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Receptor
PDB id Resolution Class Description Source Keywords
5JCJ 1.76 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NMT-H037 ( 7) 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
6JM D:302;
B:302;
A:303;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
286.236 C15 H10 O6 c1cc(...
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 C:302;
A:302;
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
5JCJ 1.76 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTR1 IN COMPLEX WITH INHIBITOR NMT-H037 ( 7) 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 5JCJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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 5JCJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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 5JCJ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6JM; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 6JM 1 1
2 6JO 0.660714 0.966667
3 FSE 0.625 1
4 QUE 0.516129 0.967742
5 MYU 0.46875 0.967742
6 FL8 0.411765 0.777778
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 : 5JCJ; Ligand: NAP; Similar sites found with APoc: 684
This union binding pocket(no: 1) in the query (biounit: 5jcj.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 5TWB FAD 1.04167
6 3GU3 SAH 1.05634
7 1SL6 GAL NDG FUC 1.08696
8 4XUC 43G 1.37615
9 4XUC SAM 1.37615
10 2IXB A2G 1.38889
11 1ZGA SAH 1.38889
12 2IXB NAD 1.38889
13 5E8J SAH 1.38889
14 5E9W SAH 1.38889
15 1NYT NAP 1.47601
16 5D4V SAH 1.49254
17 5ULP KB1 1.49254
18 6A0S NDP 1.73611
19 6A0S HSE 1.73611
20 5AYV NAP 1.73611
21 5OC1 FAD 1.73611
22 2D7I UDP 1.73611
23 4DSG UDP 1.73611
24 4DSG FAD 1.73611
25 3HAD NAD 1.73611
26 2G5C NAD 1.77936
27 3KO0 TFP 1.9802
28 1HYH NAD 2.08333
29 6FLZ MMA 2.08333
30 3B1F NAD 2.08333
31 1FUR MLT 2.08333
32 2YVJ NAI 2.08333
33 1KYZ SAH 2.08333
34 3WQQ NDP 2.08333
35 3WQQ IB3 2.08333
36 3I6I NDP 2.08333
37 2O4C NAD 2.08333
38 2CDU ADP 2.08333
39 3E1T FAD 2.08333
40 3CMC NAD 2.08333
41 2CDU FAD 2.08333
42 1VKO NAD 2.08333
43 4KP7 NAP 2.08333
44 4KP7 1UQ 2.08333
45 5JE8 NAD 2.08333
46 3NYC IAR 2.08333
47 3NYC FAD 2.08333
48 5YU3 NAD 2.08333
49 5YU3 PRO 2.08333
50 3K7M FAD 2.08333
51 2YVF NAD 2.08333
52 2YVF FAD 2.08333
53 3WLE NAD 2.08333
54 3A4T SFG 2.18978
55 5I39 FAD 2.20588
56 3HVJ 705 2.26244
57 2YY7 NAD 2.43056
58 4ZVV GN0 2.43056
59 4ZVV NAD 2.43056
60 1WVG APR 2.43056
61 1PJS NAD 2.43056
62 1V6A TRE 2.43056
63 9LDT NAD 2.43056
64 9LDB NAD 2.43056
65 1U1I NAD 2.43056
66 1E3I CXF 2.43056
67 6CEP OXM 2.43056
68 6CEP NAD 2.43056
69 4RF7 ARG 2.43056
70 2ZJ1 ARJ 2.43056
71 2Q7V FAD 2.43056
72 2ZJ1 NAD 2.43056
73 1GPE FAD 2.43056
74 3RNM FAD 2.43056
75 5EZ7 FAD 2.43056
76 1O6Z NAD 2.43056
77 5CAE COA 2.43056
78 3B1J NAD 2.43056
79 6F97 FAD 2.43056
80 3OZ2 FAD 2.43056
81 4OOE FOM 2.43056
82 1PN0 FAD 2.43056
83 4OOE NDP 2.43056
84 1HDG NAD 2.43056
85 3B20 NAD 2.43056
86 1PN0 IPH 2.43056
87 5CAE SIN 2.43056
88 4DPL NAP 2.43056
89 1PS9 FAD 2.43056
90 2VVL FAD 2.43056
91 1GQ2 NAP 2.43056
92 1KEV NDP 2.43056
93 2VVM FAD 2.43056
94 4AVV GHE 2.45098
95 4AVV CD 2.45098
96 2F1K NAP 2.50896
97 5Z21 NAI 2.51397
98 4D79 ATP 2.53623
99 1XXA ARG 2.5641
100 3CBG SAH 2.58621
101 2EV9 NAP 2.6616
102 2EV9 SKM 2.6616
103 3W9F I3P 2.69231
104 3MB5 SAM 2.7451
105 4GLL NAD 2.77778
106 1KEW NAD 2.77778
107 1KEW TYD 2.77778
108 1F8G NAD 2.77778
109 1UWK URO 2.77778
110 1UWK NAD 2.77778
111 4OPC FDA 2.77778
112 4OPC PGT 2.77778
113 3L9W AMP 2.77778
114 2DFV NAD 2.77778
115 5H81 NAP 2.77778
116 1X87 NAD 2.77778
117 1LLU NAD 2.77778
118 1OMO NAD 2.77778
119 1H2B NAJ 2.77778
120 3L9W GSH 2.77778
121 1UP7 NAD 2.77778
122 4TQG NDP 2.78638
123 4C2W ANP 2.86738
124 2DC1 NAD 2.9661
125 5X68 FAD 3.06905
126 5N5D SAM 3.09735
127 3C1O NAP 3.11526
128 3A4V PYR 3.125
129 3A4V NAD 3.125
130 2VHW NAI 3.125
131 4LHD GLY 3.125
132 2C7G FAD 3.125
133 1NVM NAD 3.125
134 2C7G ODP 3.125
135 2JHP SAH 3.125
136 1MV8 NAD 3.125
137 1H9A NAP 3.125
138 1BXG NAD 3.125
139 4DFU QUE 3.125
140 2IF8 ADP 3.125
141 5EOW FAD 3.125
142 1J5P NAD 3.16206
143 1I2B UPG 3.21782
144 1I2B USQ 3.21782
145 1I2B NAD 3.21782
146 2VT3 ATP 3.25581
147 1SW1 PBE 3.27273
148 4CNK FAD 3.32481
149 5BUK FAD 3.47222
150 5BVA FAD 3.47222
151 1E1M NAP 3.47222
152 1E1M FAD 3.47222
153 1PL6 NAD 3.47222
154 2P41 SAH 3.47222
155 3H5N ATP 3.47222
156 1CER NAD 3.47222
157 1PL6 572 3.47222
158 1REO FAD 3.47222
159 1YY5 FAD 3.47222
160 1RSG FAD 3.47222
161 5YAK FMN 3.47222
162 2E5V FAD 3.47222
163 3E3U NVC 3.5533
164 4Z4P SAH 3.61446
165 3EVG SAH 3.63636
166 1F5V FMN 3.75
167 1R6D NAD 3.81944
168 1BXK NAD 3.81944
169 1R6D DAU 3.81944
170 5YEC ATP 3.81944
171 5NUF NAD 3.81944
172 5NUE NAD 3.81944
173 5LD5 NAD 3.81944
174 1LTH NAD 3.81944
175 6G7N DGL 3.81944
176 4AP3 NAP 3.81944
177 4AP3 FAD 3.81944
178 4RQU NAD 3.81944
179 1V59 NAD 3.81944
180 5X9D 80F 3.81944
181 1V59 FAD 3.81944
182 5J5Z FAD 3.81944
183 1GR0 NAD 3.81944
184 2HQM FAD 3.81944
185 5BRT FAD 3.81944
186 5BRT CH9 3.81944
187 4MIG G3F 3.81944
188 5KZD RCJ 3.81944
189 1GZ4 ATP 3.81944
190 1TDF NAP 3.81944
191 5TS5 FAD 3.81944
192 4UP3 NDP 3.81944
193 3UCL NAP 3.81944
194 4ZCC NAI 3.81944
195 4ZCC FAD 3.81944
196 1A99 PUT 3.81944
197 1E6E FAD 3.90625
198 6GAS FAD 3.92749
199 1R18 SAH 3.96476
200 3DUW SAH 4.03587
201 1P77 ATR 4.04412
202 6AR9 3L4 4.04412
203 5CUQ NSC 4.11985
204 5ZEC NAP 4.16667
205 2FR1 NDP 4.16667
206 1N7G NDP 4.16667
207 5MSO NAP 4.16667
208 1N7G GDR 4.16667
209 3VPH NAD 4.16667
210 3VPH OXM 4.16667
211 6BII NAP 4.16667
212 5KKA 6V0 4.16667
213 3KB6 NAD 4.16667
214 3SQP FAD 4.16667
215 5Z20 NAI 4.16667
216 1GET NAP 4.16667
217 2B5W NAP 4.16667
218 3FPZ AHZ 4.16667
219 1SC6 NAD 4.16667
220 5A04 BGC 4.16667
221 5A04 NDP 4.16667
222 1GET FAD 4.16667
223 2A8X FAD 4.16667
224 2FZW NAD 4.16667
225 1TE2 PGA 4.16667
226 4M52 FAD 4.16667
227 2WZV FMN 4.25532
228 2FWP ICR 4.37158
229 4PIV NDP 4.39394
230 2C5A NAD 4.51389
231 2C5A GDC 4.51389
232 5A1T NAI 4.51389
233 5A1T OXM 4.51389
234 3ABI NAD 4.51389
235 2GZ3 NAP 4.51389
236 5ZI2 NAD 4.51389
237 3TTM PUT 4.51389
238 5ZI2 ADP 4.51389
239 6AIN FAD 4.51389
240 4L8V NAP 4.51389
241 1SAY PYR 4.51389
242 4TXI FAD 4.51389
243 1LDM NAD 4.51389
244 3NKS FAD 4.51389
245 2BRY FAD 4.51389
246 4RSL FAD 4.51389
247 3X01 AMP 4.51389
248 1WDK NAD 4.51389
249 5X20 NAD 4.51389
250 1MO9 KPC 4.51389
251 3O7W SAM 4.51389
252 2Y7P SAL 4.58716
253 1JNR FAD 4.66667
254 5GVR LMR 4.70085
255 4PVD NDP 4.86111
256 3V1Y NAD 4.86111
257 3LZW FAD 4.86111
258 3LZW NAP 4.86111
259 3NJ4 NAD 4.86111
260 1HKU NAD 4.86111
261 3NJ4 AFX 4.86111
262 1J0X NAD 4.86111
263 2JB2 FAD 4.86111
264 2JB2 PHE 4.86111
265 1MUU NAD 4.86111
266 2NU8 COA 4.86111
267 1ZK7 FAD 4.86111
268 3TTN SPD 4.86111
269 3RFV NAI 4.86891
270 3RFV 15L 4.86891
271 1H82 GZZ 4.87288
272 1H82 FAD 4.87288
273 1EJ0 SAM 5
274 1WMA NDP 5.07246
275 1WMA AB3 5.07246
276 3QX9 ATP 5.07246
277 5T85 44G 5.11628
278 5K4W THR 5.20833
279 5K4W NAI 5.20833
280 1GV0 NAD 5.20833
281 5AOV NAP 5.20833
282 3HQ9 OXL 5.20833
283 2B4R NAD 5.20833
284 1YQZ FAD 5.20833
285 5JJR SAH 5.20833
286 4BG4 ARG 5.20833
287 5LXB 7A9 5.20833
288 5JCA FAD 5.20833
289 5JCA NDP 5.20833
290 3LAD FAD 5.20833
291 2B4R AES 5.20833
292 5IN4 6CK 5.21978
293 5IN4 GDP 5.21978
294 5IN4 NAP 5.21978
295 2YG3 FAD 5.29801
296 5L95 AMP 5.37634
297 3WV8 ATP 5.50459
298 3KO8 NAD 5.55556
299 1GUZ NAD 5.55556
300 1DKU AP2 5.55556
301 1UDB UFG 5.55556
302 1UDB NAD 5.55556
303 5KOX RFP 5.55556
304 5KOX FAD 5.55556
305 5M90 JIF 5.55556
306 2QA1 FAD 5.55556
307 1BW9 NAD 5.55556
308 2I3G NAP 5.55556
309 2IVD FAD 5.55556
310 5WGR FAD 5.55556
311 1C1X NAD 5.55556
312 1L7E NAI 5.55556
313 3G5S FAD 5.55556
314 5JAQ NAI 5.55556
315 1X7D ORN 5.55556
316 5U8U FAD 5.55556
317 1X7D NAD 5.55556
318 2IID PHE 5.55556
319 2IID FAD 5.55556
320 6D6Y SAH 5.55556
321 1RYI GOA 5.55556
322 4W6Z 8ID 5.55556
323 1RYI FAD 5.55556
324 1LUA NAP 5.57491
325 1RM4 NDP 5.63798
326 4CJX NAP 5.64263
327 4KOA NDP 5.70571
328 1LSS NAD 5.71429
329 2BKA NDP 5.78512
330 5V6F MAN BMA MAN 5.7971
331 4XQC 13D 5.89474
332 4XQC NAD 5.89474
333 4HXY NDP 5.90278
334 1RKX NAD 5.90278
335 2C29 NAP 5.90278
336 2C29 DQH 5.90278
337 2CVQ NDP 5.90278
338 1YKJ FAD 5.90278
339 1YKJ PHB 5.90278
340 3H9E NAD 5.90278
341 1RM0 D6P 5.90278
342 2QRK AMP 5.90278
343 1RM0 NAI 5.90278
344 2RGJ FAD 5.90278
345 1V8B NAD 5.90278
346 1WP4 NDP 5.90278
347 2CDC NAP 5.90278
348 2CDC XYP 5.90278
349 2CDC XYS 5.90278
350 2XVE FAD 5.90278
351 3G2O SAM 6.02007
352 3FSY SCA 6.0241
353 2JHF NAD 6.14973
354 2WA2 SAM 6.15942
355 1SB8 UD2 6.25
356 1SB8 NAD 6.25
357 3LU1 NAD 6.25
358 5MLR NAP 6.25
359 5MLR GRQ 6.25
360 1PZG A3D 6.25
361 1X14 NAD 6.25
362 2DKH FAD 6.25
363 2DKH 3HB 6.25
364 3O9Z NAD 6.25
365 3OND ADN 6.25
366 3OND NAD 6.25
367 3O9Z AKG 6.25
368 5HSA FAS 6.25
369 5G3U FDA 6.25
370 5G3U ITW 6.25
371 1Q0H NDP 6.25
372 1Q0H FOM 6.25
373 4D04 FAD 6.25
374 4D04 NAP 6.25
375 3OJO NAD 6.25
376 5N0J FAD 6.25
377 4IV9 FAD 6.25
378 1D4D FAD 6.25
379 1ZQ9 SAM 6.31579
380 3JWH SAH 6.45161
381 1OC2 NAD 6.59722
382 1OC2 TDX 6.59722
383 3AB1 FAD 6.59722
384 1EZ4 NAD 6.59722
385 1GTE FAD 6.59722
386 1DJN ADP 6.59722
387 1O0S NAI 6.59722
388 1JQ3 AAT 6.59722
389 2AJH MET 6.63265
390 5T9F TYR 6.64207
391 5T9F NAP 6.64207
392 5T9E NAP 6.64207
393 1KYQ NAD 6.93431
394 4ZRN NAD 6.94444
395 4ZRN UPG 6.94444
396 1RPN NDP 6.94444
397 1T26 GBD 6.94444
398 1T26 NAI 6.94444
399 2A92 NAI 6.94444
400 5MIT NAP 6.94444
401 5MIT FAD 6.94444
402 5M67 NAD 6.94444
403 5M67 3D1 6.94444
404 5M67 ADE 6.94444
405 5ERG SAM 6.94444
406 3TWO NDP 6.94444
407 2ZXI FAD 6.94444
408 1U3U NAD 6.94444
409 1U3U BNF 6.94444
410 2DT5 NAD 7.109
411 2DBZ NAP 7.18563
412 1UXG FUM 7.29167
413 1UXG NAD 7.29167
414 1LDN NAD 7.29167
415 1LDN OXM 7.29167
416 5XNC MTA 7.29167
417 5YB7 ORN 7.29167
418 5YB7 FAD 7.29167
419 4JNA FAD 7.29167
420 5KVS NAP 7.29167
421 1KJ8 GAR 7.29167
422 4MOP 2H5 7.29167
423 3S5W FAD 7.29167
424 4J4H 1J1 7.33591
425 4J4H NAI 7.33591
426 4JK3 NAD 7.33591
427 1TZD ADP 7.63636
428 4J1Q NDP 7.63889
429 4EUE NAI 7.63889
430 5UR0 NAD 7.63889
431 1EBF NAD 7.63889
432 2FHE GSH 7.87037
433 4NEC SAH 7.95455
434 5XWV NDP 7.98611
435 5XWV 8H6 7.98611
436 4U7W NDP 7.98611
437 1D7O NAD 7.98611
438 1D7O TCL 7.98611
439 5DF1 NAP 7.98611
440 5DF1 58X 7.98611
441 5MZI FYK 7.98611
442 5MZI FAD 7.98611
443 3BAZ NAP 7.98611
444 5Y77 FAD 7.98611
445 5KMS NAD 7.98611
446 3GCZ SAM 8.15603
447 2D2I NAP 8.1579
448 3KLJ FAD 8.31169
449 5BJX NAD 8.33333
450 5BJX UDP 8.33333
451 1Z45 NAD 8.33333
452 1GY8 NAD 8.33333
453 1EQ2 NAP 8.33333
454 1U8X NAD 8.33333
455 1CF2 NAP 8.33333
456 4NTC FAD 8.33333
457 1SOW NAD 8.53659
458 1DCP HBI 8.65385
459 6BWL NAD 8.68056
460 1V35 NAI 8.68056
461 1RJW ETF 8.68056
462 2PV7 NAD 8.68056
463 4X1B MLI 8.68056
464 2Q0L NAP 8.68056
465 1RP0 AHZ 8.68056
466 1EK6 UPG 9.02778
467 1EK6 NAI 9.02778
468 2UYQ SAM 9.02778
469 3OA2 NAD 9.02778
470 5JY6 NAD 9.02778
471 6DNT NAD 9.375
472 5MDH NAD 9.375
473 4GKV NAD 9.375
474 4MDH NAD 9.375
475 1E5Q NDP 9.375
476 5TOW NAI 9.375
477 5TOW ADN 9.375
478 3H8V ATP 9.375
479 1VM6 NAD 9.64912
480 2GN4 UD1 9.72222
481 2GN4 NDP 9.72222
482 5N6C NAD 9.72222
483 3CIF NAD 9.72222
484 6GAR FAD 9.72222
485 3CIF G3H 9.72222
486 2GCG NDP 9.72222
487 3ORF NAD 9.96016
488 1ORR NAD 10.0694
489 1TI7 NAP 10.0694
490 2VUT NAD 10.0694
491 5ZZ6 NAD 10.0962
492 5ZZ6 ADP 10.0962
493 5X2N ALA 10.1382
494 1A5Z NAD 10.3448
495 3AD8 NAD 10.3448
496 5J32 IPM 10.4167
497 3EJ0 11X 10.7143
498 6EL3 NAP 10.7639
499 4YSX FAD 10.8974
500 2Q1S NAI 11.1111
501 3GFB NAD 11.1111
502 1FP1 SAH 11.1111
503 5UAV TFB 11.1111
504 5UAV NDP 11.1111
505 2R4J FAD 11.1111
506 2R4J 13P 11.1111
507 5YRM BGC GLC 11.2676
508 1NM5 NAD 11.33
509 4M1U A2G MBG 11.4286
510 4G5H NAP 11.4583
511 4G5H UD7 11.4583
512 5Y1G NAD 11.4583
513 5Y1G AKB 11.4583
514 6AA8 NAD 11.4583
515 5TUF TDC 11.4583
516 5TUF FAD 11.4583
517 2PZM NAD 11.8056
518 2PZM UDP 11.8056
519 1Y1P NMN AMP PO4 11.8056
520 3A06 NDP 11.8056
521 3A06 FOM 11.8056
522 1GAD NAD 11.8056
523 1V47 ADX 11.8056
524 2EXX NAP 12.1528
525 5ODQ FAD 12.1528
526 3AYI HCI 12.1528
527 3AYI FAD 12.1528
528 1C3V NDP 12.2449
529 2Q1W NAD 12.5
530 2GSD NAD 12.5
531 1HYE NAP 12.5
532 4JDR FAD 12.8472
533 4Z0H NAD 12.8472
534 3LKZ SFG 12.8472
535 4EIP FAD 12.8472
536 3R75 PYR 12.8472
537 2QV7 ADP 12.8472
538 2X6T NAP 13.1944
539 2HK9 ATR 13.1944
540 5DN9 NAD 13.1944
541 2HK9 NAP 13.1944
542 2OOR NAD 13.2184
543 1E7S NAP 13.5417
544 2Y6Q I7T 13.5417
545 2Y6Q FAD 13.5417
546 2NAD NAD 13.5417
547 1DLJ UGA 13.5417
548 1DLJ NAI 13.5417
549 2HMT NAI 13.8889
550 1DSS NAD 13.8889
551 2VYN NAD 13.8889
552 4D3F NAP 13.8889
553 4XYB NDP 14.2361
554 1HDR NAD 14.3443
555 3O26 NDP 14.9306
556 5O4J SAH 14.9635
557 5O4J 9KH 14.9635
558 3CH6 311 15.035
559 3CH6 NAP 15.035
560 4K26 NDP 15.2174
561 4K26 SFF 15.2174
562 5L53 NAP 15.2778
563 5L4S NAP 15.2778
564 5L4S 6KX 15.2778
565 5WP5 SAH 15.2778
566 3QV1 NAD 15.8537
567 4O1M NAD 17.0139
568 2F5Z FAD 17.1875
569 1GZ6 NAI 17.7083
570 2JJQ SAH 18.0556
571 5TCI MLI 18.4028
572 4J36 FAD 18.75
573 4J36 1HR 18.75
574 2VTD LKM 19.0972
575 5OOH NAP 19.4175
576 5OOH 9ZZ 19.4175
577 3GGO ENO 19.4444
578 3GGO NAI 19.4444
579 1FK8 NAD 19.4553
580 2DKN NAI 20.7843
581 5I7S NAD 21.3768
582 5I7S E9P 21.3768
583 1XSE NDP 21.6949
584 5EES NAP 21.8623
585 3KIH GDL 23.7113
586 2Q46 NAP 25.6917
587 3HB5 NAP 26.7361
588 1A27 NAP 26.7361
589 1N5D NDP 27.7778
590 4Q9N NAI 28.1879
591 5TC4 NAD 28.4722
592 1ZBQ NAD 29.5139
593 4J7U YTZ 29.8611
594 4J7U NAP 29.8611
595 3RJ5 NAD 31.4961
596 2BD0 NAP 31.9672
597 1OAA OAA 32.0463
598 2GDZ NAD 35.9551
599 1Z6Z NAP 36.5248
600 1W8D NAP 37.7483
601 1W73 NAP 37.7483
602 4FC7 COA 38.6282
603 4FC7 NAP 38.6282
604 4D42 NAP 39.0071
605 4D42 W0I 39.0071
606 1W6U NAP 39.0728
607 2PD4 NAD 39.6364
608 2PD4 DCN 39.6364
609 3ZV6 NAD 39.8577
610 3ZV6 4HB 39.8577
611 3V1U NAD 39.9306
612 3OIG NAD 40.6015
613 5EJ2 NAD 40.625
614 5OVL NAP 40.625
615 1NNU NAD 41.6667
616 1NNU TCT 41.6667
617 3WXB NDP 41.9355
618 1U7T TDT 42.1456
619 1U7T NAD 42.1456
620 1E3W NAD 42.1456
621 3RKR NAP 42.3664
622 6F9Q NAD 42.6471
623 1E6W NAD 42.6923
624 5Z2L NDP 42.8571
625 1QG6 NAD 42.9119
626 1QG6 TCL 42.9119
627 4OHU 2TK 43.4028
628 4OHU NAD 43.4028
629 5CG1 NAD BBN 43.4028
630 1NFQ NAI 43.4615
631 2Q2V NAD 43.5294
632 2WYV NAD 43.6782
633 1HDC CBO 43.7008
634 3OJF NDP 43.9689
635 3OJF IMJ 43.9689
636 1YXM ADE 44.0972
637 1UZN NAP 44.1296
638 1G0N PHH 44.1696
639 1G0N NDP 44.1696
640 1X1T NAD 44.2308
641 3ICC NAP 44.3137
642 3VZS CAA 44.358
643 3VZS NAP 44.358
644 3QWI NAP 44.4444
645 3QWI CUE 44.4444
646 5OJI NAP 45
647 5OJI ISN 45
648 1AE1 NAP 45.0549
649 5O42 9JW 45.2555
650 5O42 NAD 45.2555
651 5O42 BGC 45.2555
652 5B4T 3HR 45.3846
653 5B4T NAD 45.3846
654 2ZAT NAP 45.3846
655 4ZA2 NAD 45.4545
656 5OVK NDP 45.7031
657 2DTX BMA 45.8333
658 2RH4 EMO 45.8484
659 6CI9 NAP 45.9459
660 3AFN NAP 46.124
661 1ZEM NAD 46.1832
662 3NUG NAD 46.5587
663 1VL8 NAP 46.8165
664 3O03 NAP 46.875
665 2AE2 NAP 46.9231
666 2AE2 PTO 46.9231
667 4URF NAD 47.1774
668 4URF 1PS 47.1774
669 3AY6 NAI 47.2119
670 3AY6 BGC 47.2119
671 1O5I NAD 47.3896
672 1ZK4 NAP 47.4104
673 1ZK4 AC0 47.4104
674 1H5Q NAP 47.5472
675 2CFC NAD 47.6
676 2WSB NAD 47.6378
677 1XKQ NDP 47.8571
678 2B4Q NAP 48.1884
679 1PR9 NAP 48.3607
680 3D3W NAP 48.3607
681 4QED NAP 48.7903
682 3OID NDP 48.8372
683 4NBT NAD 49.1667
684 1GEE NAD 49.4253
Pocket No.: 2; Query (leader) PDB : 5JCJ; Ligand: NAP; Similar sites found with APoc: 82
This union binding pocket(no: 2) in the query (biounit: 5jcj.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1YJQ NAP 1.73611
2 5O2N FLC 1.73611
3 6F3M NAD 2.08333
4 6F3N NAD 2.08333
5 6F3N ADN 2.08333
6 3VKX T3 2.29885
7 5MBX FAD 2.43056
8 5MBX SP5 2.43056
9 5EIN NAP 2.43056
10 5O9F 9ON 2.43056
11 5O9F NAD 2.43056
12 1I8T FAD 2.43056
13 3FPF MTA 2.43056
14 3FPF TNA 2.43056
15 2XVM SAH 2.51256
16 1XCL SAH 2.55319
17 5ZYN FAD 2.76008
18 3LXI CAM 2.77778
19 5NA1 FAD 2.77778
20 5LQ8 GB 2.83688
21 2GV8 FAD 3.125
22 3L4S 3PG 3.125
23 3L4S NAD 3.125
24 1VQW FAD 3.125
25 2GVC FAD 3.125
26 5FJN BE2 3.47222
27 5FJN FAD 3.47222
28 5UAO FAD 3.47222
29 3GGF GVD 3.47222
30 3WBF API 3.47222
31 4MO2 FDA 3.53261
32 1J49 NAD 3.6036
33 3UCL CYH 3.81944
34 3UCL FAD 3.81944
35 5JCM FAD 3.81944
36 5JCM ISD 3.81944
37 5JCM NAD 3.81944
38 2RGO FAD 3.81944
39 2PT9 2MH 3.81944
40 2I7C AAT 3.88693
41 2UVO NAG 4.09357
42 2UVO NDG 4.09357
43 3QVP FAD 4.16667
44 2AQJ FAD 4.16667
45 2AQJ TRP 4.16667
46 3A4M ADP 4.23077
47 4CS9 AMP 4.2328
48 1KOL NAD 4.51389
49 2GMH FAD 4.51389
50 4JLS 3ZE 4.60526
51 1QO8 FAD 4.86111
52 3X0V FAD 4.86111
53 3ZNN FAD 4.86111
54 3ZNN 4WL 4.86111
55 2RGH FAD 5.20833
56 1LVL NAD 5.24017
57 3KP6 SAL 5.29801
58 2XVF FAD 5.55556
59 3WGT FAD 5.55556
60 6FP4 E1T 5.55556
61 3WGT QSC 5.55556
62 4MP8 MLI 5.90278
63 4MP8 NAD 5.90278
64 3IHG FAD 6.59722
65 1O94 ADP 6.59722
66 1I36 NAP 6.81818
67 1Q9I FAD 6.94444
68 1Q9I TEO 6.94444
69 3KAL HGS 7.29167
70 2XYQ SAH 8.19672
71 4BJZ P3A 8.68056
72 4BJZ FAD 8.68056
73 1D1T NAD 8.68056
74 2Q0L FAD 8.68056
75 4REP FAD 9.02778
76 4EMI NAD 9.72222
77 4EMI FAD 9.72222
78 4EMJ FAD 9.72222
79 2IZ1 ATR 11.4583
80 5NC1 NAG 12.2363
81 5O4J PJL 14.9635
82 4URX HXY 33.5135
Pocket No.: 3; Query (leader) PDB : 5JCJ; Ligand: 6JM; Similar sites found with APoc: 80
This union binding pocket(no: 3) in the query (biounit: 5jcj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1YJQ NAP 1.73611
2 1P4A PCP 1.75439
3 1HYH NAD 2.08333
4 3A7R LAQ 2.08333
5 5JE8 NAD 2.08333
6 4OYA 1VE 2.43056
7 5M4Q PRO 2.43056
8 1H74 ADP 2.43056
9 2XBK XBK 2.43056
10 5UC4 83S 2.72727
11 5ZYN FAD 2.76008
12 2ORV 4TA 2.99145
13 4TMC FMN 3.125
14 1YC4 43P 3.78788
15 1VYP TNF 3.81944
16 5GMH RX8 3.81944
17 1FC4 AKB PLP 3.81944
18 1DB1 VDX 3.861
19 4J5R A1R 4.10959
20 2FR1 NDP 4.16667
21 3F70 MLZ 4.16667
22 3VPH NAD 4.16667
23 1W4R TTP 4.61538
24 1QO8 FAD 4.86111
25 1DUV PSQ 4.86111
26 4G6I RS3 5.20833
27 3LU1 NAD 6.25
28 6FYZ EBE 6.25
29 1GTE IUR 6.59722
30 1GTE FMN 6.59722
31 1LJ8 NAD 6.94444
32 1M2W NAD 6.94444
33 1LDN NAD 7.29167
34 2E5A LAQ 7.63889
35 3GDH MGP 7.88382
36 5XWV NDP 7.98611
37 3AI7 TPP 7.98611
38 1OYB FMN 8
39 1EK6 UPG 9.02778
40 4C5N ACP 9.02778
41 2GN4 UD1 9.72222
42 5UKL SIX 9.72222
43 1Z4O GL1 10.7639
44 5O4J SAH 14.9635
45 3CH6 311 15.035
46 3CH6 NAP 15.035
47 4K26 SFF 15.2174
48 4UXH T5A 20.6522
49 1XSE NDP 21.6949
50 3HB5 E2B 26.7361
51 3HB5 NAP 26.7361
52 1A27 EST 26.7361
53 3RJ5 NAD 31.4961
54 1OAA OAA 32.0463
55 4FC7 NAP 38.6282
56 4FC7 COA 38.6282
57 1W6U HXC 39.0728
58 1U7T NAD 42.1456
59 1NFQ NAI 43.4615
60 1G0N NDP 44.1696
61 1X1T NAD 44.2308
62 3VZS CAA 44.358
63 3VZS NAP 44.358
64 3AI3 SOL 44.4867
65 5OJI NAP 45
66 5OJI ISN 45
67 5B4T 3HR 45.3846
68 5B4T NAD 45.3846
69 2DTX BMA 45.8333
70 2RH4 EMO 45.8484
71 6CI9 F3V 45.9459
72 6CI9 NAP 45.9459
73 3NUG NAD 46.5587
74 2AE2 PTO 46.9231
75 2AE2 NAP 46.9231
76 3AY6 BGC 47.2119
77 1ZK4 AC0 47.4104
78 1ZK4 NAP 47.4104
79 2WSB NAD 47.6378
80 1GEE NAD 49.4253
Pocket No.: 4; Query (leader) PDB : 5JCJ; Ligand: 6JM; Similar sites found with APoc: 77
This union binding pocket(no: 4) in the query (biounit: 5jcj.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZFZ ARG None
2 6F5W KG1 0.694444
3 4GU5 FAD 1.38889
4 5X5U NAD 1.38889
5 3RHJ NAP 1.73611
6 6EOM ALA LYS 2.08333
7 1JQD SAH 2.43056
8 5C9P FUC 2.43056
9 2AOT SAH 2.43056
10 4GLL NAD 2.77778
11 3FXU TSU 2.77778
12 3A4V PYR 3.125
13 3A4V NAD 3.125
14 4A0M NAD 3.125
15 5I35 ANP 3.125
16 2FAV APR 3.33333
17 3KA2 2NC 3.44828
18 5SYN 71T 3.4632
19 2OJW ADP 3.47222
20 5ZEC NAP 4.16667
21 1SG4 CO8 4.23077
22 5SYM 71Q 4.34783
23 4PIV NDP 4.39394
24 1X8J A3P 4.8433
25 4UBT COA 4.86111
26 4ONA UW1 5.20833
27 5K4W NAI 5.20833
28 1UDB UFG 5.55556
29 1UDB NAD 5.55556
30 3C8Z 5CA 5.55556
31 4IZC 1GZ 5.81818
32 4OOP DUP 6.0241
33 1YKF NAP 6.25
34 2XGT NSS 6.25
35 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 6.75676
36 4ZRN NAD 6.94444
37 4YHQ G10 7.07071
38 5V2J 7WV 7.29167
39 5V2J UDP 7.29167
40 2GKS ADP 7.63889
41 5XWV 8H6 7.98611
42 5C5H 4YB 8.38852
43 2Q1W NAD 12.5
44 5BZ4 COA 12.5
45 4K26 NDP 15.2174
46 2DKN NAI 20.7843
47 4J7U YTZ 29.8611
48 4J7U NAP 29.8611
49 2BD0 NAP 31.9672
50 2GDZ NAD 35.9551
51 5OVL NAP 40.625
52 1U7T TDT 42.1456
53 1E3W NAD 42.1456
54 1E6W NAD 42.6923
55 5Z2L NDP 42.8571
56 2Q2V NAD 43.5294
57 1HDC CBO 43.7008
58 1G0N PHH 44.1696
59 3ICC NAP 44.3137
60 3QWI CUE 44.4444
61 3QWI NAP 44.4444
62 1AE1 NAP 45.0549
63 5O42 9JW 45.2555
64 5O42 BGC 45.2555
65 5O42 NAD 45.2555
66 2ZAT NAP 45.3846
67 5OVK NDP 45.7031
68 3AFN NAP 46.124
69 4URF NAD 47.1774
70 3AY6 NAI 47.2119
71 2CFC NAD 47.6
72 1XKQ NDP 47.8571
73 2B4Q NAP 48.1884
74 1PR9 NAP 48.3607
75 3D3W NAP 48.3607
76 4QED NAP 48.7903
77 4NBT NAD 49.1667
Pocket No.: 5; Query (leader) PDB : 5JCJ; Ligand: NAP; Similar sites found with APoc: 9
This union binding pocket(no: 5) in the query (biounit: 5jcj.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3SUC ATP 2.77778
2 4NYT PC 3.22581
3 1MO9 FAD 4.51389
4 4USQ FAD 5.55556
5 1GPJ CIT 5.90278
6 4RDH AMP 6.59722
7 2GKS ADP 7.63889
8 4CJN QNZ 9.02778
9 1MFI FHC 15.7895
Pocket No.: 6; Query (leader) PDB : 5JCJ; Ligand: 6JM; Similar sites found with APoc: 20
This union binding pocket(no: 6) in the query (biounit: 5jcj.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4I6G FAD 1.75781
2 6FE1 V14 2.33463
3 5ZM0 FAD 2.43056
4 4INB 1F6 2.73973
5 2J4D FAD 2.77778
6 4TQG NDP 2.78638
7 3B7G ANP 3.04348
8 5LW0 AR6 3.4632
9 3KJS DQ1 3.81944
10 3PE2 E1B 4.16667
11 5FLJ QUE 4.30108
12 4PIV 2W4 4.39394
13 2C29 NAP 5.90278
14 4ZRN UPG 6.94444
15 5FI3 NAP 6.94444
16 5DUS APR 7.7381
17 4C5N PXL 9.02778
18 3ORF NAD 9.96016
19 3ZV6 4HB 39.8577
20 3OJF IMJ 43.9689
Pocket No.: 7; Query (leader) PDB : 5JCJ; Ligand: NAP; Similar sites found with APoc: 7
This union binding pocket(no: 7) in the query (biounit: 5jcj.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4FBL SPD 1.77936
2 4BHL ARG 3.125
3 4KRG SAH 6.59722
4 1Z6K OAA 7.29167
5 2BMB PMM 9.72222
6 4YEE 4CQ 14.4444
7 3KIF GDL 20.7547
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