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Receptor
PDB id Resolution Class Description Source Keywords
5K6A 1.7 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE 1 (PTR1) IN COMPLEX W COMPOUND 1 TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXIDOREDUCTASE
Ref.: CHROMAN-4-ONE DERIVATIVES TARGETING PTERIDINE REDUC AND SHOWING ANTI-PARASITIC ACTIVITY. MOLECULES V. 22 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6QT D:302;
B:302;
A:302;
C:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 31 uM
256.253 C15 H12 O4 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 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
5K6A 1.7 Å EC: 1.-.-.- TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE 1 (PTR1) IN COMPLEX W COMPOUND 1 TRYPANOSOMA BRUCEI BRUCEI TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE OXIDOREDUCTASE
Ref.: CHROMAN-4-ONE DERIVATIVES TARGETING PTERIDINE REDUC AND SHOWING ANTI-PARASITIC ACTIVITY. MOLECULES V. 22 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5K6A ic50 = 31 uM 6QT C15 H12 O4 c1cc(cc(c1....
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 5K6A ic50 = 31 uM 6QT C15 H12 O4 c1cc(cc(c1....
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 5K6A ic50 = 31 uM 6QT C15 H12 O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6QT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 6QT 1 1
2 DDC 0.41791 0.961538
3 DFL 0.402985 0.923077
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 : 5K6A; Ligand: NAP; Similar sites found with APoc: 729
This union binding pocket(no: 1) in the query (biounit: 5k6a.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5ULP KB1 None
2 2XVM SAH 1.00503
3 2WPB ZZI 1.04167
4 4BWL MN9 1.04167
5 3GU3 SAH 1.05634
6 1SL6 GAL NDG FUC 1.08696
7 5E9W SAH 1.38889
8 1ZGA SAH 1.38889
9 5E8J SAH 1.38889
10 1NYT NAP 1.47601
11 5D4V SAH 1.49254
12 2IXB A2G 1.73611
13 2IXB NAD 1.73611
14 6A0S NDP 1.73611
15 6A0S HSE 1.73611
16 2D7I UDP 1.73611
17 5AYV NAP 1.73611
18 5OC1 FAD 1.73611
19 4DSG UDP 1.73611
20 4DSG FAD 1.73611
21 3HAD NAD 1.73611
22 5TWB FAD 1.74419
23 2G5C NAD 1.77936
24 3KO0 TFP 1.9802
25 2YVJ NAI 2.08333
26 6FLZ MMA 2.08333
27 1HYH NAD 2.08333
28 3B1F NAD 2.08333
29 3I6I NDP 2.08333
30 3E1T FAD 2.08333
31 5X68 FAD 2.08333
32 2CDU ADP 2.08333
33 3WQQ IB3 2.08333
34 3WQQ NDP 2.08333
35 2O4C NAD 2.08333
36 1KYZ SAH 2.08333
37 3CMC NAD 2.08333
38 2CDU FAD 2.08333
39 3NYC FAD 2.08333
40 3NYC IAR 2.08333
41 5JE8 NAD 2.08333
42 4KP7 NAP 2.08333
43 1VKO NAD 2.08333
44 4KP7 1UQ 2.08333
45 5FYR INS 2.08333
46 4YCA NDP 2.08333
47 2YVF FAD 2.08333
48 2YVF NAD 2.08333
49 3K7M FAD 2.08333
50 5YU3 PRO 2.08333
51 5YU3 NAD 2.08333
52 3A4T SFG 2.18978
53 5I39 FAD 2.20588
54 3VKX T3 2.29885
55 3EGI ADP 2.42718
56 2YY7 NAD 2.43056
57 4ZVV GN0 2.43056
58 4ZVV NAD 2.43056
59 1WVG APR 2.43056
60 1PJS NAD 2.43056
61 1V6A TRE 2.43056
62 1O6Z NAD 2.43056
63 9LDT NAD 2.43056
64 9LDB NAD 2.43056
65 1U1I NAD 2.43056
66 1E3I CXF 2.43056
67 6CEP NAD 2.43056
68 6CEP OXM 2.43056
69 4RF7 ARG 2.43056
70 2Q7V FAD 2.43056
71 2ZJ1 ARJ 2.43056
72 2ZJ1 NAD 2.43056
73 1GPE FAD 2.43056
74 5EZ7 FAD 2.43056
75 4OOE FOM 2.43056
76 3RNM FAD 2.43056
77 4OOE NDP 2.43056
78 1HDG NAD 2.43056
79 3OZ2 FAD 2.43056
80 1PN0 FAD 2.43056
81 6F97 FAD 2.43056
82 1PN0 IPH 2.43056
83 1KEV NDP 2.43056
84 4DPL NAP 2.43056
85 1PS9 FAD 2.43056
86 2VVM FAD 2.43056
87 5C9P FUC 2.43056
88 2VVL FAD 2.43056
89 1GQ2 NAP 2.43056
90 5EIN NAP 2.43056
91 2GMH FAD 2.43056
92 4AVV GHE 2.45098
93 4AVV CD 2.45098
94 2F1K NAP 2.50896
95 5Z21 NAI 2.51397
96 4D79 ATP 2.53623
97 1XXA ARG 2.5641
98 3CBG SAH 2.58621
99 2EV9 SKM 2.6616
100 2EV9 NAP 2.6616
101 3W9F I3P 2.69231
102 2P3V SRT 2.73438
103 3MB5 SAM 2.7451
104 1KEW NAD 2.77778
105 1KEW TYD 2.77778
106 1F8G NAD 2.77778
107 2DFV NAD 2.77778
108 1UWK NAD 2.77778
109 1UWK URO 2.77778
110 4OPC FDA 2.77778
111 4OPC PGT 2.77778
112 5H81 NAP 2.77778
113 1UP7 NAD 2.77778
114 1X87 NAD 2.77778
115 3L9W AMP 2.77778
116 1OMO NAD 2.77778
117 3SUC ATP 2.77778
118 1LLU NAD 2.77778
119 1H2B NAJ 2.77778
120 3L9W GSH 2.77778
121 4FZV SAM 2.77778
122 4TQG NDP 2.78638
123 5LQ8 GB 2.83688
124 4C2W ANP 2.86738
125 2DC1 NAD 2.9661
126 4NON GDP 3.07692
127 5N5D SAM 3.09735
128 3C1O NAP 3.11526
129 4GLL NAD 3.125
130 3A4V PYR 3.125
131 5MLR NAP 3.125
132 5MLR GRQ 3.125
133 3A4V NAD 3.125
134 2VHW NAI 3.125
135 4LHD GLY 3.125
136 1H9A NAP 3.125
137 2C7G FAD 3.125
138 2C7G ODP 3.125
139 5MPT SAH 3.125
140 2IF8 ADP 3.125
141 5THY SAH 3.125
142 5WP4 SAH 3.125
143 1MV8 NAD 3.125
144 2JHP SAH 3.125
145 5EOW FAD 3.125
146 1R37 NAD 3.125
147 1BXG NAD 3.125
148 1J5P NAD 3.16206
149 1I2B USQ 3.21782
150 1I2B NAD 3.21782
151 1I2B UPG 3.21782
152 4NYT PC 3.22581
153 2VT3 ATP 3.25581
154 1SW1 PBE 3.27273
155 4CNK FAD 3.32481
156 5BUK FAD 3.47222
157 4RQU NAD 3.47222
158 5BVA FAD 3.47222
159 1E1M NAP 3.47222
160 1E1M FAD 3.47222
161 3H5N ATP 3.47222
162 3O9Z AKG 3.47222
163 3O9Z NAD 3.47222
164 1PL6 NAD 3.47222
165 1CER NAD 3.47222
166 2P41 SAH 3.47222
167 1REO FAD 3.47222
168 1PL6 572 3.47222
169 1YY5 FAD 3.47222
170 1RSG FAD 3.47222
171 3GGF GVD 3.47222
172 2E5V FAD 3.47222
173 5FJN FAD 3.47222
174 5FJN BE2 3.47222
175 3EVG SAH 3.63636
176 1R6D NAD 3.81944
177 1R6D DAU 3.81944
178 1BXK NAD 3.81944
179 5YEC ATP 3.81944
180 5NUF NAD 3.81944
181 5NUE NAD 3.81944
182 5LD5 NAD 3.81944
183 1LTH NAD 3.81944
184 6G7N DGL 3.81944
185 4AP3 FAD 3.81944
186 4AP3 NAP 3.81944
187 1V59 NAD 3.81944
188 5J5Z FAD 3.81944
189 1V59 FAD 3.81944
190 5X9D 80F 3.81944
191 1GR0 NAD 3.81944
192 5KZD RCJ 3.81944
193 5BRT FAD 3.81944
194 1NVM NAD 3.81944
195 2HQM FAD 3.81944
196 4MIG G3F 3.81944
197 5BRT CH9 3.81944
198 1T10 F6P 3.81944
199 5TS5 FAD 3.81944
200 4UP3 NDP 3.81944
201 2PT9 2MH 3.81944
202 5FA5 MTA 3.81944
203 1GZ4 ATP 3.81944
204 2AF6 BRU 3.81944
205 4ZCC FAD 3.81944
206 4ZCC NAI 3.81944
207 1TDF NAP 3.81944
208 1QH9 LAC 3.87931
209 2I7C AAT 3.88693
210 3KYF 5GP 5GP 3.8961
211 1E6E FAD 3.90625
212 6GAS FAD 3.92749
213 1R18 SAH 3.96476
214 2E1A MSE 4
215 3DUW SAH 4.03587
216 1P77 ATR 4.04412
217 6AR9 3L4 4.04412
218 2VDV SAM 4.06504
219 5CUQ NSC 4.11985
220 2FR1 NDP 4.16667
221 5ZEC NAP 4.16667
222 5MSO NAP 4.16667
223 1N7G NDP 4.16667
224 1N7G GDR 4.16667
225 3VPH NAD 4.16667
226 5KKA 6V0 4.16667
227 3VPH OXM 4.16667
228 6BII NAP 4.16667
229 3KB6 NAD 4.16667
230 3SQP FAD 4.16667
231 1GET NAP 4.16667
232 5Z20 NAI 4.16667
233 2B5W NAP 4.16667
234 3FPZ AHZ 4.16667
235 1SC6 NAD 4.16667
236 2A8X FAD 4.16667
237 5A04 BGC 4.16667
238 1GET FAD 4.16667
239 4M52 FAD 4.16667
240 3QVP FAD 4.16667
241 5A04 NDP 4.16667
242 2FWP ICR 4.37158
243 2FWP CIT 4.37158
244 4PIV NDP 4.39394
245 5A1T NAI 4.51389
246 5A1T OXM 4.51389
247 3ABI NAD 4.51389
248 2GZ3 NAP 4.51389
249 5ZI2 NAD 4.51389
250 2C5A GDC 4.51389
251 2C5A NAD 4.51389
252 5ZI2 ADP 4.51389
253 6AIN FAD 4.51389
254 1LDM NAD 4.51389
255 4TXI FAD 4.51389
256 1SAY PYR 4.51389
257 4L8V NAP 4.51389
258 3O7W SAM 4.51389
259 3TTM PUT 4.51389
260 3NKS FAD 4.51389
261 3X01 AMP 4.51389
262 4RSL FAD 4.51389
263 1MO9 KPC 4.51389
264 1MO9 FAD 4.51389
265 4R5M NAP 4.51389
266 1WDK NAD 4.51389
267 5X20 NAD 4.51389
268 2BRY FAD 4.51389
269 5DNK SAH 4.51389
270 2Y7P SAL 4.58716
271 4JLS 3ZE 4.60526
272 1JNR FAD 4.66667
273 4PVD NDP 4.86111
274 3V1Y NAD 4.86111
275 1SOW NAD 4.86111
276 3LZW FAD 4.86111
277 3LZW NAP 4.86111
278 3NJ4 AFX 4.86111
279 3NJ4 NAD 4.86111
280 1HKU NAD 4.86111
281 1J0X NAD 4.86111
282 1P31 EPU 4.86111
283 1MUU NAD 4.86111
284 4UCI SAM 4.86111
285 1ZK7 FAD 4.86111
286 3X0V FAD 4.86111
287 1QO8 FAD 4.86111
288 3ZNN 4WL 4.86111
289 3ZNN FAD 4.86111
290 3RFV NAI 4.86891
291 3RFV 15L 4.86891
292 1H82 GZZ 4.87288
293 1H82 FAD 4.87288
294 1APZ ASP 4.96454
295 1EJ0 SAM 5
296 3R51 MMA 5
297 3QX9 ATP 5.07246
298 2JHF NAD 5.08021
299 1U8X NAD 5.08475
300 5K4W THR 5.20833
301 5K4W NAI 5.20833
302 1UXG NAD 5.20833
303 1UXG FUM 5.20833
304 1GUZ NAD 5.20833
305 1GV0 NAD 5.20833
306 3HQ9 OXL 5.20833
307 5AOV NAP 5.20833
308 1YQZ FAD 5.20833
309 5JJR SAH 5.20833
310 2B4R NAD 5.20833
311 5JCA FAD 5.20833
312 5JCA NDP 5.20833
313 4BG4 ARG 5.20833
314 3LAD FAD 5.20833
315 2B4R AES 5.20833
316 5IN4 6CK 5.21978
317 5IN4 GDP 5.21978
318 5IN4 NAP 5.21978
319 1LVL NAD 5.24017
320 2YG3 FAD 5.29801
321 5L95 AMP 5.37634
322 2DBZ NAP 5.38922
323 3WV8 ATP 5.50459
324 3KO8 NAD 5.55556
325 1UDB NAD 5.55556
326 1UDB UFG 5.55556
327 1DKU AP2 5.55556
328 5AHO TLA 5.55556
329 5KOX FAD 5.55556
330 5KOX RFP 5.55556
331 5M90 JIF 5.55556
332 2QA1 FAD 5.55556
333 1BW9 NAD 5.55556
334 5JAQ NAI 5.55556
335 1C1X NAD 5.55556
336 6D6Y SAH 5.55556
337 5WGR FAD 5.55556
338 2IVD FAD 5.55556
339 3G5S FAD 5.55556
340 2I3G NAP 5.55556
341 4W6Z 8ID 5.55556
342 5U8U FAD 5.55556
343 2IID PHE 5.55556
344 2IID FAD 5.55556
345 1L7E NAI 5.55556
346 5THZ SAH 5.55556
347 3WGT FAD 5.55556
348 1RYI GOA 5.55556
349 1X7D NAD 5.55556
350 3WGT QSC 5.55556
351 1RYI FAD 5.55556
352 1X7D ORN 5.55556
353 1LUA NAP 5.57491
354 1RM4 NDP 5.63798
355 1A5Z NAD 5.64263
356 4CJX NAP 5.64263
357 4KOA NDP 5.70571
358 1LSS NAD 5.71429
359 2BKA NDP 5.78512
360 5V6F MAN BMA MAN 5.7971
361 3QH2 3NM 5.88235
362 4XQC 13D 5.89474
363 4XQC NAD 5.89474
364 4HXY NDP 5.90278
365 1RKX NAD 5.90278
366 2C29 NAP 5.90278
367 2C29 DQH 5.90278
368 2CVQ NDP 5.90278
369 1WP4 NDP 5.90278
370 1YKJ FAD 5.90278
371 1YKJ PHB 5.90278
372 2QRK AMP 5.90278
373 4JDR FAD 5.90278
374 1RM0 D6P 5.90278
375 1RM0 NAI 5.90278
376 3H9E NAD 5.90278
377 2RGJ FAD 5.90278
378 1V8B NAD 5.90278
379 2XVE FAD 5.90278
380 4YMH SAH 5.90278
381 2CVZ NDP 5.90278
382 3G2O SAM 6.02007
383 3FSY SCA 6.0241
384 2WA2 SAM 6.15942
385 1SB8 UD2 6.25
386 1SB8 NAD 6.25
387 3LU1 NAD 6.25
388 1PZG A3D 6.25
389 1X14 NAD 6.25
390 2NU8 COA 6.25
391 2DKH FAD 6.25
392 2DKH 3HB 6.25
393 1Q0H NDP 6.25
394 1Q0H FOM 6.25
395 5G3U FDA 6.25
396 5HSA FAS 6.25
397 3OND ADN 6.25
398 3OND NAD 6.25
399 4IV9 FAD 6.25
400 4D04 NAP 6.25
401 4D04 FAD 6.25
402 1D4D FAD 6.25
403 5N0J FAD 6.25
404 5G3U ITW 6.25
405 3OJO NAD 6.25
406 3G89 SAM 6.25
407 1ZQ9 SAM 6.31579
408 5CAE SIN 6.38978
409 5CAE COA 6.38978
410 3JWH SAH 6.45161
411 4BVA NDP 6.56716
412 4G5H UD7 6.59722
413 4G5H NAP 6.59722
414 1OC2 TDX 6.59722
415 1OC2 NAD 6.59722
416 3AB1 FAD 6.59722
417 1E5Q NDP 6.59722
418 1DJN ADP 6.59722
419 1GTE FAD 6.59722
420 1EZ4 NAD 6.59722
421 1JQ3 AAT 6.59722
422 1O94 ADP 6.59722
423 4KIB SAH 6.59722
424 4RDH AMP 6.59722
425 2AJH MET 6.63265
426 5T9F TYR 6.64207
427 5T9F NAP 6.64207
428 5T9E NAP 6.64207
429 5O74 GDP 6.66667
430 3HVJ 705 6.78733
431 1I36 NAP 6.81818
432 4UAA 3GK 6.84411
433 1KYQ NAD 6.93431
434 4ZRN NAD 6.94444
435 4ZRN UPG 6.94444
436 1RPN NDP 6.94444
437 1T26 GBD 6.94444
438 1T26 NAI 6.94444
439 2A92 NAI 6.94444
440 5MIT FAD 6.94444
441 5MIT NAP 6.94444
442 5ERG SAM 6.94444
443 5M67 NAD 6.94444
444 5M67 ADE 6.94444
445 5M67 3D1 6.94444
446 3TWO NDP 6.94444
447 2ZXI FAD 6.94444
448 1U3U NAD 6.94444
449 1U3U BNF 6.94444
450 2DT5 NAD 7.109
451 1LDN NAD 7.29167
452 5XNC MTA 7.29167
453 5YB7 FAD 7.29167
454 5YB7 ORN 7.29167
455 1KJ8 GAR 7.29167
456 5KVS NAP 7.29167
457 4JNA FAD 7.29167
458 2JB2 PHE 7.29167
459 2JB2 FAD 7.29167
460 4MOP 2H5 7.29167
461 3S5W FAD 7.29167
462 4J4H 1J1 7.33591
463 4J4H NAI 7.33591
464 4JK3 NAD 7.33591
465 1OMZ UD2 7.50853
466 3RGG AIR 7.54717
467 1TZD ADP 7.63636
468 4J1Q NDP 7.63889
469 4EUE NAI 7.63889
470 5UR0 NAD 7.63889
471 5N2I NAP 7.63889
472 1EBF NAD 7.63889
473 2FHE GSH 7.87037
474 4NEC SAH 7.95455
475 5XWV NDP 7.98611
476 5XWV 8H6 7.98611
477 6DNT NAD 7.98611
478 4U7W NDP 7.98611
479 5DF1 58X 7.98611
480 5DF1 NAP 7.98611
481 1D7O TCL 7.98611
482 1D7O NAD 7.98611
483 5MZI FAD 7.98611
484 5MZI FYK 7.98611
485 3BAZ NAP 7.98611
486 5Y77 FAD 7.98611
487 5KMS NAD 7.98611
488 3GCZ SAM 8.15603
489 2D2I NAP 8.1579
490 2XYQ SAH 8.19672
491 4XUC 43G 8.25688
492 4XUC SAM 8.25688
493 3KLJ FAD 8.31169
494 5BJX NAD 8.33333
495 5BJX UDP 8.33333
496 1Z45 NAD 8.33333
497 1GY8 NAD 8.33333
498 1EQ2 NAP 8.33333
499 1CF2 NAP 8.33333
500 4NTC FAD 8.33333
501 1FP1 SAH 8.60215
502 1DCP HBI 8.65385
503 6BWL NAD 8.68056
504 1V35 NAI 8.68056
505 1RJW ETF 8.68056
506 2PV7 NAD 8.68056
507 2Q0L NAP 8.68056
508 1RP0 AHZ 8.68056
509 1EK6 NAI 9.02778
510 1EK6 UPG 9.02778
511 2UYQ SAM 9.02778
512 3OA2 NAD 9.02778
513 5JY6 NAD 9.02778
514 3B20 NAD 9.14454
515 3B1J NAD 9.14454
516 3H8V ATP 9.375
517 5MDH NAD 9.375
518 4MDH NAD 9.375
519 5N6C NAD 9.375
520 4GKV NAD 9.375
521 5TOW ADN 9.375
522 5TOW NAI 9.375
523 1VM6 NAD 9.64912
524 2GN4 UD1 9.72222
525 2GN4 NDP 9.72222
526 3CIF NAD 9.72222
527 6GAR FAD 9.72222
528 3CIF G3H 9.72222
529 2GCG NDP 9.72222
530 3ORF NAD 9.96016
531 1ORR NAD 10.0694
532 1TI7 NAP 10.0694
533 2VUT NAD 10.0694
534 1YS4 NAP 10.0694
535 1O0S NAI 10.0694
536 5ZZ6 NAD 10.0962
537 5ZZ6 ADP 10.0962
538 5X2N ALA 10.1382
539 3AD8 NAD 10.3448
540 5J32 IPM 10.4167
541 3EJ0 11X 10.7143
542 6EL3 NAP 10.7639
543 1P19 IMP 10.8597
544 4YSX FAD 10.8974
545 2Q1S NAI 11.1111
546 3GFB NAD 11.1111
547 5UAV TFB 11.1111
548 5UAV NDP 11.1111
549 2R4J 13P 11.1111
550 2R4J FAD 11.1111
551 5F8F SFG 11.1111
552 5YRJ BGC GLC 11.2676
553 5YRM BGC GLC 11.2676
554 5Y1G NAD 11.4583
555 5Y1G AKB 11.4583
556 2IZ1 ATR 11.4583
557 6AA8 NAD 11.4583
558 5TUF TDC 11.4583
559 5TUF FAD 11.4583
560 1Y1P NMN AMP PO4 11.8056
561 2PZM NAD 11.8056
562 2PZM UDP 11.8056
563 3A06 NDP 11.8056
564 3A06 FOM 11.8056
565 1GAD NAD 11.8056
566 2EXX NAP 12.1528
567 5ODQ FAD 12.1528
568 3AYI HCI 12.1528
569 3AYI FAD 12.1528
570 1C3V NDP 12.2449
571 2Q1W NAD 12.5
572 2GSD NAD 12.5
573 1HYE NAP 12.5
574 1NM5 NAD 12.8079
575 4Z0H NAD 12.8472
576 3LKZ SFG 12.8472
577 4EIP FAD 12.8472
578 2QV7 ADP 12.8472
579 2X6T NAP 13.1944
580 2HK9 ATR 13.1944
581 5DN9 NAD 13.1944
582 2HK9 NAP 13.1944
583 1E7S NAP 13.5417
584 2Y6Q FAD 13.5417
585 2Y6Q I7T 13.5417
586 2NAD NAD 13.5417
587 1DLJ NAI 13.5417
588 1DLJ UGA 13.5417
589 1WMA AB3 13.8889
590 1WMA NDP 13.8889
591 4D3F NAP 13.8889
592 2HMT NAI 13.8889
593 1DSS NAD 13.8889
594 2VYN NAD 13.8889
595 2GUD MAN 13.9344
596 2NU5 NAG 13.9344
597 2GUC MAN 13.9344
598 1BKJ FMN 14.1667
599 4XYB NDP 14.2361
600 1HDR NAD 14.3443
601 3O26 NDP 14.9306
602 4XZ3 COA 14.9306
603 2OOR NAD 14.9425
604 3CH6 NAP 15.035
605 3CH6 311 15.035
606 4K26 NDP 15.2174
607 4K26 SFF 15.2174
608 5L53 NAP 15.2778
609 5L4S 6KX 15.2778
610 5L4S NAP 15.2778
611 5WP5 SAH 15.2778
612 1FMB HYB 15.3846
613 3QV1 NAD 15.8537
614 4O1M NAD 17.0139
615 2F5Z FAD 17.1875
616 1GZ6 NAI 17.7083
617 5TCI MLI 18.4028
618 4J36 FAD 18.75
619 4J36 1HR 18.75
620 2VTD LKM 19.0972
621 5OOH 9ZZ 19.4175
622 5OOH NAP 19.4175
623 3GGO ENO 19.4444
624 3GGO NAI 19.4444
625 1FK8 NAD 19.4553
626 3KIF GDL 20.7547
627 2DKN NAI 20.7843
628 5I7S E9P 21.3768
629 5I7S NAD 21.3768
630 1XSE NDP 21.6949
631 5EES NAP 21.8623
632 2Q46 NAP 25.6917
633 3HB5 NAP 26.7361
634 1A27 NAP 26.7361
635 1N5D NDP 27.7778
636 4Q9N NAI 28.1879
637 5TC4 NAD 28.4722
638 1ZBQ NAD 29.5139
639 4J7U YTZ 29.8611
640 4J7U NAP 29.8611
641 3RJ5 NAD 31.4961
642 2BD0 NAP 31.9672
643 1OAA OAA 32.0463
644 2GDZ NAD 35.9551
645 1Z6Z NAP 36.5248
646 1W8D NAP 37.7483
647 1W73 NAP 37.7483
648 4FC7 COA 38.6282
649 4FC7 NAP 38.6282
650 4D42 W0I 39.0071
651 4D42 NAP 39.0071
652 1W6U NAP 39.0728
653 2PD4 NAD 39.6364
654 2PD4 DCN 39.6364
655 3ZV6 4HB 39.8577
656 3ZV6 NAD 39.8577
657 3V1U NAD 39.9306
658 3OIG NAD 40.2256
659 5EJ2 NAD 40.625
660 6F9Q NAD 41.5441
661 1NNU NAD 41.6667
662 1NNU TCT 41.6667
663 3WXB NDP 41.9355
664 1U7T TDT 42.1456
665 1E3W NAD 42.1456
666 1U7T NAD 42.1456
667 1E6W NAD 42.6923
668 5Z2L NDP 42.8571
669 1QG6 NAD 42.9119
670 1QG6 TCL 42.9119
671 3RKR NAP 43.1298
672 5CG1 NAD BBN 43.4028
673 4OHU NAD 43.4028
674 4OHU 2TK 43.4028
675 1NFQ NAI 43.4615
676 2Q2V NAD 43.5294
677 2WYV NAD 43.6782
678 1HDC CBO 43.7008
679 3OJF NDP 43.9689
680 3OJF IMJ 43.9689
681 1YXM ADE 44.0972
682 1UZN NAP 44.1296
683 1G0N PHH 44.1696
684 1G0N NDP 44.1696
685 1X1T NAD 44.2308
686 3ICC NAP 44.3137
687 3VZS NAP 44.358
688 3VZS CAA 44.358
689 3QWI CUE 44.4444
690 3QWI NAP 44.4444
691 5OVK NDP 44.5312
692 5OVL NAP 44.7917
693 5OJI NAP 45
694 5OJI ISN 45
695 1AE1 NAP 45.0549
696 5O42 BGC 45.2555
697 5O42 9JW 45.2555
698 5O42 NAD 45.2555
699 5B4T NAD 45.3846
700 5B4T 3HR 45.3846
701 2ZAT NAP 45.3846
702 4ZA2 NAD 45.4545
703 2DTX BMA 45.8333
704 2RH4 EMO 45.8484
705 6CI9 NAP 45.9459
706 3AFN NAP 46.124
707 1ZEM NAD 46.1832
708 2CFC NAD 46.4
709 3NUG NAD 46.5587
710 1VL8 NAP 46.8165
711 3O03 NAP 46.875
712 4URF NAD 47.1774
713 3AY6 NAI 47.2119
714 3AY6 BGC 47.2119
715 1O5I NAD 47.3896
716 1ZK4 NAP 47.4104
717 1ZK4 AC0 47.4104
718 1H5Q NAP 47.5472
719 2WSB NAD 47.6378
720 2AE2 NAP 47.6923
721 2AE2 PTO 47.6923
722 1XKQ NDP 47.8571
723 2B4Q NAP 48.1884
724 1PR9 NAP 48.3607
725 3D3W NAP 48.3607
726 4QED NAP 48.7903
727 3OID NDP 48.8372
728 4NBT NAD 49.1667
729 1GEE NAD 49.4253
Pocket No.: 2; Query (leader) PDB : 5K6A; Ligand: 6QT; Similar sites found with APoc: 57
This union binding pocket(no: 2) in the query (biounit: 5k6a.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3U2U UDP 1.52091
2 4XP7 FNR 1.73611
3 3GDH MGP 2.07469
4 1ICP FMN 2.08333
5 1HYH NAD 2.08333
6 6CEP NAD 2.43056
7 1LBT T80 2.43056
8 3VP6 HLD 2.43056
9 2AOT SAH 2.43056
10 2HSA FMN 2.77778
11 4OKZ 3E9 3.47222
12 1VYP FMN 3.81944
13 1VYP TNF 3.81944
14 4ZCC FAD 3.81944
15 4J5R A1R 4.10959
16 4UXH T5A 4.34783
17 1L1Q 9DA 4.83871
18 2IVD FAD 5.55556
19 3LU1 NAD 6.25
20 2P6W FLC 6.57277
21 1M2W NAD 6.94444
22 1LJ8 NAD 6.94444
23 1LDN NAD 7.29167
24 3AI7 TPP 7.98611
25 5MDH NAD 9.375
26 1Z4O GL1 10.7639
27 5O4J SAH 14.9635
28 3CH6 NAP 15.035
29 3CH6 311 15.035
30 4K26 NDP 15.2174
31 1XSE NDP 21.6949
32 3HB5 NAP 26.7361
33 4FC7 COA 38.6282
34 4FC7 NAP 38.6282
35 3ZV6 4HB 39.8577
36 1U7T TDT 42.1456
37 1U7T NAD 42.1456
38 1NFQ NAI 43.4615
39 1HDC CBO 43.7008
40 1G0N PHH 44.1696
41 1G0N NDP 44.1696
42 3VZS CAA 44.358
43 3VZS NAP 44.358
44 5OJI ISN 45
45 2DTX BMA 45.8333
46 2RH4 EMO 45.8484
47 6CI9 NAP 45.9459
48 6CI9 F3V 45.9459
49 3NUG NAD 46.5587
50 3AY6 NAI 47.2119
51 3AY6 BGC 47.2119
52 1ZK4 NAP 47.4104
53 1ZK4 AC0 47.4104
54 2WSB NAD 47.6378
55 2AE2 PTO 47.6923
56 2AE2 NAP 47.6923
57 1GEE NAD 49.4253
Pocket No.: 3; Query (leader) PDB : 5K6A; Ligand: NAP; Similar sites found with APoc: 30
This union binding pocket(no: 3) in the query (biounit: 5k6a.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1OGX EQU None
2 5CLO NS8 None
3 1FUR MLT 2.08333
4 3WLE NAD 2.08333
5 4KFU ACP 2.35849
6 6FDF SAH 2.77778
7 4DFU QUE 3.125
8 5YAK FMN 3.47222
9 5OCQ CIT 3.50877
10 3E3U NVC 3.5533
11 4Z4P SAH 3.61446
12 1F5V FMN 3.75
13 1A99 PUT 3.81944
14 2WZV FMN 4.25532
15 5JVB 2PO 4.28571
16 5GVR LMR 4.70085
17 3TTN SPD 4.86111
18 5T85 44G 5.11628
19 1TE2 PGA 5.30973
20 1I7Q PYR 5.90278
21 2FZW NAD 6.94444
22 1LDN OXM 7.29167
23 1D1T NAD 8.68056
24 4CJN QNZ 9.02778
25 2BMB PMM 9.72222
26 4M1U A2G MBG 11.4286
27 1V47 ADX 11.8056
28 3R75 PYR 12.8472
29 2JJQ SAH 18.0556
30 4URF 1PS 47.1774
Pocket No.: 4; Query (leader) PDB : 5K6A; Ligand: 6QT; Similar sites found with APoc: 24
This union binding pocket(no: 4) in the query (biounit: 5k6a.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1YJQ NAP 1.73611
2 5JE8 NAD 2.08333
3 2XBK XBK 2.43056
4 1OPK P16 2.43056
5 3A4V NAD 3.125
6 3A4V PYR 3.125
7 1MV8 NAD 3.125
8 3ATY FMN 3.47222
9 5JFS 6K0 4.16667
10 1X54 4AD 5.20833
11 4OOP DUP 6.0241
12 2XGT NSS 6.25
13 3GYT DL4 6.94444
14 5DUS APR 7.7381
15 1OYB HBA 8
16 6IIU A8X 8.33333
17 1N1D C2G 8.52713
18 4Q9M FPP 9.7561
19 2Q1W NAD 12.5
20 4K26 SFF 15.2174
21 3RJ5 NAD 31.4961
22 1X1T NAD 44.2308
23 5B4T NAD 45.3846
24 5B4T 3HR 45.3846
Pocket No.: 5; Query (leader) PDB : 5K6A; Ligand: NAP; Similar sites found with APoc: 32
This union binding pocket(no: 5) in the query (biounit: 5k6a.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1YJQ NAP 1.73611
2 6F3M NAD 2.08333
3 6F3N ADN 2.08333
4 6F3N NAD 2.08333
5 5O9F NAD 2.43056
6 5O9F 9ON 2.43056
7 3ISO GSH 2.75229
8 3FXU TSU 2.77778
9 3L4S NAD 3.125
10 3L4S 3PG 3.125
11 154L NAG NAG NAG 3.24324
12 3UCL NAP 3.81944
13 3UCL FAD 3.81944
14 3UCL CYH 3.81944
15 1B09 PC 4.36893
16 1KOL NAD 4.51389
17 1WLJ U5P 4.7619
18 1GPJ CIT 5.90278
19 2CDC XYS 5.90278
20 2CDC NAP 5.90278
21 2CDC XYP 5.90278
22 4MP8 MLI 5.90278
23 4MP8 NAD 5.90278
24 4WOE ADP 6.25
25 4KRG SAH 6.59722
26 5TDF ADE 7.63889
27 4P83 U5P 7.69231
28 3A16 PXO 7.98611
29 3TLC 7MD 8.68056
30 1H6C NDP 9.72222
31 1RYD NDP 9.72222
32 3UN3 G16 12.1528
Pocket No.: 6; Query (leader) PDB : 5K6A; Ligand: 6QT; Similar sites found with APoc: 44
This union binding pocket(no: 6) in the query (biounit: 5k6a.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZVV GN0 2.43056
2 4ZVV NAD 2.43056
3 3ZXR IQ1 2.77778
4 3ZXR P3S 2.77778
5 4Q86 AMP 3.47222
6 2I6A 5I5 3.81944
7 2FR1 NDP 4.16667
8 2BJU IH4 4.16667
9 5G61 FNY 4.16667
10 4RHE FMN 4.30622
11 1ZPD DPX 4.51389
12 3FRK TQP 4.51389
13 4PVD NDP 4.86111
14 2Y7G AAE 7.80142
15 3B8X G4M 8.46154
16 4R5Z SIN 8.68056
17 1EK6 NAI 9.02778
18 1EK6 UPG 9.02778
19 2GN4 UD1 9.72222
20 5VW2 FDA 11.4583
21 5VW2 NAP 11.4583
22 3JUQ AKD 20
23 3JUQ AJD 20
24 3HB5 E2B 26.7361
25 4J7U NAP 29.8611
26 4J7U YTZ 29.8611
27 1W8D NAP 37.7483
28 3ZV6 NAD 39.8577
29 5Z2L NDP 42.8571
30 1QG6 NAD 42.9119
31 1QG6 TCL 42.9119
32 2Q2V NAD 43.5294
33 3QWI CUE 44.4444
34 3AI3 SOL 44.4867
35 5OJI NAP 45
36 1AE1 NAP 45.0549
37 5O42 NAD 45.2555
38 5O42 BGC 45.2555
39 5O42 9JW 45.2555
40 2ZAT NAP 45.3846
41 3AFN NAP 46.124
42 2CFC KPC 46.4
43 1XKQ NDP 47.8571
44 4QED NAP 48.7903
Pocket No.: 7; Query (leader) PDB : 5K6A; Ligand: NAP; Similar sites found with APoc: 10
This union binding pocket(no: 7) in the query (biounit: 5k6a.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5O2N FLC 1.73611
2 2GKS ADP 1.73611
3 1WK8 VMS 2.57732
4 5ZW3 SAH 3.11111
5 4BHL ARG 3.125
6 4CS9 AMP 4.2328
7 4WNP 3RJ 5.92335
8 1F4X MGS 10.1852
9 2Y69 CHD 12.8571
10 1MFI FHC 15.7895
Pocket No.: 8; Query (leader) PDB : 5K6A; Ligand: 6QT; Similar sites found with APoc: 4
This union binding pocket(no: 8) in the query (biounit: 5k6a.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6F5W KG1 0.694444
2 2C42 PYR 3.47222
3 2C42 TPP 3.47222
4 3FC4 EDO 4.16667
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