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Receptor
PDB id Resolution Class Description Source Keywords
5JDC 1.78 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NP-13 (HES TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXYDOREDUCTASE INHOXIDOREDUCTASE
Ref.: PROFILING OF FLAVONOL DERIVATIVES FOR THE DEVELOPME ANTITRYPANOSOMATIDIC DRUGS. J.MED.CHEM. V. 59 7598 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:304;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
6JP C:302;
D:302;
A:302;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 ~ 120 uM
302.279 C16 H14 O6 COc1c...
NAP A:301;
D:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
ACT A:303;
C:303;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JDC 1.78 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NP-13 (HES TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXYDOREDUCTASE INHOXIDOREDUCTASE
Ref.: PROFILING OF FLAVONOL DERIVATIVES FOR THE DEVELOPME ANTITRYPANOSOMATIDIC DRUGS. J.MED.CHEM. V. 59 7598 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5JDC ic50 ~ 120 uM 6JP C16 H14 O6 COc1ccc(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5JDC ic50 ~ 120 uM 6JP C16 H14 O6 COc1ccc(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5JDC ic50 ~ 120 uM 6JP C16 H14 O6 COc1ccc(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6JP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 6JP 1 1
2 CWE 0.609375 0.848485
3 NAR 0.609375 0.848485
4 SAK 0.479452 0.909091
Ligand no: 2; Ligand: NAP; Similar ligands found: 123
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 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found with APoc: 673
This union binding pocket(no: 1) in the query (biounit: 5jdc.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 1OGX EQU None
3 2WPB ZZI 1.04167
4 4BWL MN9 1.04167
5 3GU3 SAH 1.05634
6 1SL6 GAL NDG FUC 1.08696
7 1ZGA SAH 1.38889
8 5E8J SAH 1.38889
9 5E9W SAH 1.38889
10 1NYT NAP 1.47601
11 5D4V SAH 1.49254
12 2IXB A2G 1.73611
13 6A0S HSE 1.73611
14 6A0S NDP 1.73611
15 2IXB NAD 1.73611
16 2D7I UDP 1.73611
17 5AYV NAP 1.73611
18 5OC1 FAD 1.73611
19 3HAD NAD 1.73611
20 5O2N FLC 1.73611
21 1YJQ NAP 1.73611
22 4DSG FAD 1.73611
23 5TWB FAD 1.74419
24 2G5C NAD 1.77936
25 3B1F NAD 2.08333
26 1FUR MLT 2.08333
27 1HYH NAD 2.08333
28 2YVJ NAI 2.08333
29 6FLZ MMA 2.08333
30 3E1T FAD 2.08333
31 3WQQ IB3 2.08333
32 3WQQ NDP 2.08333
33 3I6I NDP 2.08333
34 5X68 FAD 2.08333
35 2O4C NAD 2.08333
36 1KYZ SAH 2.08333
37 2CDU ADP 2.08333
38 3CMC NAD 2.08333
39 4KP7 NAP 2.08333
40 4KP7 1UQ 2.08333
41 2CDU FAD 2.08333
42 1VKO NAD 2.08333
43 5JE8 NAD 2.08333
44 3NYC FAD 2.08333
45 3NYC IAR 2.08333
46 5YU3 PRO 2.08333
47 5YU3 NAD 2.08333
48 3WLE NAD 2.08333
49 3K7M FAD 2.08333
50 3A4T SFG 2.18978
51 5I39 FAD 2.20588
52 3VKX T3 2.29885
53 4KFU ACP 2.35849
54 2YY7 NAD 2.43056
55 4ZVV GN0 2.43056
56 4ZVV NAD 2.43056
57 1WVG APR 2.43056
58 1PJS NAD 2.43056
59 1V6A TRE 2.43056
60 1O6Z NAD 2.43056
61 9LDT NAD 2.43056
62 9LDB NAD 2.43056
63 1U1I NAD 2.43056
64 1E3I CXF 2.43056
65 6CEP NAD 2.43056
66 6CEP OXM 2.43056
67 4RF7 ARG 2.43056
68 2ZJ1 ARJ 2.43056
69 2ZJ1 NAD 2.43056
70 2Q7V FAD 2.43056
71 1GPE FAD 2.43056
72 3RNM FAD 2.43056
73 5EZ7 FAD 2.43056
74 4OOE FOM 2.43056
75 1HDG NAD 2.43056
76 3OZ2 FAD 2.43056
77 1PN0 FAD 2.43056
78 4OOE NDP 2.43056
79 1PN0 IPH 2.43056
80 1KEV NDP 2.43056
81 6F97 FAD 2.43056
82 1GQ2 NAP 2.43056
83 4DPL NAP 2.43056
84 5O9F 9ON 2.43056
85 5O9F NAD 2.43056
86 4AVV GHE 2.45098
87 4AVV CD 2.45098
88 2F1K NAP 2.50896
89 5Z21 NAI 2.51397
90 4D79 ATP 2.53623
91 1XXA ARG 2.5641
92 3CBG SAH 2.58621
93 2EV9 SKM 2.6616
94 2EV9 NAP 2.6616
95 3W9F I3P 2.69231
96 3MB5 SAM 2.7451
97 1KEW NAD 2.77778
98 1KEW TYD 2.77778
99 1F8G NAD 2.77778
100 1UWK NAD 2.77778
101 1UWK URO 2.77778
102 2DFV NAD 2.77778
103 4OPC FDA 2.77778
104 4OPC PGT 2.77778
105 3L9W AMP 2.77778
106 5H81 NAP 2.77778
107 1UP7 NAD 2.77778
108 1X87 NAD 2.77778
109 1OMO NAD 2.77778
110 1LLU NAD 2.77778
111 3L9W GSH 2.77778
112 1H2B NAJ 2.77778
113 6FDF SAH 2.77778
114 4TQG NDP 2.78638
115 5LQ8 GB 2.83688
116 4C2W ANP 2.86738
117 2DC1 NAD 2.9661
118 5N5D SAM 3.09735
119 3C1O NAP 3.11526
120 4GLL NAD 3.125
121 5MLR GRQ 3.125
122 5MLR NAP 3.125
123 3A4V PYR 3.125
124 3A4V NAD 3.125
125 2VHW NAI 3.125
126 4LHD GLY 3.125
127 2C7G FAD 3.125
128 2C7G ODP 3.125
129 1H9A NAP 3.125
130 1MV8 NAD 3.125
131 2JHP SAH 3.125
132 2IF8 ADP 3.125
133 4DFU QUE 3.125
134 1BXG NAD 3.125
135 1J5P NAD 3.16206
136 1I2B USQ 3.21782
137 1I2B UPG 3.21782
138 1I2B NAD 3.21782
139 4NYT PC 3.22581
140 2VT3 ATP 3.25581
141 1SW1 PBE 3.27273
142 4CNK FAD 3.32481
143 5BUK FAD 3.47222
144 5BVA FAD 3.47222
145 1E1M FAD 3.47222
146 1E1M NAP 3.47222
147 4RQU NAD 3.47222
148 1PL6 NAD 3.47222
149 2P41 SAH 3.47222
150 3H5N ATP 3.47222
151 1CER NAD 3.47222
152 3O9Z AKG 3.47222
153 3O9Z NAD 3.47222
154 1PL6 572 3.47222
155 1REO FAD 3.47222
156 3GGF GVD 3.47222
157 1YY5 FAD 3.47222
158 1RSG FAD 3.47222
159 2E5V FAD 3.47222
160 4Z4P SAH 3.61446
161 3EVG SAH 3.63636
162 1R6D NAD 3.81944
163 1BXK NAD 3.81944
164 1R6D DAU 3.81944
165 5YEC ATP 3.81944
166 1LTH NAD 3.81944
167 5NUF NAD 3.81944
168 6G7N DGL 3.81944
169 5NUE NAD 3.81944
170 5LD5 NAD 3.81944
171 4AP3 NAP 3.81944
172 4AP3 FAD 3.81944
173 1GR0 NAD 3.81944
174 1NVM NAD 3.81944
175 5X9D 80F 3.81944
176 1V59 NAD 3.81944
177 1V59 FAD 3.81944
178 5J5Z FAD 3.81944
179 2HQM FAD 3.81944
180 5BRT FAD 3.81944
181 5BRT CH9 3.81944
182 5KZD RCJ 3.81944
183 4MIG G3F 3.81944
184 1GZ4 ATP 3.81944
185 1A99 PUT 3.81944
186 5TS5 FAD 3.81944
187 4UP3 NDP 3.81944
188 1E6E FAD 3.90625
189 6GAS FAD 3.92749
190 1R18 SAH 3.96476
191 1P77 ATR 4.04412
192 5CUQ NSC 4.11985
193 5ZEC NAP 4.16667
194 2FR1 NDP 4.16667
195 5MSO NAP 4.16667
196 1N7G NDP 4.16667
197 1N7G GDR 4.16667
198 3VPH NAD 4.16667
199 3VPH OXM 4.16667
200 6BII NAP 4.16667
201 5KKA 6V0 4.16667
202 3KB6 NAD 4.16667
203 5Z20 NAI 4.16667
204 2B5W NAP 4.16667
205 3SQP FAD 4.16667
206 3FPZ AHZ 4.16667
207 1SC6 NAD 4.16667
208 1GET NAP 4.16667
209 5A04 NDP 4.16667
210 5A04 BGC 4.16667
211 4M52 FAD 4.16667
212 2A8X FAD 4.16667
213 2FWP ICR 4.37158
214 4PIV NDP 4.39394
215 5A1T NAI 4.51389
216 3ABI NAD 4.51389
217 5A1T OXM 4.51389
218 2GZ3 NAP 4.51389
219 2C5A GDC 4.51389
220 2C5A NAD 4.51389
221 5ZI2 NAD 4.51389
222 3TTM PUT 4.51389
223 5ZI2 ADP 4.51389
224 1SAY PYR 4.51389
225 6AIN FAD 4.51389
226 4L8V NAP 4.51389
227 3NKS FAD 4.51389
228 2BRY FAD 4.51389
229 1LDM NAD 4.51389
230 3X01 AMP 4.51389
231 4RSL FAD 4.51389
232 1WDK NAD 4.51389
233 1MO9 FAD 4.51389
234 5X20 NAD 4.51389
235 1MO9 KPC 4.51389
236 3O7W SAM 4.51389
237 4TXI FAD 4.51389
238 1JNR FAD 4.66667
239 5GVR LMR 4.70085
240 4PVD NDP 4.86111
241 3V1Y NAD 4.86111
242 3LZW FAD 4.86111
243 3LZW NAP 4.86111
244 1SOW NAD 4.86111
245 3NJ4 AFX 4.86111
246 3NJ4 NAD 4.86111
247 1HKU NAD 4.86111
248 1J0X NAD 4.86111
249 1MUU NAD 4.86111
250 3TTN SPD 4.86111
251 3RFV NAI 4.86891
252 3RFV 15L 4.86891
253 1H82 GZZ 4.87288
254 1H82 FAD 4.87288
255 3QX9 ATP 5.07246
256 2JHF NAD 5.08021
257 1U8X NAD 5.08475
258 5T85 44G 5.11628
259 5K4W THR 5.20833
260 5K4W NAI 5.20833
261 1UXG NAD 5.20833
262 1UXG FUM 5.20833
263 1GUZ NAD 5.20833
264 1GV0 NAD 5.20833
265 5AOV NAP 5.20833
266 3HQ9 OXL 5.20833
267 2B4R NAD 5.20833
268 5JJR SAH 5.20833
269 1YQZ FAD 5.20833
270 4BG4 ARG 5.20833
271 2B4R AES 5.20833
272 3LAD FAD 5.20833
273 5JCA FAD 5.20833
274 5JCA NDP 5.20833
275 5IN4 6CK 5.21978
276 5IN4 GDP 5.21978
277 5IN4 NAP 5.21978
278 2YG3 FAD 5.29801
279 1TE2 PGA 5.30973
280 5L95 AMP 5.37634
281 2DBZ NAP 5.38922
282 3WV8 ATP 5.50459
283 3KO8 NAD 5.55556
284 1DKU AP2 5.55556
285 1UDB NAD 5.55556
286 1UDB UFG 5.55556
287 5KOX RFP 5.55556
288 5KOX FAD 5.55556
289 2QA1 FAD 5.55556
290 1BW9 NAD 5.55556
291 5WGR FAD 5.55556
292 1C1X NAD 5.55556
293 2IVD FAD 5.55556
294 1L7E NAI 5.55556
295 3G5S FAD 5.55556
296 5JAQ NAI 5.55556
297 5U8U FAD 5.55556
298 2I3G NAP 5.55556
299 1X7D ORN 5.55556
300 1X7D NAD 5.55556
301 2IID FAD 5.55556
302 2IID PHE 5.55556
303 5M90 JIF 5.55556
304 6D6Y SAH 5.55556
305 4W6Z 8ID 5.55556
306 3WGT QSC 5.55556
307 3WGT FAD 5.55556
308 1LUA NAP 5.57491
309 1RM4 NDP 5.63798
310 1A5Z NAD 5.64263
311 4CJX NAP 5.64263
312 4KOA NDP 5.70571
313 1LSS NAD 5.71429
314 2BKA NDP 5.78512
315 5V6F MAN BMA MAN 5.7971
316 4XQC 13D 5.89474
317 4XQC NAD 5.89474
318 4HXY NDP 5.90278
319 1RKX NAD 5.90278
320 2C29 NAP 5.90278
321 2C29 DQH 5.90278
322 2CVQ NDP 5.90278
323 1WP4 NDP 5.90278
324 1YKJ FAD 5.90278
325 1YKJ PHB 5.90278
326 4JDR FAD 5.90278
327 3H9E NAD 5.90278
328 2QRK AMP 5.90278
329 1RM0 D6P 5.90278
330 1RM0 NAI 5.90278
331 2RGJ FAD 5.90278
332 1V8B NAD 5.90278
333 4YMH SAH 5.90278
334 2CVZ NDP 5.90278
335 2CDC XYS 5.90278
336 2CDC XYP 5.90278
337 2CDC NAP 5.90278
338 3G2O SAM 6.02007
339 3FSY SCA 6.0241
340 2WA2 SAM 6.15942
341 1SB8 UD2 6.25
342 1SB8 NAD 6.25
343 3LU1 NAD 6.25
344 1X14 NAD 6.25
345 2DKH FAD 6.25
346 3OND ADN 6.25
347 3OND NAD 6.25
348 2DKH 3HB 6.25
349 5HSA FAS 6.25
350 1Q0H NDP 6.25
351 1Q0H FOM 6.25
352 5G3U FDA 6.25
353 2NU8 COA 6.25
354 5G3U ITW 6.25
355 1PZG A3D 6.25
356 4D04 FAD 6.25
357 4D04 NAP 6.25
358 5N0J FAD 6.25
359 3OJO NAD 6.25
360 4IV9 FAD 6.25
361 1D4D FAD 6.25
362 1ZQ9 SAM 6.31579
363 5CAE COA 6.38978
364 5CAE SIN 6.38978
365 3JWH SAH 6.45161
366 4G5H NAP 6.59722
367 4G5H UD7 6.59722
368 1OC2 TDX 6.59722
369 1OC2 NAD 6.59722
370 3AB1 FAD 6.59722
371 1E5Q NDP 6.59722
372 1EZ4 NAD 6.59722
373 1DJN ADP 6.59722
374 1GTE FAD 6.59722
375 4KRG SAH 6.59722
376 1JQ3 AAT 6.59722
377 4RDH AMP 6.59722
378 2AJH MET 6.63265
379 5T9F TYR 6.64207
380 5T9F NAP 6.64207
381 5T9E NAP 6.64207
382 3HVJ 705 6.78733
383 1KYQ NAD 6.93431
384 4ZRN NAD 6.94444
385 4ZRN UPG 6.94444
386 1RPN NDP 6.94444
387 1T26 GBD 6.94444
388 1T26 NAI 6.94444
389 2A92 NAI 6.94444
390 5MIT FAD 6.94444
391 5MIT NAP 6.94444
392 5ERG SAM 6.94444
393 5M67 NAD 6.94444
394 5M67 ADE 6.94444
395 5M67 3D1 6.94444
396 3TWO NDP 6.94444
397 1U3U BNF 6.94444
398 1U3U NAD 6.94444
399 2FZW NAD 6.94444
400 2DT5 NAD 7.109
401 1LDN NAD 7.29167
402 5XNC MTA 7.29167
403 1LDN OXM 7.29167
404 4MOP 2H5 7.29167
405 5YB7 ORN 7.29167
406 5YB7 FAD 7.29167
407 5KVS NAP 7.29167
408 4JNA FAD 7.29167
409 2JB2 FAD 7.29167
410 2JB2 PHE 7.29167
411 1KJ8 GAR 7.29167
412 3S5W FAD 7.29167
413 4J4H NAI 7.33591
414 4J4H 1J1 7.33591
415 4JK3 NAD 7.33591
416 1OMZ UD2 7.50853
417 1TZD ADP 7.63636
418 4J1Q NDP 7.63889
419 4EUE NAI 7.63889
420 1EBF NAD 7.63889
421 5UR0 NAD 7.63889
422 5TEF GTG 7.63889
423 5N2I NAP 7.63889
424 2FHE GSH 7.87037
425 4NEC SAH 7.95455
426 5XWV NDP 7.98611
427 4U7W NDP 7.98611
428 5XWV 8H6 7.98611
429 6DNT NAD 7.98611
430 5DF1 58X 7.98611
431 5DF1 NAP 7.98611
432 1D7O TCL 7.98611
433 1D7O NAD 7.98611
434 3BAZ NAP 7.98611
435 5MZI FAD 7.98611
436 5MZI FYK 7.98611
437 5Y77 FAD 7.98611
438 5KMS NAD 7.98611
439 3GCZ SAM 8.15603
440 2D2I NAP 8.1579
441 4XUC 43G 8.25688
442 4XUC SAM 8.25688
443 3KLJ FAD 8.31169
444 5BJX NAD 8.33333
445 5BJX UDP 8.33333
446 1Z45 NAD 8.33333
447 1GY8 NAD 8.33333
448 1EQ2 NAP 8.33333
449 1CF2 NAP 8.33333
450 4NTC FAD 8.33333
451 1FP1 SAH 8.60215
452 1DCP HBI 8.65385
453 6BWL NAD 8.68056
454 1V35 NAI 8.68056
455 1RJW ETF 8.68056
456 2PV7 NAD 8.68056
457 2Q0L NAP 8.68056
458 1RP0 AHZ 8.68056
459 1EK6 UPG 9.02778
460 1EK6 NAI 9.02778
461 2UYQ SAM 9.02778
462 3OA2 NAD 9.02778
463 5JY6 NAD 9.02778
464 3B1J NAD 9.14454
465 3B20 NAD 9.14454
466 5N6C NAD 9.375
467 5MDH NAD 9.375
468 4GKV NAD 9.375
469 4MDH NAD 9.375
470 5TOW ADN 9.375
471 5TOW NAI 9.375
472 3H8V ATP 9.375
473 1VM6 NAD 9.64912
474 2GN4 UD1 9.72222
475 2GN4 NDP 9.72222
476 3CIF NAD 9.72222
477 6GAR FAD 9.72222
478 3CIF G3H 9.72222
479 2GCG NDP 9.72222
480 3ORF NAD 9.96016
481 1ORR NAD 10.0694
482 1TI7 NAP 10.0694
483 2VUT NAD 10.0694
484 5ZZ6 NAD 10.0962
485 5ZZ6 ADP 10.0962
486 3AD8 NAD 10.3448
487 5J32 IPM 10.4167
488 3EJ0 11X 10.7143
489 6EL3 NAP 10.7639
490 4YSX FAD 10.8974
491 2Q1S NAI 11.1111
492 3GFB NAD 11.1111
493 5UAV TFB 11.1111
494 5UAV NDP 11.1111
495 2R4J 13P 11.1111
496 2R4J FAD 11.1111
497 4M1U A2G MBG 11.4286
498 5Y1G NAD 11.4583
499 5Y1G AKB 11.4583
500 2IZ1 ATR 11.4583
501 6AA8 NAD 11.4583
502 5TUF TDC 11.4583
503 5TUF FAD 11.4583
504 1Y1P NMN AMP PO4 11.8056
505 2PZM NAD 11.8056
506 2PZM UDP 11.8056
507 3A06 NDP 11.8056
508 3A06 FOM 11.8056
509 1GAD NAD 11.8056
510 1V47 ADX 11.8056
511 2EXX NAP 12.1528
512 3AYI FAD 12.1528
513 3AYI HCI 12.1528
514 5ODQ FAD 12.1528
515 1C3V NDP 12.2449
516 2Q1W NAD 12.5
517 2GSD NAD 12.5
518 1HYE NAP 12.5
519 1NM5 NAD 12.8079
520 4Z0H NAD 12.8472
521 3R75 PYR 12.8472
522 3LKZ SFG 12.8472
523 4EIP FAD 12.8472
524 2QV7 ADP 12.8472
525 2Y69 CHD 12.8571
526 2X6T NAP 13.1944
527 2HK9 ATR 13.1944
528 5DN9 NAD 13.1944
529 2HK9 NAP 13.1944
530 1E7S NAP 13.5417
531 2Y6Q I7T 13.5417
532 2NAD NAD 13.5417
533 1DLJ NAI 13.5417
534 1DLJ UGA 13.5417
535 2Y6Q FAD 13.5417
536 1WMA AB3 13.8889
537 1WMA NDP 13.8889
538 4D3F NAP 13.8889
539 1DSS NAD 13.8889
540 2HMT NAI 13.8889
541 2VYN NAD 13.8889
542 4XYB NDP 14.2361
543 1HDR NAD 14.3443
544 3O26 NDP 14.9306
545 2OOR NAD 14.9425
546 3CH6 311 15.035
547 3CH6 NAP 15.035
548 4K26 NDP 15.2174
549 4K26 SFF 15.2174
550 5L53 NAP 15.2778
551 5L4S NAP 15.2778
552 5L4S 6KX 15.2778
553 5WP5 SAH 15.2778
554 1FMB HYB 15.3846
555 3QV1 NAD 15.8537
556 4O1M NAD 17.0139
557 2F5Z FAD 17.1875
558 1GZ6 NAI 17.7083
559 2JJQ SAH 18.0556
560 5TCI MLI 18.4028
561 4J36 FAD 18.75
562 4J36 1HR 18.75
563 2VTD LKM 19.0972
564 5OOH 9ZZ 19.4175
565 5OOH NAP 19.4175
566 3GGO NAI 19.4444
567 3GGO ENO 19.4444
568 1FK8 NAD 19.4553
569 3KIF GDL 20.7547
570 2DKN NAI 20.7843
571 5I7S NAD 21.3768
572 5I7S E9P 21.3768
573 1XSE NDP 21.6949
574 5EES NAP 21.8623
575 2Q46 NAP 25.6917
576 3HB5 NAP 26.7361
577 1A27 NAP 26.7361
578 1N5D NDP 27.7778
579 4Q9N NAI 28.1879
580 5TC4 NAD 28.4722
581 1ZBQ NAD 29.5139
582 4J7U YTZ 29.8611
583 4J7U NAP 29.8611
584 3RJ5 NAD 31.4961
585 2BD0 NAP 31.9672
586 1OAA OAA 32.0463
587 4URX HXY 33.5135
588 2GDZ NAD 35.9551
589 1Z6Z NAP 36.5248
590 1W8D NAP 37.7483
591 1W73 NAP 37.7483
592 4FC7 COA 38.6282
593 4FC7 NAP 38.6282
594 4D42 NAP 39.0071
595 4D42 W0I 39.0071
596 1W6U NAP 39.0728
597 2PD4 NAD 39.6364
598 2PD4 DCN 39.6364
599 3ZV6 NAD 39.8577
600 3ZV6 4HB 39.8577
601 3V1U NAD 39.9306
602 3OIG NAD 40.2256
603 5EJ2 NAD 40.625
604 6F9Q NAD 41.5441
605 1NNU NAD 41.6667
606 1NNU TCT 41.6667
607 3WXB NDP 41.9355
608 1U7T TDT 42.1456
609 1E3W NAD 42.1456
610 1U7T NAD 42.1456
611 1E6W NAD 42.6923
612 5Z2L NDP 42.8571
613 1QG6 NAD 42.9119
614 1QG6 TCL 42.9119
615 3RKR NAP 43.1298
616 5CG1 NAD BBN 43.4028
617 4OHU 2TK 43.4028
618 4OHU NAD 43.4028
619 1NFQ NAI 43.4615
620 2Q2V NAD 43.5294
621 2WYV NAD 43.6782
622 1HDC CBO 43.7008
623 3OJF NDP 43.9689
624 3OJF IMJ 43.9689
625 1YXM ADE 44.0972
626 1UZN NAP 44.1296
627 1G0N NDP 44.1696
628 1G0N PHH 44.1696
629 1X1T NAD 44.2308
630 3ICC NAP 44.3137
631 3VZS NAP 44.358
632 3VZS CAA 44.358
633 3QWI CUE 44.4444
634 3QWI NAP 44.4444
635 5OVK NDP 44.5312
636 5OVL NAP 44.7917
637 5OJI NAP 45
638 5OJI ISN 45
639 1AE1 NAP 45.0549
640 5O42 NAD 45.2555
641 5O42 BGC 45.2555
642 5O42 9JW 45.2555
643 5B4T NAD 45.3846
644 5B4T 3HR 45.3846
645 2ZAT NAP 45.3846
646 4ZA2 NAD 45.4545
647 2DTX BMA 45.8333
648 2RH4 EMO 45.8484
649 6CI9 NAP 45.9459
650 3AFN NAP 46.124
651 1ZEM NAD 46.1832
652 2CFC NAD 46.4
653 3NUG NAD 46.5587
654 1VL8 NAP 46.8165
655 3O03 NAP 46.875
656 4URF NAD 47.1774
657 3AY6 NAI 47.2119
658 3AY6 BGC 47.2119
659 1O5I NAD 47.3896
660 1ZK4 NAP 47.4104
661 1ZK4 AC0 47.4104
662 1H5Q NAP 47.5472
663 2WSB NAD 47.6378
664 2AE2 NAP 47.6923
665 2AE2 PTO 47.6923
666 1XKQ NDP 47.8571
667 2B4Q NAP 48.1884
668 1PR9 NAP 48.3607
669 3D3W NAP 48.3607
670 4QED NAP 48.7903
671 3OID NDP 48.8372
672 4NBT NAD 49.1667
673 1GEE NAD 49.4253
Pocket No.: 2; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found with APoc: 36
This union binding pocket(no: 2) in the query (biounit: 5jdc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6F5W KG1 0.694444
2 4TQG NDP 2.78638
3 1JG3 ADN 2.97872
4 6BQC LOP 3.125
5 5LW0 AR6 3.4632
6 3LJU IP9 3.47222
7 4J5R A1R 4.10959
8 4PIV 2W4 4.39394
9 3RFV 15L 4.86891
10 1QX4 FAD 5.83942
11 2ZXI FAD 6.94444
12 5DUS APR 7.7381
13 5XWV NDP 7.98611
14 1OYB HBA 8
15 4K26 SFF 15.2174
16 1XSE NDP 21.6949
17 3HB5 NAP 26.7361
18 3HB5 E2B 26.7361
19 3ZV6 4HB 39.8577
20 1U7T TDT 42.1456
21 1G0N PHH 44.1696
22 1G0N NDP 44.1696
23 5B4T NAD 45.3846
24 5B4T 3HR 45.3846
25 2DTX BMA 45.8333
26 2RH4 EMO 45.8484
27 6CI9 F3V 45.9459
28 6CI9 NAP 45.9459
29 3AY6 BGC 47.2119
30 3AY6 NAI 47.2119
31 1ZK4 NAP 47.4104
32 1ZK4 AC0 47.4104
33 2WSB NAD 47.6378
34 2AE2 PTO 47.6923
35 2AE2 NAP 47.6923
36 1GEE NAD 49.4253
Pocket No.: 3; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 5jdc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4I3V NAD 2.08333
2 9LDT NAD 2.43056
3 9LDB NAD 2.43056
4 6CEP NAD 2.43056
5 5FJN FAD 3.47222
6 5FJN BE2 3.47222
7 5ABF XRJ 3.47222
8 3VPH NAD 4.16667
9 2IVD FAD 5.55556
10 5GZZ GSH 9.02778
Pocket No.: 4; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found with APoc: 63
This union binding pocket(no: 4) in the query (biounit: 5jdc.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2XVM SAH 1.00503
2 4DSG UDP 1.73611
3 3KO0 TFP 1.9802
4 2YVF NAD 2.08333
5 2YVF FAD 2.08333
6 6F3M NAD 2.08333
7 2GMH FAD 2.43056
8 5EIN NAP 2.43056
9 1PS9 FAD 2.43056
10 2VVM FAD 2.43056
11 5MBX FAD 2.43056
12 5MBX SP5 2.43056
13 2VVL FAD 2.43056
14 5ZYN FAD 2.76008
15 5NA1 FAD 2.77778
16 5EOW FAD 3.125
17 3L4S NAD 3.125
18 3L4S 3PG 3.125
19 5FJN BE2 3.47222
20 5FJN FAD 3.47222
21 5UAO FAD 3.47222
22 1J49 NAD 3.6036
23 3UCL NAP 3.81944
24 5JCM ISD 3.81944
25 5JCM FAD 3.81944
26 5JCM NAD 3.81944
27 3UCL FAD 3.81944
28 3UCL CYH 3.81944
29 4ZCC FAD 3.81944
30 4ZCC NAI 3.81944
31 1TDF NAP 3.81944
32 2PT9 2MH 3.81944
33 2I7C AAT 3.88693
34 1GET FAD 4.16667
35 3QVP FAD 4.16667
36 1KOL NAD 4.51389
37 4JLS 3ZE 4.60526
38 1QO8 FAD 4.86111
39 1ZK7 FAD 4.86111
40 3X0V FAD 4.86111
41 1RYI GOA 5.55556
42 1RYI FAD 5.55556
43 6FP4 E1T 5.55556
44 2XVE FAD 5.90278
45 3IHG FAD 6.59722
46 2ZXI FAD 6.94444
47 1Q9I FAD 6.94444
48 1Q9I TEO 6.94444
49 4BJZ P3A 8.68056
50 4BJZ FAD 8.68056
51 1D1T NAD 8.68056
52 2Q0L FAD 8.68056
53 4REP FAD 9.02778
54 3P13 RIP 9.72222
55 2BMB PMM 9.72222
56 4EMI NAD 9.72222
57 2AQJ TRP 10.7639
58 2AQJ FAD 10.7639
59 5NC1 NAG 12.2363
60 5O4J PJL 14.9635
61 5O4J 9KH 14.9635
62 5O4J SAH 14.9635
63 4UYF 73B 20.7792
Pocket No.: 5; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 5jdc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4G6I RS3 5.20833
2 5YJF 8WO 8.09859
3 5YJF SAH 8.09859
4 3VZS CAA 44.358
Pocket No.: 6; Query (leader) PDB : 5JDC; Ligand: 6JP; Similar sites found with APoc: 44
This union binding pocket(no: 6) in the query (biounit: 5jdc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5SYN 71T 3.4632
2 5ZEC NAP 4.16667
3 1ZPD DPX 4.51389
4 3KO8 NAD 5.55556
5 3C8Z 5CA 5.55556
6 2C29 NAP 5.90278
7 2C29 DQH 5.90278
8 4OOP DUP 6.0241
9 1SB8 NAD 6.25
10 2Y7G AAE 7.80142
11 5XWV 8H6 7.98611
12 2GN4 UD1 9.72222
13 3ORF NAD 9.96016
14 2Q1W NAD 12.5
15 3CH6 NAP 15.035
16 3CH6 311 15.035
17 4K26 NDP 15.2174
18 4J7U YTZ 29.8611
19 4J7U NAP 29.8611
20 3RJ5 NAD 31.4961
21 4FC7 COA 38.6282
22 4FC7 NAP 38.6282
23 3ZV6 NAD 39.8577
24 1U7T NAD 42.1456
25 1E6W NAD 42.6923
26 5Z2L NDP 42.8571
27 1NFQ NAI 43.4615
28 2Q2V NAD 43.5294
29 1HDC CBO 43.7008
30 1X1T NAD 44.2308
31 3VZS NAP 44.358
32 3QWI CUE 44.4444
33 3QWI NAP 44.4444
34 5OJI ISN 45
35 5OJI NAP 45
36 1AE1 NAP 45.0549
37 5O42 BGC 45.2555
38 5O42 9JW 45.2555
39 5O42 NAD 45.2555
40 2ZAT NAP 45.3846
41 3AFN NAP 46.124
42 3NUG NAD 46.5587
43 1XKQ NDP 47.8571
44 4NBT NAD 49.1667
Pocket No.: 7; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found with APoc: 20
This union binding pocket(no: 7) in the query (biounit: 5jdc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3VSV XYP 2.08333
2 5MPT SAH 3.125
3 3WBF API 3.47222
4 3DUW SAH 4.03587
5 6AR9 3L4 4.04412
6 5DNK SAH 4.51389
7 1EJ0 SAM 5
8 1LVL NAD 5.24017
9 1GPJ CIT 5.90278
10 4MP8 NAD 5.90278
11 4MP8 MLI 5.90278
12 1O94 ADP 6.59722
13 1L7N AF3 6.63507
14 1I36 NAP 6.81818
15 1H6C SIN 9.72222
16 1RYD NDP 9.72222
17 5X2N ALA 10.1382
18 1F4X MGS 10.1852
19 3UN3 G16 12.1528
20 2FKA BEF 17.8295
Pocket No.: 8; Query (leader) PDB : 5JDC; Ligand: NAP; Similar sites found with APoc: 7
This union binding pocket(no: 8) in the query (biounit: 5jdc.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4BHL ARG 3.125
2 5YAK FMN 3.47222
3 3E3U NVC 3.5533
4 1WLJ U5P 4.7619
5 4WNP 3RJ 5.92335
6 1Z6K OAA 7.29167
7 4CJN QNZ 9.02778
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