Receptor
PDB id Resolution Class Description Source Keywords
6c9q 1.95 Å EC: 2.7.1.20 MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO 5'-AMIN MYCOBACTERIUM TUBERCULOSIS NUCLEOSIDE ANALOG COMPLEX INHIBITOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTBSGC TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-GUIDED DRUG DESIGN OF 6-SUBSTITUTED ADENO ANALOGUES AS POTENT INHIBITORS OF MYCOBACTERIUM TUB ADENOSINE KINASE. J.MED.CHEM. V. 62 4483 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5N5 A:401;
 Valid;
 none;
 submit data
266.257 C10 H14 N6 O3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C9V 1.7 Å EC: 2.7.1.20 MYCOBACTERIUM TUBERCULOSIS ADENOSINE KINASE BOUND TO (2R,3S, (HYDROXYMETHYL)-5-(6-(4-PHENYLPIPERAZIN-1-YL)-9H-PURIN-9-YLT ETRAHYDROFURAN-3,4-DIOL MYCOBACTERIUM TUBERCULOSIS NUCLEOSIDE ANALOG COMPLEX INHIBITOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTBSGC TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-GUIDED DRUG DESIGN OF 6-SUBSTITUTED ADENO ANALOGUES AS POTENT INHIBITORS OF MYCOBACTERIUM TUB ADENOSINE KINASE. J.MED.CHEM. V. 62 4483 2019
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4PVV ic50 = 0.33 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
2 6C9V Ki = 120.2 nM ERS C20 H24 N6 O4 c1ccc(cc1)....
3 4O1G - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
4 2PKK - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
5 6C9S - ERP C24 H20 N4 O4 c1ccc(cc1)....
6 2PKM - ADN C10 H13 N5 O4 c1nc(c2c(n....
7 6C9Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
8 6C67 - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
9 6C9N - SGV C12 H15 N5 O5 c1c(c2c(nc....
10 6C9R - ERJ C14 H14 N4 O4 S c1cscc1c2c....
11 6C9P - MTP C11 H14 N4 O4 S CSc1c2c(nc....
12 2PKN - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4PVV ic50 = 0.33 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
2 6C9V Ki = 120.2 nM ERS C20 H24 N6 O4 c1ccc(cc1)....
3 4O1G - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
4 2PKK - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
5 6C9S - ERP C24 H20 N4 O4 c1ccc(cc1)....
6 2PKM - ADN C10 H13 N5 O4 c1nc(c2c(n....
7 6C9Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
8 6C67 - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
9 6C9N - SGV C12 H15 N5 O5 c1c(c2c(nc....
10 6C9R - ERJ C14 H14 N4 O4 S c1cscc1c2c....
11 6C9P - MTP C11 H14 N4 O4 S CSc1c2c(nc....
12 2PKN - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PVV ic50 = 0.33 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
2 6C9V Ki = 120.2 nM ERS C20 H24 N6 O4 c1ccc(cc1)....
3 4O1G - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
4 2PKK - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
5 6C9S - ERP C24 H20 N4 O4 c1ccc(cc1)....
6 2PKM - ADN C10 H13 N5 O4 c1nc(c2c(n....
7 6C9Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
8 6C67 - 5ID C11 H13 I N4 O4 c1c(c2c(nc....
9 6C9N - SGV C12 H15 N5 O5 c1c(c2c(nc....
10 6C9R - ERJ C14 H14 N4 O4 S c1cscc1c2c....
11 6C9P - MTP C11 H14 N4 O4 S CSc1c2c(nc....
12 2PKN - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
13 3B1P - NOS C10 H12 N4 O5 c1nc2c(n1[....
14 3B1Q - NOS C10 H12 N4 O5 c1nc2c(n1[....
15 3B1R - AMP MG n/a n/a
16 3B1N - MZR C9 H13 N3 O6 c1nc(c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5N5; Similar ligands found: 336
No: Ligand ECFP6 Tc MDL keys Tc
1 5N5 1 1
2 XYA 0.811321 0.967742
3 RAB 0.811321 0.967742
4 ADN 0.811321 0.967742
5 5CD 0.767857 0.920635
6 A4D 0.767857 0.967742
7 EP4 0.728814 0.880597
8 M2T 0.716667 0.828571
9 DTA 0.716667 0.865672
10 MTA 0.704918 0.878788
11 3DH 0.68254 0.878788
12 DSH 0.666667 0.869565
13 ZAS 0.661538 0.867647
14 A 0.661538 0.816901
15 LMS 0.661538 0.716049
16 AMP 0.661538 0.816901
17 SRA 0.651515 0.773333
18 AMP MG 0.651515 0.828571
19 6RE 0.651515 0.857143
20 5AD 0.649123 0.854839
21 S4M 0.647059 0.789474
22 AOC 0.641791 0.878788
23 A3N 0.632353 0.953125
24 ABM 0.632353 0.794521
25 45A 0.632353 0.794521
26 J7C 0.632353 0.869565
27 A2D 0.632353 0.819444
28 GJV 0.623188 0.84507
29 NWW 0.622951 0.870968
30 A12 0.614286 0.786667
31 AP2 0.614286 0.786667
32 MAO 0.614286 0.75641
33 BA3 0.614286 0.819444
34 M33 0.611111 0.808219
35 7D7 0.610169 0.846154
36 Y3J 0.606557 0.828125
37 B4P 0.605634 0.819444
38 5AS 0.605634 0.714286
39 AP5 0.605634 0.819444
40 ADP 0.605634 0.819444
41 ADP BEF 0.597222 0.816901
42 A7D 0.597222 0.880597
43 AN2 0.597222 0.808219
44 ADP MG 0.597222 0.816901
45 AT4 0.597222 0.786667
46 SON 0.597222 0.763158
47 AU1 0.589041 0.797297
48 MHZ 0.589041 0.779221
49 CA0 0.589041 0.797297
50 ADX 0.589041 0.7375
51 A5D 0.586667 0.865672
52 ADP PO3 0.586667 0.816901
53 ATP MG 0.586667 0.816901
54 ATP 0.581081 0.819444
55 ACP 0.581081 0.797297
56 5X8 0.581081 0.865672
57 H1Q 0.581081 0.805556
58 SFG 0.581081 0.850746
59 HEJ 0.581081 0.819444
60 KG4 0.581081 0.797297
61 50T 0.581081 0.808219
62 G5A 0.578947 0.714286
63 3AM 0.573529 0.802817
64 AR6 0.573333 0.819444
65 PRX 0.573333 0.773333
66 APC 0.573333 0.786667
67 AQP 0.573333 0.819444
68 APR 0.573333 0.819444
69 5FA 0.573333 0.819444
70 A3G 0.571429 0.938462
71 SA8 0.565789 0.819444
72 APC MG 0.565789 0.794521
73 AD9 0.565789 0.797297
74 ADV 0.565789 0.786667
75 RBY 0.565789 0.786667
76 AGS 0.565789 0.776316
77 AAT 0.564103 0.84507
78 SAI 0.558442 0.828571
79 SAH 0.558442 0.84058
80 BEF ADP 0.558442 0.794521
81 A5A 0.556962 0.698795
82 SAM 0.551282 0.773333
83 ACQ 0.551282 0.797297
84 T99 0.551282 0.786667
85 ANP 0.551282 0.797297
86 GAP 0.551282 0.821918
87 TAT 0.551282 0.786667
88 NEC 0.549296 0.90625
89 3AD 0.546875 0.920635
90 EEM 0.544304 0.773333
91 8LE 0.544304 0.753247
92 V2G 0.544304 0.779221
93 5AL 0.544304 0.783784
94 HQG 0.54321 0.808219
95 K3E 0.539326 0.897059
96 ALF ADP 0.5375 0.753247
97 ANP MG 0.5375 0.783784
98 ATF 0.5375 0.786667
99 VO4 ADP 0.5375 0.773333
100 8X1 0.536585 0.689655
101 KY2 0.536585 0.821918
102 53H 0.536585 0.674419
103 2AM 0.536232 0.816901
104 NWQ 0.536232 0.84375
105 N5A 0.534247 0.892308
106 CC5 0.532258 0.904762
107 8LH 0.530864 0.786667
108 V47 0.530864 0.863636
109 S7M 0.530864 0.773333
110 6YZ 0.530864 0.797297
111 SRP 0.530864 0.786667
112 SSA 0.530864 0.714286
113 SMM 0.530864 0.74359
114 KL2 0.529412 0.763889
115 N5O 0.527778 0.893939
116 A3P 0.527027 0.791667
117 54H 0.52439 0.682353
118 52H 0.52439 0.674419
119 VMS 0.52439 0.682353
120 KYB 0.52381 0.821918
121 7D5 0.521739 0.756757
122 QQY 0.521127 0.743243
123 8LQ 0.518072 0.763158
124 A22 0.518072 0.808219
125 MAP 0.518072 0.776316
126 5CA 0.518072 0.714286
127 TSB 0.518072 0.710843
128 DAL AMP 0.518072 0.783784
129 QA7 0.518072 0.753247
130 OVE 0.513889 0.783784
131 A3S 0.513158 0.923077
132 QXP 0.511905 0.7625
133 25A 0.511905 0.794521
134 5SV 0.511905 0.734177
135 S8M 0.511905 0.805556
136 OZV 0.511905 0.819444
137 8QN 0.511905 0.783784
138 OOB 0.511905 0.783784
139 9ZA 0.511905 0.74359
140 9ZD 0.511905 0.74359
141 GEK 0.511905 0.805556
142 A6D 0.511628 0.763158
143 QQX 0.507042 0.733333
144 AMO 0.505882 0.786667
145 LSS 0.505882 0.659091
146 ADQ 0.505882 0.821918
147 0UM 0.505882 0.833333
148 4AD 0.505882 0.776316
149 DSZ 0.505882 0.694118
150 A3R 0.505882 0.813333
151 PAJ 0.505882 0.769231
152 NSS 0.505882 0.694118
153 A1R 0.505882 0.813333
154 KY8 0.505747 0.84507
155 LAD 0.505747 0.769231
156 KAA 0.505747 0.689655
157 SP1 0.5 0.746667
158 ACK 0.5 0.785714
159 K2H 0.5 0.882353
160 PTJ 0.5 0.734177
161 RP1 0.5 0.746667
162 00A 0.5 0.74359
163 62X 0.5 0.766234
164 DLL 0.5 0.783784
165 TXA 0.5 0.786667
166 3L1 0.5 0.878788
167 NVA LMS 0.5 0.651685
168 AHX 0.5 0.779221
169 JB6 0.5 0.74359
170 JNT 0.5 0.821918
171 A3T 0.5 0.9375
172 3D1 0.5 0.878788
173 KY5 0.494382 0.869565
174 LEU LMS 0.494253 0.666667
175 QXG 0.494253 0.753086
176 ADP BMA 0.494253 0.821918
177 K15 0.494253 0.786667
178 OAD 0.494253 0.797297
179 3UK 0.494253 0.773333
180 9X8 0.494253 0.776316
181 26A 0.492537 0.865672
182 2FA 0.492537 0.895522
183 K2K 0.488636 0.884058
184 B5V 0.488636 0.763158
185 PR8 0.488636 0.759494
186 GSU 0.488636 0.674419
187 R2V 0.488636 0.7625
188 WAQ 0.488636 0.74359
189 P5A 0.488636 0.681818
190 PAP 0.4875 0.805556
191 2BA 0.486842 0.788732
192 A2P 0.486842 0.777778
193 CMP 0.486842 0.8
194 5F1 0.485294 0.80597
195 KMQ 0.483516 0.786667
196 ATP A A A 0.483516 0.805556
197 ATP A 0.483516 0.805556
198 9K8 0.483146 0.651685
199 ME8 0.483146 0.707317
200 BIS 0.483146 0.766234
201 FYA 0.483146 0.783784
202 1ZZ 0.483146 0.707317
203 SXZ 0.483146 0.773333
204 3OD 0.483146 0.797297
205 NB8 0.483146 0.75641
206 7MD 0.478723 0.772152
207 B1U 0.478261 0.637363
208 XAH 0.478261 0.75
209 YSA 0.478261 0.674419
210 KB1 0.477778 0.808219
211 MYR AMP 0.477778 0.707317
212 25L 0.477778 0.808219
213 MTP 0.477612 0.826087
214 V3L 0.47561 0.794521
215 7D3 0.473684 0.76
216 K38 0.472527 0.910448
217 9SN 0.472527 0.734177
218 1DA 0.470588 0.967742
219 6MD 0.470588 0.921875
220 PPS 0.46988 0.716049
221 NOC 0.469697 0.873016
222 B5Y 0.467391 0.753247
223 B5M 0.467391 0.753247
224 FA5 0.467391 0.763158
225 8PZ 0.467391 0.694118
226 K3K 0.467391 0.882353
227 D3Y 0.465116 0.895522
228 AR6 AR6 0.463158 0.794521
229 2VA 0.4625 0.909091
230 K3H 0.462366 0.871429
231 KYE 0.462366 0.8
232 K2W 0.462366 0.859155
233 GTA 0.458333 0.728395
234 NX8 0.457831 0.857143
235 4UV 0.457447 0.753247
236 AMP DBH 0.457447 0.797297
237 NWZ 0.45679 0.842857
238 2A5 0.45679 0.773333
239 7C5 0.452632 0.794521
240 G3A 0.452632 0.75641
241 NVA 2AD 0.451219 0.857143
242 ATR 0.451219 0.791667
243 7D4 0.45 0.76
244 ARJ 0.449275 0.828125
245 5NB 0.449275 0.910448
246 AFH 0.447917 0.769231
247 ARG AMP 0.447917 0.740741
248 G5P 0.447917 0.75641
249 4UU 0.447917 0.753247
250 GA7 0.447917 0.810811
251 SO8 0.445783 0.895522
252 VRT 0.445783 0.869565
253 6V0 0.444444 0.779221
254 KH3 0.443299 0.8
255 TAD 0.443299 0.746835
256 KXW 0.443299 0.84507
257 4YB 0.443299 0.659091
258 DQV 0.443299 0.808219
259 N37 0.44 0.802817
260 ERJ 0.44 0.890625
261 3NZ 0.43956 0.857143
262 HZ2 0.438776 0.847222
263 LAQ 0.438776 0.707317
264 AHZ 0.438776 0.707317
265 A2R 0.436782 0.808219
266 NAD IBO 0.435644 0.794521
267 NAD TDB 0.435644 0.794521
268 YLC 0.435644 0.75
269 7MC 0.435644 0.753086
270 KOY 0.434343 0.828571
271 OZP 0.434343 0.819444
272 LPA AMP 0.434343 0.707317
273 48N 0.434343 0.75641
274 U4Y 0.434343 0.805556
275 YLP 0.434343 0.731707
276 101 0.434211 0.756757
277 KF5 0.432836 0.632353
278 NAX 0.43 0.7375
279 HY8 0.43 0.847222
280 TXD 0.43 0.789474
281 4UW 0.43 0.725
282 UP5 0.43 0.776316
283 NAI 0.43 0.766234
284 EU9 0.43 0.698795
285 DND 0.43 0.786667
286 PO4 PO4 A A A A PO4 0.428571 0.777778
287 AFX 0.428571 0.742857
288 IOT 0.427184 0.722892
289 CUU 0.426829 0.794521
290 AF3 ADP 3PG 0.425743 0.725
291 TYM 0.425743 0.763158
292 649 0.425743 0.644444
293 ALF ADP 3PG 0.425743 0.725
294 OMR 0.425743 0.719512
295 TXE 0.425743 0.789474
296 WSA 0.425743 0.682353
297 J4G 0.423913 0.753247
298 AP0 0.421569 0.75641
299 UPA 0.421569 0.789474
300 Q34 0.421569 0.776316
301 4TC 0.421569 0.75641
302 Q2M 0.421569 0.797297
303 L3W 0.421569 0.786667
304 YLB 0.421569 0.731707
305 F0P 0.421569 0.819444
306 8Q2 0.421569 0.670455
307 CNA 0.419048 0.786667
308 A4P 0.417476 0.73494
309 6CR 0.416667 0.882353
310 5J9 0.414894 0.773333
311 AV2 0.413793 0.746667
312 V1N 0.412371 0.794521
313 Q2P 0.411215 0.776316
314 NAD 0.411215 0.783784
315 DA 0.410256 0.733333
316 D5M 0.410256 0.733333
317 Q2V 0.409524 0.808219
318 139 0.409524 0.759494
319 T5A 0.409524 0.710843
320 YLA 0.409524 0.731707
321 ADJ 0.409524 0.740741
322 DZD 0.407407 0.769231
323 J1D 0.407407 0.642105
324 IVH 0.407407 0.810811
325 3AT 0.406977 0.794521
326 BS5 0.40566 0.693182
327 AYB 0.40566 0.722892
328 IMO 0.405063 0.753425
329 AS 0.405063 0.696203
330 0XU 0.404762 0.823529
331 AD3 0.402778 0.967742
332 LQJ 0.402062 0.794521
333 F2R 0.401869 0.753086
334 EO7 0.4 0.682353
335 GGZ 0.4 0.691358
336 6MZ 0.4 0.780822
Similar Ligands (3D)
Ligand no: 1; Ligand: 5N5; Similar ligands found: 304
No: Ligand Similarity coefficient
1 NOS 0.9939
2 FMC 0.9841
3 5FD 0.9839
4 MDR 0.9800
5 5ID 0.9772
6 IMH 0.9742
7 PRH 0.9737
8 UA2 0.9736
9 HPR 0.9716
10 DBM 0.9671
11 GMP 0.9670
12 TBN 0.9667
13 RPP 0.9628
14 9DI 0.9624
15 MZR 0.9624
16 8OX 0.9610
17 GNG 0.9605
18 FMB 0.9598
19 PUR 0.9552
20 IMG 0.9551
21 3BH 0.9543
22 MTI 0.9540
23 THM 0.9506
24 CFE 0.9500
25 FTU 0.9495
26 FM2 0.9488
27 EKH 0.9481
28 TAL 0.9481
29 CL9 0.9454
30 5UD 0.9453
31 URI 0.9449
32 MTH 0.9446
33 4UO 0.9435
34 5I5 0.9435
35 FM1 0.9434
36 CTN 0.9427
37 MTM 0.9403
38 MG7 0.9380
39 RFZ 0.9306
40 HO4 0.9277
41 2FD 0.9267
42 H7S 0.9236
43 MCF 0.9215
44 SCT 0.9195
45 Z8B 0.9191
46 28A 0.9182
47 DCF 0.9180
48 2TU 0.9180
49 TIA 0.9179
50 13A 0.9168
51 AHU 0.9150
52 TO1 0.9146
53 TMC 0.9129
54 5AE 0.9125
55 TIZ 0.9102
56 GPK 0.9095
57 DK4 0.9090
58 RVD 0.9089
59 7CI 0.9085
60 RBV 0.9079
61 XYP XYS 0.9062
62 Z57 0.9060
63 2QU 0.9059
64 DBS 0.9048
65 Z15 0.9039
66 8HG 0.9037
67 833 0.9036
68 GPQ 0.9029
69 THU 0.9025
70 XYP XDN 0.9009
71 TRP 0.9009
72 XYS XYP 0.8998
73 P2L 0.8996
74 XIF XYP 0.8994
75 CDY 0.8991
76 9UL 0.8988
77 GPU 0.8988
78 2GD 0.8986
79 NNR 0.8984
80 XTS 0.8983
81 XYP XYP 0.8982
82 C2M 0.8978
83 4OZ 0.8976
84 1ZC 0.8974
85 EAT 0.8970
86 NE1 0.8970
87 3RP 0.8968
88 IXG 0.8968
89 PE2 0.8964
90 NEO 0.8962
91 HBI 0.8961
92 XIL 0.8960
93 4GU 0.8957
94 4K2 0.8948
95 NQ7 0.8946
96 ACE TRP 0.8929
97 WCU 0.8926
98 XDN XYP 0.8923
99 JSX 0.8922
100 ZEB 0.8921
101 0GA 0.8918
102 ZYV 0.8917
103 92O 0.8913
104 A4V 0.8912
105 SGV 0.8911
106 H4B 0.8911
107 GA2 0.8903
108 H2B 0.8902
109 XYP AHR 0.8896
110 XDL XYP 0.8892
111 XYS XYS 0.8891
112 CTE 0.8886
113 FHI 0.8883
114 XYP XIF 0.8883
115 1KN 0.8880
116 X29 0.8872
117 Q9T 0.8871
118 EZN 0.8867
119 VCE 0.8866
120 W29 0.8861
121 LVY 0.8853
122 5JT 0.8853
123 SGP 0.8852
124 3CA 0.8850
125 AVX 0.8846
126 S1D 0.8843
127 CQW 0.8842
128 1SF 0.8840
129 6SW 0.8840
130 JF8 0.8838
131 FWD 0.8834
132 5V7 0.8829
133 ID8 0.8827
134 ISX 0.8826
135 7AP 0.8826
136 MPU 0.8822
137 BBY 0.8821
138 C0H 0.8821
139 9CE 0.8819
140 22L 0.8819
141 DNB 0.8818
142 TLF 0.8818
143 5E5 0.8813
144 0OK 0.8812
145 QME 0.8811
146 B5A 0.8807
147 092 0.8807
148 6J3 0.8805
149 AUV 0.8803
150 0SY 0.8801
151 VBC 0.8800
152 JMS 0.8799
153 TJM 0.8796
154 1Q4 0.8795
155 7VF 0.8794
156 AOJ 0.8793
157 RVC 0.8789
158 CJB 0.8789
159 XEV 0.8786
160 ZJB 0.8786
161 DKZ 0.8785
162 CWD 0.8785
163 NEU 0.8784
164 4AB 0.8783
165 EAJ 0.8783
166 K80 0.8781
167 7FZ 0.8781
168 NXB 0.8778
169 C0Y 0.8776
170 8DA 0.8772
171 5BX 0.8772
172 M5H 0.8771
173 DTE 0.8770
174 1FL 0.8766
175 7CH 0.8766
176 S0G 0.8766
177 3IP 0.8762
178 EXL 0.8760
179 EXG 0.8758
180 ZSP 0.8757
181 3D8 0.8755
182 X2M 0.8752
183 IMK 0.8750
184 DKX 0.8748
185 2JX 0.8744
186 CX5 0.8744
187 RVB 0.8744
188 4OG 0.8744
189 AZZ 0.8742
190 JMQ 0.8740
191 AJ4 0.8738
192 28B 0.8733
193 EF2 0.8731
194 C4E 0.8730
195 Q4G 0.8730
196 EXX 0.8729
197 6J9 0.8728
198 ELH 0.8727
199 LOX XYP 0.8721
200 16Z 0.8721
201 5P7 0.8720
202 TVZ 0.8718
203 F40 0.8715
204 AGV 0.8714
205 14Z 0.8711
206 6ZW 0.8711
207 3WN 0.8710
208 3WO 0.8710
209 IMP 0.8709
210 SY4 0.8707
211 U4J 0.8706
212 AGI 0.8706
213 ITW 0.8705
214 B2L 0.8702
215 Q2S 0.8700
216 5E4 0.8697
217 NIR 0.8697
218 78U 0.8694
219 96Z 0.8693
220 GFE 0.8693
221 IFM BGC 0.8691
222 BIO 0.8691
223 AV4 0.8690
224 A4G 0.8690
225 0QV 0.8684
226 5GP 0.8683
227 15Q 0.8683
228 Y70 0.8682
229 BHS 0.8681
230 HVE 0.8679
231 6TX 0.8678
232 9FH 0.8678
233 3AK 0.8676
234 DTR 0.8676
235 MBY 0.8672
236 0OO 0.8671
237 JA3 0.8666
238 IMQ 0.8666
239 0FR 0.8665
240 LL1 0.8665
241 BWD 0.8661
242 51Y 0.8659
243 363 0.8658
244 CUH 0.8658
245 DG 0.8657
246 G14 0.8655
247 DXK 0.8649
248 X48 0.8649
249 M01 0.8649
250 PIR 0.8644
251 H70 0.8644
252 42R 0.8643
253 DS8 0.8639
254 GLC BGC 0.8639
255 B21 0.8629
256 7EH 0.8626
257 26C 0.8626
258 2DL 0.8626
259 MXD 0.8624
260 BC3 0.8623
261 6EL 0.8623
262 MIL 0.8619
263 LU2 0.8618
264 CJZ 0.8618
265 AWE 0.8614
266 71V 0.8614
267 GLC 7LQ 0.8613
268 EV2 0.8613
269 A4N 0.8607
270 MUK 0.8606
271 TI7 0.8606
272 QKU 0.8606
273 H75 0.8603
274 X11 0.8601
275 PBQ 0.8600
276 OUA 0.8595
277 5NN 0.8594
278 6U5 0.8594
279 DIH 0.8590
280 SX3 0.8587
281 WVV 0.8584
282 38E 0.8583
283 3QI 0.8579
284 MFR 0.8577
285 NIY 0.8577
286 DGP 0.8575
287 4F0 0.8568
288 5SJ 0.8568
289 WOE 0.8567
290 17C 0.8566
291 64I 0.8565
292 KYN 0.8563
293 XMP 0.8562
294 VJJ 0.8560
295 68B 0.8560
296 MMA XYP 0.8558
297 JNW 0.8557
298 9FG 0.8549
299 G 0.8548
300 GAT 0.8548
301 3WJ 0.8546
302 OA1 0.8540
303 PQS 0.8527
304 6NZ 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C9V; Ligand: ERS; Similar sites found with APoc: 18
This union binding pocket(no: 1) in the query (biounit: 6c9v.bio1) has 72 residues
No: Leader PDB Ligand Sequence Similarity
1 2VAR AMP 6.70927
2 2VAR AMP 6.70927
3 2VAR AMP 6.70927
4 2VAR ANP 6.70927
5 2VAR ANP 6.70927
6 2VAR ANP 6.70927
7 6VWO ADP 8.33333
8 6ILS ATP 8.6262
9 6ILS ATP 8.6262
10 2HW1 FRU 8.72483
11 6A8A ATP 32.4074
12 6A8A ATP 32.4074
13 1V1A ADP 36.8932
14 4XDA ADP 39.1586
15 4XDA ADP 39.1586
16 2C49 ANP 43.0464
17 2C49 ADN 43.0464
18 2C49 ANP 43.0464
Pocket No.: 2; Query (leader) PDB : 6C9V; Ligand: ERS; Similar sites found with APoc: 18
This union binding pocket(no: 2) in the query (biounit: 6c9v.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
1 2VAR AMP 6.70927
2 2VAR AMP 6.70927
3 2VAR AMP 6.70927
4 2VAR ANP 6.70927
5 2VAR ANP 6.70927
6 2VAR ANP 6.70927
7 6VWO ADP 8.33333
8 6ILS ATP 8.6262
9 6ILS ATP 8.6262
10 2HW1 FRU 8.72483
11 6A8A ATP 32.4074
12 6A8A ATP 32.4074
13 1V1A ADP 36.8932
14 4XDA ADP 39.1586
15 4XDA ADP 39.1586
16 2C49 ANP 43.0464
17 2C49 ADN 43.0464
18 2C49 ANP 43.0464
APoc FAQ
Feedback