.8854
557 8W9 0.8854
558 ES2 0.8852
559 4NC 0.8849
560 GDE 0.8848
561 P9P 0.8848
562 HQD 0.8848
563 MYJ 0.8847
564 5RO 0.8846
565 YE6 0.8846
566 ZYQ 0.8846
567 JZA 0.8845
568 GLU 0.8845
569 SWX 0.8844
570 4GU 0.8844
571 549 0.8843
572 VGD 0.8843
573 CHB 0.8842
574 GNV 0.8841
575 HSO 0.8840
576 3D8 0.8840
577 3VS 0.8839
578 5OB 0.8838
579 PAC 0.8837
580 AMH 0.8837
581 R8Y 0.8836
582 II4 0.8836
583 PKU 0.8835
584 1AJ 0.8833
585 4NM 0.8833
586 PD2 0.8833
587 ZIQ 0.8833
588 LFQ 0.8832
589 TAG 0.8831
590 CKA 0.8829
591 1P8 0.8828
592 36R 0.8827
593 SKM 0.8827
594 LVD 0.8826
595 3QM 0.8826
596 ET2 0.8823
597 OCZ 0.8823
598 SOR 0.8822
599 3HM 0.8821
600 NFZ 0.8820
601 DUR 0.8819
602 BSA 0.8817
603 4AU 0.8817
604 20J 0.8817
605 2J1 0.8816
606 GNY 0.8816
607 4FE 0.8815
608 2JK 0.8814
609 3AE 0.8811
610 Q71 0.8810
611 SG2 0.8808
612 9AP 0.8808
613 RD4 0.8808
614 4JT 0.8808
615 1KP 0.8807
616 2LW 0.8806
617 TIY 0.8805
618 8OZ 0.8803
619 JF1 0.8803
620 JAH 0.8802
621 DMD 0.8802
622 92K 0.8801
623 ZSP 0.8801
624 CLW 0.8800
625 2UZ 0.8800
626 H70 0.8800
627 JFJ 0.8800
628 F9Y 0.8799
629 259 0.8799
630 6PB 0.8798
631 L1T 0.8797
632 BZ3 0.8796
633 DTR 0.8796
634 4TU 0.8795
635 ARG 0.8794
636 CLZ 0.8794
637 4NZ 0.8793
638 H5B 0.8793
639 IAC 0.8793
640 A51 0.8793
641 9BF 0.8792
642 HJ7 0.8792
643 SOJ 0.8792
644 SHA 0.8790
645 MPK 0.8789
646 M3P 0.8789
647 QSH 0.8788
648 YPN 0.8788
649 K7M 0.8788
650 5RP 0.8787
651 M6Z 0.8787
652 XX2 0.8783
653 0K7 0.8782
654 9B3 0.8781
655 GLO 0.8780
656 QBK 0.8779
657 5VM 0.8779
658 3HB 0.8778
659 DEE 0.8778
660 505 0.8777
661 7I2 0.8777
662 GAB 0.8776
663 S0E 0.8771
664 5WV 0.8771
665 ZEA 0.8770
666 M78 0.8770
667 AH3 0.8769
668 M4E 0.8769
669 DNQ 0.8768
670 0UL 0.8768
671 QBS 0.8768
672 4ZF 0.8766
673 A9P 0.8765
674 NDG 0.8765
675 XRS 0.8764
676 IOP 0.8764
677 4Z4 0.8764
678 2AK 0.8764
679 KT7 0.8763
680 URC 0.8762
681 GB5 0.8761
682 IA2 0.8760
683 L13 0.8760
684 NAG 0.8760
685 HNH 0.8759
686 F02 0.8759
687 H4B 0.8757
688 RQD 0.8756
689 KLS 0.8756
690 A7W 0.8755
691 OQC 0.8755
692 4CS 0.8753
693 80G 0.8753
694 PLP 0.8751
695 AZ9 0.8751
696 4JC 0.8751
697 7WR 0.8750
698 1BN 0.8749
699 TR4 0.8746
700 4Z1 0.8746
701 JA8 0.8745
702 LDR 0.8744
703 LR5 0.8744
704 JF6 0.8741
705 KMH 0.8740
706 PDC 0.8739
707 PRA 0.8739
708 U7E 0.8739
709 SSB 0.8738
710 5RN 0.8735
711 YE7 0.8734
712 S7J 0.8734
713 WS7 0.8733
714 ALA ALA 0.8733
715 F12 0.8733
716 HPT 0.8732
717 1P7 0.8732
718 HHH 0.8731
719 MS9 0.8731
720 4SX 0.8730
721 ICO 0.8730
722 F18 0.8730
723 ODO 0.8729
724 APS 0.8729
725 UN1 0.8728
726 EA1 0.8727
727 AMQ 0.8727
728 0P6 0.8726
729 8D6 0.8723
730 HG3 0.8722
731 3ID 0.8722
732 14W 0.8721
733 LFC 0.8721
734 G12 0.8720
735 B5D 0.8720
736 LUM 0.8719
737 DE3 0.8718
738 QMS 0.8717
739 FBF 0.8715
740 6J5 0.8714
741 MR6 0.8714
742 3Z8 0.8714
743 8TX 0.8711
744 5B1 0.8711
745 2J2 0.8710
746 0RY 0.8707
747 F4K 0.8707
748 717 0.8705
749 4FH 0.8704
750 3R6 0.8702
751 LLT 0.8702
752 5OO 0.8700
753 DGL 0.8699
754 2UB 0.8699
755 MOK 0.8698
756 3PG 0.8698
757 5AD 0.8697
758 THM 0.8697
759 3W8 0.8696
760 3HP 0.8696
761 OVM 0.8696
762 N4E 0.8693
763 MR1 0.8692
764 X0V 0.8692
765 EV0 0.8691
766 RM1 0.8691
767 GGB 0.8691
768 DHR 0.8690
769 2GQ 0.8690
770 8CC 0.8687
771 K25 0.8686
772 E4P 0.8685
773 3MB 0.8685
774 5VU 0.8685
775 WSD 0.8685
776 53C 0.8683
777 DK1 0.8681
778 AH6 0.8681
779 8CM 0.8680
780 3HG 0.8675
781 M4S 0.8675
782 EUG 0.8674
783 DHY 0.8674
784 NDH 0.8674
785 RP5 0.8673
786 Q02 0.8672
787 P9E 0.8672
788 LO1 0.8672
789 K7H 0.8671
790 I3A 0.8668
791 B85 0.8667
792 G6P 0.8666
793 BRT 0.8666
794 IQ5 0.8664
795 EUE 0.8662
796 TTL 0.8662
797 SEP 0.8661
798 OW4 0.8660
799 KYA 0.8660
800 DBS 0.8659
801 CTL 0.8659
802 QMR 0.8657
803 GHM 0.8656
804 P4L 0.8656
805 F6P 0.8655
806 M2K 0.8654
807 1PS 0.8653
808 TOF 0.8653
809 1AL 0.8652
810 N1E 0.8652
811 OKG 0.8650
812 STT 0.8646
813 IL5 0.8646
814 EKZ 0.8645
815 47V 0.8645
816 K44 0.8644
817 BIO 0.8644
818 9FH 0.8643
819 5V7 0.8641
820 1Z8 0.8640
821 2WU 0.8640
822 QWN 0.8640
823 4KL 0.8638
824 JF8 0.8637
825 APZ 0.8637
826 A9B 0.8635
827 SN4 0.8634
828 C4E 0.8633
829 E1K 0.8633
830 HBI 0.8632
831 HPS 0.8630
832 2B4 0.8628
833 DHK 0.8627
834 AHL 0.8626
835 S98 0.8625
836 IV2 0.8622
837 F40 0.8622
838 BVS 0.8620
839 GXD 0.8618
840 OVV 0.8617
841 42J 0.8616
842 JTH 0.8614
843 WCE 0.8613
844 50C 0.8609
845 4CM 0.8607
846 NCV 0.8606
847 AZM 0.8601
848 EV2 0.8601
849 ACA 0.8599
850 RVE 0.8596
851 3AB 0.8596
852 209 0.8596
853 M4N 0.8593
854 DHM 0.8591
855 GWM 0.8591
856 5HN 0.8591
857 QXW 0.8590
858 6C8 0.8584
859 B55 0.8581
860 6R8 0.8580
861 27M 0.8580
862 HNE 0.8577
863 CUQ 0.8575
864 4AA 0.8573
865 RMN 0.8564
866 PIQ 0.8564
867 J9W 0.8563
868 W81 0.8563
869 MUR 0.8563
870 M6P 0.8559
871 7B3 0.8559
872 6FG 0.8558
873 7FU 0.8558
874 WS6 0.8556
875 6VD 0.8555
876 L15 0.8554
877 6X9 0.8552
878 NPA 0.8545
879 FYR 0.8539
880 JY4 0.8538
881 EMZ 0.8538
882 NMJ 0.8533
883 M1Q 0.8532
884 ORO 0.8529
885 CXF 0.8526
886 DNC 0.8522
887 HQT 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V58; Ligand: LZJ; 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: 2v58.bio2) has 43 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V58; Ligand: LZJ; 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: 2v58.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback