Receptor
PDB id Resolution Class Description Source Keywords
4XT6 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV2671 FROM MYCOBACTERIUM TUBERCULOSIS WITH THE TETRAHYDROPTERIDINE RING OF TETRAHYDROFOLATE (THF) MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) TETRAHYDROFOLATE (THF) REDUCTASE NADP+ STRUCTURAL GENOMICSTRUCTURAL GENOMICS CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO MYCOBACTERIUM TUBERCULOSIS PROTEIN AS A DIHYDROFOLATE REDUCTASE FUNCTIONAL ANA CONTRIBUTING TO PARA-AMINOSALICYLIC ACID RESISTANCE BIOCHEMISTRY V. 55 1107 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
44V A:302;
Valid;
none;
submit data
181.195 C7 H11 N5 O C[C@H...
NAP A:301;
Valid;
Atoms found LESS than expected: % Diff = 0.354;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XT8 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV2671 FROM MYCOBACTERIUM TUBERCULOSIS WITH NADP+ AND TRIMETREXATE MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) TRIMETREXATE REDUCTASE STRUCTURAL GENOMICS TB STRUCTURAL CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO MYCOBACTERIUM TUBERCULOSIS PROTEIN AS A DIHYDROFOLATE REDUCTASE FUNCTIONAL ANA CONTRIBUTING TO PARA-AMINOSALICYLIC ACID RESISTANCE BIOCHEMISTRY V. 55 1107 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4XT8 ic50 = 0.28 uM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
2 4XT4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4XT7 ic50 = 93.5 uM TOP C14 H18 N4 O3 COc1cc(cc(....
4 4XT6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4XT5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4XRB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4XT8 ic50 = 0.28 uM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
2 4XT4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4XT7 ic50 = 93.5 uM TOP C14 H18 N4 O3 COc1cc(cc(....
4 4XT6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4XT5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4XRB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4XT8 ic50 = 0.28 uM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
2 4XT4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4XT7 ic50 = 93.5 uM TOP C14 H18 N4 O3 COc1cc(cc(....
4 4XT6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4XT5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4XRB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 44V; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 44V 1 1
2 B62 1 1
3 2K8 0.54717 0.85
4 ZZZ 0.54717 0.927273
5 H4B 0.526316 0.852459
6 BHS 0.526316 0.852459
Ligand no: 2; Ligand: NAP; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 NAD IBO 0.716667 0.972222
8 NAD TDB 0.716667 0.972222
9 A3D 0.712 0.972603
10 NBP 0.707692 0.935065
11 NHD 0.68254 0.958904
12 NJP 0.661417 0.972973
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 AMP NAD 0.606061 0.958904
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 NAJ 0.567164 0.986111
23 A2R 0.563025 0.932432
24 NDC 0.561644 0.922078
25 NA7 0.552846 0.907895
26 ODP 0.551471 0.935065
27 A2P 0.539823 0.930556
28 8ID 0.537313 0.910256
29 NAD BBN 0.525974 0.865854
30 NPW 0.525547 0.8875
31 NZQ 0.521739 0.910256
32 CNA 0.521739 0.959459
33 NAD CJ3 0.519231 0.835294
34 NDP 0.514493 0.922078
35 PO4 PO4 A A A A PO4 0.503937 0.930556
36 1DG 0.503401 0.922078
37 DG1 0.503401 0.922078
38 TXP 0.5 0.922078
39 NMN AMP PO4 0.492958 0.921053
40 XNP 0.492958 0.875
41 25L 0.492308 0.958904
42 25A 0.492063 0.972222
43 NAD NDT 0.490909 0.747368
44 NMN 0.486726 0.888889
45 NGD 0.485714 0.935065
46 9JJ 0.481707 0.8875
47 2AM 0.477876 0.891892
48 NDP DTT 0.461538 0.843373
49 ADP 0.458333 0.945205
50 ADP MG 0.454545 0.944444
51 ADP BEF 0.454545 0.944444
52 A7R 0.452555 0.846154
53 PAP 0.451613 0.931507
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 7L1 0.441558 0.777778
57 ADP PO3 0.44 0.944444
58 AGS 0.44 0.896104
59 ATP MG 0.44 0.944444
60 M33 0.439024 0.906667
61 AR6 AR6 0.438849 0.945205
62 BA3 0.438017 0.945205
63 VO4 ADP 0.4375 0.945946
64 BEF ADP 0.436508 0.918919
65 OAD 0.43609 0.92
66 ADP BMA 0.43609 0.92
67 DQV 0.435714 0.958904
68 HEJ 0.435484 0.945205
69 ATP 0.435484 0.945205
70 OOB 0.435115 0.958904
71 AP5 0.434426 0.945205
72 B4P 0.434426 0.945205
73 GAP 0.433071 0.92
74 0WD 0.432432 0.922078
75 5FA 0.432 0.945205
76 2A5 0.432 0.87013
77 AQP 0.432 0.945205
78 AT4 0.430894 0.907895
79 HQG 0.430769 0.932432
80 00A 0.428571 0.909091
81 8LQ 0.427481 0.907895
82 DAL AMP 0.427481 0.932432
83 CA0 0.427419 0.92
84 ANP MG 0.426357 0.932432
85 ALF ADP 0.426357 0.871795
86 9X8 0.425373 0.871795
87 KG4 0.424 0.92
88 ACP 0.424 0.92
89 NAJ PZO 0.423841 0.897436
90 9SN 0.423358 0.897436
91 WAQ 0.422222 0.884615
92 ACQ 0.421875 0.92
93 V3L 0.421875 0.945205
94 ADQ 0.421053 0.92
95 AR6 0.420635 0.918919
96 APR 0.420635 0.918919
97 ATP A 0.42029 0.958333
98 ATP A A A 0.42029 0.958333
99 CO7 0.419753 0.786517
100 3OD 0.419118 0.92
101 1ZZ 0.419118 0.841463
102 DLL 0.41791 0.958904
103 AD9 0.417323 0.92
104 OVE 0.416667 0.857143
105 NAX 0.416667 0.875
106 QA7 0.416667 0.896104
107 MYR AMP 0.416058 0.841463
108 AV2 0.415385 0.868421
109 A3P 0.414634 0.944444
110 NNR 0.414414 0.72973
111 ALF ADP 3PG 0.413793 0.8625
112 OMR 0.413793 0.831325
113 6YZ 0.412214 0.92
114 ANP 0.410853 0.92
115 A1R 0.410448 0.860759
116 45A 0.409836 0.893333
117 ABM 0.409836 0.893333
118 AMP 0.408333 0.944444
119 A 0.408333 0.944444
120 SON 0.408 0.933333
121 PPS 0.407692 0.829268
122 8LE 0.407692 0.896104
123 5AL 0.407692 0.932432
124 NAI 0.406897 0.909091
125 7D3 0.406504 0.857143
126 AMP MG 0.404959 0.930556
127 ADX 0.404762 0.829268
128 ATF 0.40458 0.907895
129 3UK 0.404412 0.945946
130 AMP DBH 0.404255 0.894737
131 139 0.402685 0.875
132 50T 0.401575 0.906667
133 8LH 0.401515 0.907895
134 SRP 0.401515 0.907895
135 B5V 0.40146 0.933333
136 3AM 0.4 0.90411
137 B5M 0.4 0.921053
138 A3R 0.4 0.860759
139 KMQ 0.4 0.883117
140 FA5 0.4 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: 44V; Similar ligands found: 1259
No: Ligand Similarity coefficient
1 FUL 1.0000
2 DQU 0.9997
3 6ME 0.9993
4 QX4 0.9987
5 44W 0.9947
6 XHP 0.9930
7 0FO 0.9913
8 OTW 0.9910
9 MVN 0.9890
10 HHR 0.9802
11 PH2 0.9789
12 QBK 0.9739
13 4HC 0.9724
14 0P6 0.9720
15 CLZ 0.9719
16 3Z8 0.9700
17 J9W 0.9692
18 PRF 0.9687
19 M1Q 0.9680
20 FDR 0.9675
21 4JQ 0.9666
22 URC 0.9662
23 MEW 0.9659
24 AQO 0.9655
25 MQN 0.9653
26 PE0 0.9653
27 2FQ 0.9650
28 XAZ 0.9630
29 4YO 0.9629
30 KUF 0.9620
31 8CM 0.9620
32 0TU 0.9615
33 M6N 0.9611
34 Q24 0.9604
35 MO8 0.9598
36 AZ8 0.9596
37 M5K 0.9595
38 DRL 0.9595
39 B5D 0.9594
40 AJ2 0.9594
41 Q71 0.9585
42 20J 0.9584
43 MUA 0.9580
44 9R5 0.9572
45 CWS 0.9571
46 TGX 0.9550
47 2AK 0.9545
48 8TX 0.9545
49 INE 0.9540
50 VK3 0.9534
51 HQD 0.9528
52 CTS 0.9521
53 N8Y 0.9510
54 BTY 0.9503
55 75K 0.9490
56 AZ9 0.9486
57 2EC 0.9486
58 COU 0.9481
59 MAQ 0.9477
60 86J 0.9474
61 HHS 0.9473
62 0N7 0.9471
63 OCH 0.9464
64 H42 0.9462
65 5JQ 0.9461
66 AJV 0.9460
67 NQ 0.9457
68 6VD 0.9457
69 KT7 0.9453
70 B60 0.9448
71 BEA 0.9447
72 2HQ 0.9445
73 PQ0 0.9443
74 Q77 0.9438
75 B55 0.9437
76 5QY 0.9434
77 XAN 0.9433
78 9DG 0.9431
79 ES5 0.9430
80 APZ 0.9430
81 3QV 0.9430
82 03V 0.9427
83 RXA 0.9423
84 BGC 0.9420
85 JB5 0.9419
86 3HA 0.9418
87 7ME 0.9412
88 TT4 0.9412
89 5JL 0.9403
90 FBB 0.9400
91 TWO 0.9398
92 DBH 0.9396
93 D07 0.9395
94 2KA 0.9395
95 DOB 0.9394
96 GUN 0.9393
97 TTL 0.9391
98 K2T 0.9388
99 5RO 0.9387
100 IJZ 0.9387
101 7B4 0.9385
102 1LQ 0.9383
103 9MG 0.9382
104 DX3 0.9379
105 4TU 0.9378
106 KJY 0.9377
107 NID 0.9375
108 J9T 0.9375
109 7VS 0.9373
110 8WT 0.9371
111 FA0 0.9371
112 0FK 0.9369
113 8HC 0.9364
114 KIB 0.9363
115 5QX 0.9363
116 2AQ 0.9361
117 FDB 0.9360
118 4MU 0.9360
119 8WO 0.9356
120 ZYR 0.9353
121 8IG 0.9352
122 G3E 0.9352
123 N2I 0.9352
124 4JT 0.9351
125 PYQ 0.9350
126 AZA 0.9346
127 3PF 0.9345
128 VNL 0.9345
129 DIN 0.9340
130 12Q 0.9333
131 2D0 0.9333
132 15E 0.9332
133 24W 0.9331
134 3F0 0.9331
135 SE2 0.9330
136 4FS 0.9330
137 FOT 0.9327
138 ROI 0.9324
139 E7Z 0.9323
140 XQ0 0.9322
141 1SQ 0.9321
142 I3A 0.9319
143 4M0 0.9317
144 9KT 0.9313
145 LI6 0.9312
146 B53 0.9312
147 BHA 0.9311
148 YH7 0.9310
149 ES2 0.9310
150 0XT 0.9310
151 M0W 0.9310
152 M1H 0.9310
153 344 0.9309
154 KJH 0.9306
155 8NX 0.9304
156 8MO 0.9304
157 Q6T 0.9304
158 MRW 0.9303
159 J5I 0.9301
160 5NE 0.9300
161 3DM 0.9300
162 6NT 0.9298
163 141 0.9297
164 ISN 0.9297
165 GXY 0.9296
166 92K 0.9295
167 BOA 0.9294
168 ES1 0.9294
169 FE DB1 0.9294
170 VOH 0.9293
171 D48 0.9292
172 B57 0.9292
173 CH9 0.9291
174 5CU 0.9291
175 4YS 0.9290
176 1NP 0.9290
177 7W1 0.9289
178 97T 0.9289
179 HHA 0.9288
180 42C 0.9287
181 BDP 0.9287
182 4Z4 0.9286
183 BPU 0.9284
184 JBH 0.9283
185 IGA 0.9282
186 NDM 0.9282
187 HQY 0.9280
188 TOF 0.9279
189 3M0 0.9279
190 7W4 0.9278
191 5RN 0.9275
192 3NY 0.9274
193 5SG 0.9273
194 5IQ 0.9272
195 UFO 0.9271
196 1XM 0.9271
197 069 0.9271
198 5WV 0.9270
199 JPZ 0.9270
200 KJU 0.9270
201 5GU 0.9270
202 A7W 0.9268
203 8ZE 0.9267
204 3DO 0.9266
205 3IT 0.9266
206 0W8 0.9264
207 RM1 0.9263
208 H5B 0.9261
209 5Q0 0.9260
210 ES7 0.9260
211 KKN 0.9260
212 CLW 0.9260
213 JBK 0.9259
214 680 0.9259
215 R8V 0.9255
216 HQT 0.9254
217 O72 0.9254
218 THA 0.9254
219 ORO 0.9254
220 AZG 0.9253
221 EN1 0.9253
222 HLZ 0.9251
223 32X 0.9250
224 2A9 0.9250
225 7ZE 0.9250
226 C2U 0.9246
227 4ME 0.9245
228 1LM 0.9244
229 JXN 0.9243
230 V55 0.9243
231 MS9 0.9241
232 LT2 0.9241
233 4KL 0.9241
234 3FH 0.9241
235 JG8 0.9240
236 DBJ 0.9239
237 Z5P 0.9239
238 2ZM 0.9239
239 VXX 0.9237
240 DHK 0.9237
241 G3F 0.9233
242 2AL 0.9232
243 A13 0.9232
244 AJY 0.9231
245 N5J 0.9230
246 HJP 0.9230
247 209 0.9230
248 ASC 0.9230
249 VGD 0.9230
250 EA1 0.9230
251 X05 0.9230
252 Q7A 0.9229
253 TTY 0.9228
254 BCU 0.9225
255 37T 0.9225
256 36R 0.9225
257 7B3 0.9225
258 9FL 0.9225
259 NGA 0.9224
260 94W 0.9224
261 DPZ 0.9223
262 JXZ 0.9223
263 HKD 0.9222
264 GLC 0.9222
265 ET2 0.9220
266 GJP 0.9220
267 7MU 0.9220
268 NDH 0.9219
269 8W9 0.9218
270 UAN 0.9218
271 2ZQ 0.9217
272 3WA 0.9217
273 PEY 0.9216
274 ADZ 0.9216
275 1HN 0.9216
276 4RU 0.9214
277 KYA 0.9213
278 3MG 0.9213
279 GZL 0.9213
280 DX4 0.9212
281 DHQ 0.9212
282 1P7 0.9210
283 2LY 0.9209
284 UNC 0.9208
285 HH5 0.9208
286 JND 0.9206
287 LTM 0.9206
288 SKA 0.9206
289 NAG 0.9206
290 0FN 0.9205
291 IV2 0.9204
292 PXL 0.9204
293 CWM 0.9203
294 1P8 0.9203
295 ICO 0.9203
296 TH7 0.9203
297 A2F 0.9202
298 ST2 0.9202
299 SXS 0.9202
300 CFP 0.9200
301 5WY 0.9200
302 QPR 0.9200
303 TYL 0.9198
304 JTH 0.9197
305 CTL 0.9197
306 27B 0.9195
307 A29 0.9194
308 INO 0.9194
309 LDR 0.9193
310 DRG 0.9191
311 290 0.9190
312 92P 0.9190
313 H33 0.9190
314 12T 0.9189
315 GCS 0.9189
316 ODO 0.9188
317 X09 0.9187
318 15N 0.9187
319 LYL 0.9186
320 BZX 0.9186
321 5VM 0.9182
322 5XC 0.9182
323 6AP 0.9181
324 KDV 0.9181
325 Q88 0.9181
326 CFF 0.9181
327 OVM 0.9181
328 8XL 0.9180
329 8S0 0.9178
330 5NU 0.9177
331 4XH 0.9177
332 GDE 0.9177
333 PJW 0.9175
334 5OB 0.9173
335 BZJ 0.9172
336 ES0 0.9171
337 0HO 0.9171
338 2FY 0.9169
339 TEP 0.9169
340 KIA 0.9168
341 DNA 0.9166
342 SYA 0.9165
343 PRZ 0.9163
344 M1E 0.9163
345 6GU 0.9161
346 6NI 0.9161
347 39O 0.9160
348 J6W 0.9160
349 SWA 0.9159
350 9CA 0.9158
351 BZ3 0.9157
352 7HQ 0.9156
353 IPB 0.9155
354 8H8 0.9155
355 5NI 0.9153
356 DHB 0.9152
357 3ID 0.9151
358 M2K 0.9151
359 C2Y 0.9150
360 EOL 0.9150
361 9AP 0.9150
362 SYV 0.9150
363 ABI 0.9149
364 4NC 0.9149
365 PXM 0.9148
366 OXC 0.9145
367 AKH 0.9144
368 46P 0.9143
369 LGC 0.9142
370 JXW 0.9142
371 GAL 0.9142
372 PDC 0.9142
373 AA 0.9140
374 3A9 0.9139
375 HH8 0.9139
376 15L 0.9139
377 GAB 0.9139
378 B56 0.9138
379 MYJ 0.9138
380 7VJ 0.9138
381 7NI 0.9137
382 2F6 0.9137
383 93K 0.9137
384 HMH 0.9136
385 CWJ 0.9135
386 0JD 0.9135
387 DIU 0.9135
388 IFP 0.9134
389 FYU 0.9133
390 IFL 0.9132
391 SHA 0.9131
392 TSS 0.9131
393 OW4 0.9129
394 6RQ 0.9128
395 MR1 0.9128
396 1F1 0.9127
397 NOJ 0.9127
398 DEE 0.9124
399 ZVO 0.9123
400 N0Z 0.9120
401 ANF 0.9120
402 NDG 0.9120
403 5WX 0.9119
404 1QP 0.9118
405 2BG 0.9118
406 12B 0.9117
407 2HU 0.9117
408 J9Q 0.9116
409 495 0.9115
410 0HN 0.9114
411 1KP 0.9113
412 E35 0.9112
413 I6G 0.9111
414 ASO 0.9110
415 GVG 0.9109
416 XIY 0.9109
417 PNZ 0.9108
418 OA3 0.9107
419 GCU 0.9106
420 F0J 0.9105
421 5WU 0.9104
422 948 0.9104
423 5RG 0.9104
424 GZ8 0.9103
425 4AA 0.9102
426 1IT 0.9098
427 HA7 0.9098
428 G5V 0.9097
429 CN0 0.9097
430 MWP 0.9097
431 DIE 0.9095
432 QUZ 0.9094
433 94B 0.9094
434 C9E 0.9094
435 3CU 0.9091
436 TIY 0.9090
437 LNR 0.9090
438 P9P 0.9088
439 9ZE 0.9087
440 X8D 0.9086
441 EUG 0.9086
442 4M4 0.9086
443 2K4 0.9085
444 MT0 0.9084
445 1XN 0.9083
446 1A7 0.9083
447 ALL 0.9083
448 LCN 0.9083
449 ZZT 0.9083
450 JBQ 0.9081
451 5MI 0.9080
452 ESI 0.9080
453 4CS 0.9080
454 GTQ 0.9079
455 6KT 0.9077
456 F05 0.9076
457 NOY 0.9075
458 3NT 0.9074
459 CK1 0.9073
460 GM7 0.9072
461 428 0.9072
462 173 0.9072
463 HPA 0.9072
464 GJS 0.9070
465 4HM 0.9070
466 BCP 0.9070
467 JU2 0.9070
468 QAT 0.9068
469 NGT 0.9067
470 NGW 0.9067
471 MT5 0.9067
472 XX2 0.9066
473 3MB 0.9066
474 68A 0.9066
475 MAN 0.9065
476 1XA 0.9064
477 23J 0.9064
478 LZM 0.9062
479 JDN 0.9061
480 JAE 0.9061
481 L99 0.9061
482 HIS 0.9061
483 67N 0.9060
484 WOO 0.9059
485 DMD 0.9059
486 NSP 0.9059
487 BTE 0.9059
488 DOR 0.9057
489 0CU 0.9056
490 D1X 0.9056
491 HMU 0.9055
492 BK9 0.9055
493 GNL 0.9054
494 NSG 0.9054
495 JF1 0.9054
496 E1T 0.9053
497 4A3 0.9052
498 F2W 0.9052
499 SJ5 0.9051
500 5B1 0.9050
501 GC3 0.9049
502 GRE 0.9049
503 QAS 0.9047
504 APS 0.9047
505 46M 0.9047
506 3HM 0.9046
507 K3Q 0.9046
508 PX7 0.9045
509 3HB 0.9045
510 5NS 0.9043
511 N3W 0.9041
512 E7S 0.9041
513 8XQ 0.9040
514 HBO 0.9039
515 M0Q 0.9038
516 NPY 0.9037
517 329 0.9036
518 DNC 0.9036
519 52C 0.9035
520 G2F 0.9035
521 GDL 0.9034
522 M1A 0.9034
523 SHG 0.9034
524 AW5 0.9034
525 6AI 0.9033
526 PFB 0.9033
527 1M2 0.9032
528 E5X 0.9032
529 EYK 0.9032
530 ARP 0.9031
531 4BL 0.9030
532 HQJ 0.9030
533 LSA 0.9030
534 SOR 0.9030
535 CK2 0.9027
536 FHB 0.9027
537 54G 0.9027
538 FLV 0.9027
539 SKM 0.9026
540 QSB 0.9026
541 2HO 0.9025
542 QUS 0.9025
543 34D 0.9024
544 5M0 0.9024
545 NNO 0.9023
546 HHT 0.9023
547 GCB 0.9022
548 CHB 0.9022
549 GTR 0.9021
550 BPY 0.9020
551 3BU 0.9020
552 JUG 0.9019
553 5VL 0.9019
554 5H1 0.9018
555 B2J 0.9018
556 14O 0.9017
557 2CK 0.9015
558 AP4 0.9014
559 KW8 0.9014
560 F12 0.9013
561 ZZ8 0.9013
562 3ZB 0.9012
563 PD2 0.9011
564 HZQ 0.9010
565 6BL 0.9010
566 6M9 0.9010
567 F60 0.9009
568 UEG 0.9009
569 SAL 0.9009
570 DNF 0.9007
571 GHM 0.9007
572 YQA 0.9007
573 AX3 0.9007
574 JF2 0.9006
575 42A 0.9005
576 JAW 0.9005
577 1WC 0.9004
578 24B 0.9002
579 F9Y 0.9001
580 SLS 0.9000
581 ZXD 0.9000
582 0F9 0.9000
583 51R 0.8998
584 KBG 0.8997
585 FK1 0.8997
586 NCT 0.8997
587 LOG 0.8996
588 8G0 0.8996
589 BE2 0.8996
590 XM0 0.8996
591 NTZ 0.8995
592 ES9 0.8994
593 4V2 0.8993
594 9TZ 0.8993
595 DBX 0.8993
596 K32 0.8992
597 SVN 0.8992
598 QSH 0.8992
599 LZ2 0.8991
600 3U4 0.8991
601 5MB 0.8990
602 4I8 0.8990
603 3AL 0.8990
604 7HP 0.8990
605 11S 0.8989
606 EVA 0.8989
607 6FZ 0.8989
608 ABV 0.8988
609 G1O 0.8988
610 BBK 0.8988
611 HNQ 0.8987
612 LDP 0.8986
613 ADE 0.8986
614 53C 0.8980
615 SOE 0.8979
616 5HN 0.8978
617 7FF 0.8977
618 CKA 0.8977
619 6F0 0.8977
620 GLT 0.8976
621 F31 0.8976
622 R9Y 0.8975
623 IHB 0.8975
624 PQK 0.8974
625 X0V 0.8974
626 GIV 0.8974
627 3AB 0.8973
628 4BY 0.8972
629 UNJ 0.8971
630 EV0 0.8970
631 4VS 0.8970
632 0W1 0.8970
633 6M4 0.8969
634 ADA 0.8967
635 4V6 0.8967
636 HLD 0.8966
637 H4N 0.8965
638 L5V 0.8965
639 S24 0.8965
640 06B 0.8965
641 FBT 0.8965
642 9TW 0.8964
643 8OZ 0.8961
644 DFB 0.8961
645 AOS 0.8960
646 CFI 0.8960
647 0GZ 0.8959
648 SRO 0.8958
649 28N 0.8958
650 V1T 0.8957
651 FBG 0.8957
652 L22 0.8956
653 H7Y 0.8956
654 AN3 0.8956
655 GOX 0.8954
656 BHO 0.8952
657 39A 0.8951
658 EQT 0.8950
659 0RW 0.8950
660 EJZ 0.8950
661 ES6 0.8950
662 OVV 0.8949
663 K22 0.8949
664 3J8 0.8948
665 ONR 0.8947
666 I3E 0.8947
667 6M1 0.8947
668 WSD 0.8946
669 JYB 0.8946
670 GNM 0.8944
671 M4E 0.8944
672 ISZ 0.8944
673 MVL 0.8944
674 A2G 0.8943
675 GCV 0.8943
676 8NY 0.8942
677 X0U 0.8941
678 3OC 0.8940
679 GCW 0.8940
680 5TY 0.8940
681 HX3 0.8940
682 NFM 0.8939
683 NMJ 0.8938
684 HA5 0.8938
685 NIZ 0.8938
686 BSX 0.8937
687 293 0.8937
688 OQC 0.8937
689 XXP 0.8936
690 A7H 0.8935
691 3R6 0.8934
692 ESP 0.8934
693 537 0.8933
694 GCO 0.8933
695 7WR 0.8932
696 226 0.8931
697 G12 0.8931
698 1SS 0.8931
699 OW7 0.8929
700 30G 0.8929
701 GSY 0.8928
702 GYE 0.8928
703 LKA 0.8928
704 GF4 0.8927
705 PHE 0.8926
706 PFL 0.8925
707 N7I 0.8925
708 NHG 0.8925
709 9RW 0.8924
710 XXR 0.8924
711 6CS 0.8923
712 FBW 0.8923
713 WCE 0.8922
714 RPQ 0.8922
715 E7R 0.8922
716 82I 0.8921
717 NPO 0.8921
718 4P5 0.8921
719 KTA 0.8920
720 BMA 0.8919
721 EGR 0.8918
722 YSO 0.8918
723 JKZ 0.8918
724 IF7 0.8917
725 3BZ 0.8916
726 J9N 0.8915
727 II6 0.8913
728 261 0.8913
729 3GQ 0.8913
730 2GS 0.8911
731 AX7 0.8910
732 AY4 0.8910
733 ANN 0.8910
734 ICB 0.8909
735 25W 0.8909
736 4RW 0.8908
737 5MK 0.8905
738 BZ2 0.8905
739 K37 0.8905
740 BGU 0.8905
741 ESX 0.8903
742 M5N 0.8902
743 9EW 0.8900
744 JKE 0.8900
745 JB8 0.8900
746 EKZ 0.8899
747 FBU 0.8899
748 UFV 0.8899
749 KTJ 0.8898
750 OMD 0.8898
751 2H5 0.8897
752 FGZ 0.8897
753 EDR 0.8893
754 ZWZ 0.8892
755 PBA 0.8892
756 BRT 0.8890
757 W81 0.8890
758 XM5 0.8890
759 HLR 0.8889
760 GLF 0.8889
761 FP1 0.8889
762 ZB1 0.8889
763 PHB 0.8889
764 6QF 0.8888
765 JR2 0.8888
766 2MI 0.8887
767 RZH 0.8886
768 K44 0.8886
769 PHH 0.8884
770 9FE 0.8883
771 67X 0.8883
772 SWD 0.8883
773 GLA 0.8882
774 KOJ 0.8879
775 J01 0.8879
776 6XI 0.8879
777 091 0.8878
778 149 0.8877
779 FBM 0.8875
780 60Q 0.8874
781 HTP 0.8874
782 A65 0.8874
783 K17 0.8874
784 AS3 0.8873
785 RNS 0.8873
786 NGO 0.8873
787 PAB 0.8873
788 X0W 0.8872
789 4BZ 0.8870
790 MNN 0.8869
791 1DJ 0.8868
792 RMN 0.8868
793 S76 0.8867
794 F1A 0.8867
795 EMZ 0.8866
796 R20 0.8866
797 ST3 0.8866
798 PA1 0.8866
799 4XV 0.8865
800 EXD 0.8865
801 64C 0.8865
802 F9P 0.8864
803 XYP 0.8864
804 FBV 0.8863
805 IWT 0.8862
806 HDH 0.8860
807 1WG 0.8860
808 2HC 0.8860
809 10L 0.8859
810 8GC 0.8858
811 PZI 0.8858
812 IAC 0.8857
813 SX1 0.8856
814 NTM 0.8854
815 OTD 0.8854
816 P72 0.8853
817 270 0.8852
818 2CZ 0.8852
819 KMY 0.8852
820 GV9 0.8850
821 ZZ3 0.8850
822 K2P 0.8849
823 2CQ 0.8849
824 6FB 0.8849
825 PHT 0.8849
826 4XR 0.8849
827 3Y7 0.8847
828 MSR 0.8847
829 1U6 0.8847
830 3Z7 0.8847
831 QWN 0.8846
832 MAJ 0.8846
833 QXW 0.8846
834 XCZ 0.8846
835 3SK 0.8845
836 BPN 0.8844
837 23A 0.8843
838 LT8 0.8842
839 X11 0.8841
840 2FG 0.8841
841 GIM 0.8841
842 MAG 0.8840
843 NVU 0.8840
844 1DW 0.8839
845 TVP 0.8838
846 H62 0.8838
847 SG2 0.8837
848 FCR 0.8837
849 AFR 0.8836
850 RHU 0.8836
851 2F8 0.8835
852 BNT 0.8835
853 SNG 0.8834
854 L46 0.8834
855 F6P 0.8833
856 7MK 0.8831
857 NLA 0.8831
858 GXL 0.8830
859 FHC 0.8830
860 3RK 0.8830
861 G6D 0.8830
862 FA3 0.8830
863 3R4 0.8828
864 5VJ 0.8828
865 X8Z 0.8827
866 18N 0.8827
867 AHR 0.8827
868 WS7 0.8827
869 49O 0.8827
870 4FH 0.8826
871 YRL 0.8825
872 DGJ 0.8824
873 GZQ 0.8824
874 E1K 0.8823
875 MZB 0.8821
876 RAM 0.8821
877 GTL 0.8820
878 7WA 0.8820
879 6E8 0.8820
880 7MX 0.8820
881 42J 0.8820
882 1WD 0.8820
883 H6B 0.8819
884 549 0.8818
885 HNT 0.8818
886 TXW 0.8818
887 4ZA 0.8817
888 1X7 0.8816
889 MJ2 0.8816
890 39U 0.8815
891 FB1 0.8815
892 K82 0.8814
893 8NB 0.8812
894 AMH 0.8812
895 IBM 0.8812
896 1P3 0.8812
897 BP1 0.8810
898 54X 0.8810
899 4SV 0.8810
900 0LH 0.8807
901 MD6 0.8807
902 F4E 0.8807
903 9HX 0.8806
904 9DA 0.8806
905 4SX 0.8806
906 M1Z 0.8805
907 M6Z 0.8804
908 DPT 0.8804
909 SLC 0.8804
910 GTZ 0.8803
911 IFM 0.8803
912 5FN 0.8802
913 6MP 0.8802
914 259 0.8802
915 GLO 0.8802
916 MNM 0.8802
917 VNJ 0.8801
918 DQN 0.8801
919 BM3 0.8800
920 S60 0.8800
921 SMN 0.8800
922 DA4 0.8800
923 AEZ 0.8799
924 MUR 0.8799
925 2ZV 0.8798
926 AC6 0.8797
927 TAG 0.8797
928 4XS 0.8796
929 86L 0.8795
930 YIO 0.8794
931 MHK 0.8793
932 263 0.8792
933 SNU 0.8792
934 61O 0.8791
935 OVP 0.8790
936 BA5 0.8790
937 TBS 0.8790
938 GIO 0.8790
939 JBE 0.8789
940 KLW 0.8789
941 GLY PRO 0.8789
942 A5E 0.8787
943 1GN 0.8786
944 ANC 0.8786
945 IUP 0.8786
946 GWM 0.8784
947 PBZ 0.8784
948 XX3 0.8783
949 F69 0.8783
950 2UZ 0.8782
951 UQ 0.8781
952 2MN 0.8781
953 FH2 0.8778
954 7I2 0.8778
955 HBD 0.8778
956 LXC 0.8778
957 LZB 0.8777
958 SVD 0.8777
959 URF 0.8776
960 150 0.8775
961 K25 0.8775
962 8GK 0.8775
963 RH1 0.8774
964 QBM 0.8773
965 MOK 0.8773
966 X6X 0.8773
967 EXO 0.8773
968 PHU 0.8772
969 54Z 0.8772
970 0J5 0.8771
971 1PT 0.8771
972 XDE 0.8770
973 FSW 0.8770
974 G4D 0.8769
975 XQG 0.8768
976 ST1 0.8767
977 CFA 0.8767
978 GAF 0.8766
979 FDK 0.8765
980 BDF 0.8765
981 F81 0.8764
982 H4E 0.8763
983 QX2 0.8763
984 6X9 0.8762
985 MQG 0.8762
986 ZME 0.8762
987 2LP 0.8761
988 BSP 0.8760
989 582 0.8760
990 4FA 0.8760
991 4WL 0.8760
992 7VP 0.8758
993 TZF 0.8758
994 4P0 0.8758
995 DHC 0.8758
996 FUD 0.8757
997 MXN 0.8755
998 GTC 0.8755
999 ISE 0.8755
1000 KJ5 0.8754
1001 PZM 0.8753
1002 SNO 0.8753
1003 61M 0.8752
1004 Z82 0.8752
1005 JRB 0.8751
1006 363 0.8751
1007 505 0.8750
1008 9LI 0.8750
1009 4AN 0.8750
1010 AIN 0.8750
1011 9BF 0.8749
1012 878 0.8749
1013 MBG 0.8749
1014 795 0.8745
1015 K34 0.8745
1016 6LW 0.8744
1017 QWW 0.8744
1018 D3G 0.8744
1019 BQ2 0.8744
1020 APG 0.8744
1021 GO8 0.8742
1022 MPV 0.8742
1023 4NM 0.8740
1024 LAO 0.8740
1025 QQQ 0.8740
1026 S0E 0.8740
1027 JVN 0.8739
1028 OTR 0.8738
1029 TSR 0.8738
1030 RUY 0.8738
1031 JP2 0.8737
1032 4TE 0.8735
1033 L14 0.8734
1034 SAN 0.8734
1035 4MA 0.8732
1036 3RI 0.8732
1037 F5B 0.8731
1038 GOG 0.8730
1039 KIF 0.8730
1040 GT0 0.8729
1041 57O 0.8729
1042 HC4 0.8729
1043 CIP 0.8728
1044 BHQ 0.8728
1045 2D3 0.8728
1046 JA8 0.8727
1047 1Y6 0.8727
1048 7D2 0.8727
1049 P92 0.8726
1050 C8O 0.8726
1051 717 0.8726
1052 INS 0.8725
1053 TSU 0.8725
1054 1Z6 0.8724
1055 CPZ 0.8723
1056 ES4 0.8722
1057 MIG 0.8721
1058 LQ2 0.8721
1059 95Z 0.8720
1060 9UL 0.8720
1061 AMG 0.8720
1062 6OT 0.8718
1063 7WV 0.8717
1064 W8G 0.8717
1065 KGK 0.8714
1066 4A5 0.8714
1067 TC7 0.8713
1068 RNO 0.8713
1069 MS0 0.8713
1070 45C 0.8711
1071 F4Z 0.8710
1072 DHY 0.8710
1073 AEF 0.8710
1074 DMJ 0.8710
1075 K6X 0.8709
1076 KP6 0.8709
1077 1L5 0.8706
1078 O2A 0.8705
1079 WBU 0.8705
1080 1AL 0.8704
1081 4NB 0.8704
1082 ALE 0.8703
1083 KTW 0.8701
1084 LEL 0.8700
1085 4NO 0.8698
1086 JTA 0.8697
1087 AAS 0.8696
1088 826 0.8695
1089 HBI 0.8695
1090 BNL 0.8695
1091 9PY 0.8693
1092 XQK 0.8693
1093 VM1 0.8693
1094 L7T 0.8691
1095 GO2 0.8691
1096 9KH 0.8690
1097 SR4 0.8690
1098 PM6 0.8689
1099 PIY 0.8688
1100 2O6 0.8686
1101 GNV 0.8685
1102 HBA 0.8685
1103 VC2 0.8685
1104 MT8 0.8683
1105 QIC 0.8683
1106 RB5 0.8682
1107 JXK 0.8679
1108 2JK 0.8679
1109 GYP 0.8679
1110 E3D 0.8675
1111 4VP 0.8675
1112 BCF 0.8673
1113 OHP 0.8671
1114 174 0.8670
1115 HX4 0.8670
1116 XXG 0.8666
1117 MNS 0.8665
1118 JLZ 0.8665
1119 H2B 0.8664
1120 KBB 0.8663
1121 4VY 0.8663
1122 36E 0.8662
1123 PAC 0.8660
1124 6TZ 0.8660
1125 8VE 0.8657
1126 LL1 0.8657
1127 HRM 0.8656
1128 5LA 0.8654
1129 HHH 0.8654
1130 IBF 0.8653
1131 R6T 0.8653
1132 FA6 0.8653
1133 Q02 0.8651
1134 BIO 0.8651
1135 SKF 0.8651
1136 6DP 0.8651
1137 0BP 0.8650
1138 PYD 0.8648
1139 NCD 0.8643
1140 6HO 0.8641
1141 DUR 0.8641
1142 ALA PRO 0.8640
1143 JFD 0.8640
1144 FBS 0.8640
1145 QMS 0.8640
1146 IDM 0.8639
1147 TYR 0.8637
1148 ADK 0.8636
1149 N4E 0.8636
1150 ZEC 0.8635
1151 FA1 0.8635
1152 260 0.8635
1153 XYD 0.8634
1154 DK1 0.8634
1155 BEN 0.8631
1156 BBF 0.8630
1157 JBZ 0.8630
1158 PBC 0.8630
1159 FRU 0.8629
1160 MMA 0.8628
1161 692 0.8628
1162 N2M 0.8627
1163 64E 0.8627
1164 QY9 0.8625
1165 K5W 0.8624
1166 BEZ 0.8624
1167 EAE 0.8621
1168 N1E 0.8620
1169 PIM 0.8620
1170 EPR 0.8618
1171 EUE 0.8618
1172 FAN 0.8618
1173 CDI 0.8617
1174 4J8 0.8614
1175 CEG 0.8613
1176 2GQ 0.8612
1177 GIF 0.8611
1178 SW7 0.8611
1179 DQA 0.8611
1180 OSB 0.8611
1181 0FR 0.8610
1182 NIO 0.8609
1183 3TJ 0.8608
1184 6PC 0.8607
1185 EWG 0.8603
1186 ZSP 0.8602
1187 5OF 0.8602
1188 P7Y 0.8601
1189 5GV 0.8598
1190 MZM 0.8598
1191 JIF 0.8597
1192 FHN 0.8596
1193 5MH 0.8595
1194 FLC 0.8594
1195 BZE 0.8593
1196 AGK 0.8592
1197 CIY 0.8590
1198 4ZC 0.8589
1199 MCT 0.8588
1200 DHR 0.8586
1201 3MA 0.8586
1202 JZ2 0.8583
1203 TFU 0.8582
1204 UNU 0.8581
1205 TDR 0.8580
1206 P9E 0.8579
1207 AC2 0.8577
1208 5XB 0.8577
1209 NK 0.8577
1210 TH0 0.8576
1211 M3S 0.8576
1212 SYR 0.8574
1213 1MC 0.8570
1214 0J4 0.8570
1215 HFB 0.8569
1216 XFE 0.8569
1217 GLU 0.8568
1218 3XR 0.8567
1219 4HO 0.8565
1220 RD4 0.8565
1221 ZYQ 0.8563
1222 5V7 0.8561
1223 RA7 0.8560
1224 4JJ 0.8559
1225 36Y 0.8559
1226 AZF 0.8559
1227 NDD 0.8559
1228 43M 0.8558
1229 MXX 0.8558
1230 XBZ 0.8557
1231 4CL 0.8556
1232 TPA 0.8556
1233 ICT 0.8555
1234 6R8 0.8553
1235 2AC 0.8552
1236 2MP 0.8550
1237 S7J 0.8549
1238 CCV 0.8548
1239 FIX 0.8548
1240 M3H 0.8548
1241 34A 0.8547
1242 ICP 0.8547
1243 5GT 0.8544
1244 CSN 0.8542
1245 CIT 0.8538
1246 7N0 0.8537
1247 MZG 0.8536
1248 AC0 0.8530
1249 5OO 0.8530
1250 4HP 0.8530
1251 FTV 0.8529
1252 V6F 0.8529
1253 IUR 0.8520
1254 TRP 0.8520
1255 2BX 0.8519
1256 PRY 0.8515
1257 JZ4 0.8515
1258 MWJ 0.8513
1259 PSJ 0.8510
Ligand no: 2; Ligand: NAP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 TXD 0.9146
2 6V0 0.9079
3 AP0 0.8967
4 TXE 0.8646
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XT8; Ligand: TMQ; 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: 4xt8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XT8; Ligand: TMQ; 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: 4xt8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XT8; Ligand: NAP; 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: 4xt8.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XT8; Ligand: NAP; 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: 4xt8.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
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