Receptor
PDB id Resolution Class Description Source Keywords
3NGC 2.25 Å EC: 1.5.3.5 COMPLEX OF 6-HYDROXY-L-NICOTINE OXIDASE WITH INTERMEDIATE METHYLMYOSMINE PRODUCT FORMED DURING CATALYTIC TURNOVER ARTHROBACTER NICOTINOVORANS ENANTHIOMERIC SUBSTRATE-INHIBITOR FLAVOENZYMES NICOTINE DEGRADATION OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE ANALYSIS OF FREE AND SUBSTRATE-BO 6-HYDROXY-L-NICOTINE OXIDASE FROM ARTHROBACTER NICOTINOVORANS. J.MOL.BIOL. V. 396 785 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD X:434;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GP7 X:435;
Invalid;
none;
submit data
673.901 C36 H68 N O8 P CCCCC...
HNH X:436;
Valid;
none;
submit data
176.215 C10 H12 N2 O CN1CC...
HNL X:433;
Valid;
none;
submit data
178.231 C10 H14 N2 O C[N@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K7M 1.95 Å EC: 1.5.3.5 CRYSTAL STRUCTURE OF 6-HYDROXY-L-NICOTINE OXIDASE FROM ARTHR NICOTINOVORANS ARTHROBACTER NICOTINOVORANS ENANTIOMERIC SUBSTRATES FLAVOENZYMES NICOTINE DEGRADATIONOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE ANALYSIS OF FREE AND SUBSTRATE-BO 6-HYDROXY-L-NICOTINE OXIDASE FROM ARTHROBACTER NICOTINOVORANS. J.MOL.BIOL. V. 396 785 2010
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NH3 - HNL C10 H14 N2 O C[N@@]1CCC....
2 3NGC - HNH C10 H12 N2 O CN1CCC=C1c....
3 3K7M - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3NK1 - SRO C10 H12 N2 O c1cc2c(cc1....
5 3K7Q - HNL C10 H14 N2 O C[N@@]1CCC....
6 3NN6 - HNK C10 H14 N2 O C[N@]1CCC[....
7 3NK0 - HNK C10 H14 N2 O C[N@]1CCC[....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NH3 - HNL C10 H14 N2 O C[N@@]1CCC....
2 3NGC - HNH C10 H12 N2 O CN1CCC=C1c....
3 3K7M - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3NK1 - SRO C10 H12 N2 O c1cc2c(cc1....
5 3K7Q - HNL C10 H14 N2 O C[N@@]1CCC....
6 3NN6 - HNK C10 H14 N2 O C[N@]1CCC[....
7 3NK0 - HNK C10 H14 N2 O C[N@]1CCC[....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3NH3 - HNL C10 H14 N2 O C[N@@]1CCC....
2 3NGC - HNH C10 H12 N2 O CN1CCC=C1c....
3 3K7M - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3NK1 - SRO C10 H12 N2 O c1cc2c(cc1....
5 3K7Q - HNL C10 H14 N2 O C[N@@]1CCC....
6 3NN6 - HNK C10 H14 N2 O C[N@]1CCC[....
7 3NK0 - HNK C10 H14 N2 O C[N@]1CCC[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FAD; Similar ligands found: 147
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 UBG 0.845588 0.987654
6 6FA 0.794118 0.987654
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 JNT 0.598425 0.876543
12 FAJ 0.57485 0.97561
13 62F 0.572327 0.939024
14 F2N 0.566265 0.886364
15 FMN 0.543307 0.876543
16 FA9 0.526316 0.939759
17 6YU 0.516304 0.860215
18 CNV FAD 0.511905 0.908046
19 P6G FDA 0.511628 0.908046
20 FAD NBT 0.508876 0.83871
21 A2D 0.504065 0.875
22 DAL FAD PER 0.491429 0.836957
23 P5F 0.491329 0.941176
24 FAD CNX 0.488506 0.8125
25 APR 0.488372 0.851852
26 AR6 0.488372 0.851852
27 FAD T2C 0.485876 0.819149
28 AGS 0.484615 0.811765
29 M33 0.484375 0.864198
30 BA3 0.484127 0.875
31 ATP 0.48062 0.851852
32 HEJ 0.48062 0.851852
33 B4P 0.480315 0.875
34 ADP 0.480315 0.851852
35 AP5 0.480315 0.875
36 ANP 0.477273 0.831325
37 5FA 0.476923 0.851852
38 AQP 0.476923 0.851852
39 48N 0.469388 0.902439
40 OAD 0.467626 0.876543
41 9X8 0.467626 0.833333
42 FAD NBA 0.467033 0.793814
43 GTA 0.465753 0.892857
44 AT4 0.465116 0.821429
45 AN2 0.465116 0.841463
46 HQG 0.463235 0.841463
47 AD9 0.462121 0.831325
48 3OD 0.460993 0.876543
49 RBF 0.460938 0.790123
50 FB0 0.460606 0.835165
51 139 0.460526 0.858824
52 AP0 0.46 0.835294
53 A22 0.459854 0.864198
54 ACP 0.458015 0.853659
55 8QN 0.456522 0.864198
56 PRX 0.454545 0.831325
57 A3R 0.453237 0.86747
58 A1R 0.453237 0.86747
59 G3A 0.452055 0.902439
60 T5A 0.45098 0.872093
61 G5P 0.44898 0.902439
62 ATF 0.448529 0.821429
63 50T 0.44697 0.819277
64 OZV 0.446043 0.851852
65 6YZ 0.445255 0.853659
66 ACQ 0.444444 0.853659
67 ADQ 0.442857 0.853659
68 PAJ 0.442857 0.847059
69 KMQ 0.441379 0.843373
70 8LE 0.441176 0.855422
71 5AL 0.441176 0.864198
72 ADX 0.439394 0.775281
73 CA0 0.439394 0.853659
74 8LQ 0.438849 0.865854
75 QA7 0.438849 0.855422
76 A4P 0.437909 0.831461
77 25L 0.4375 0.864198
78 P33 FDA 0.436464 0.817204
79 KG4 0.43609 0.853659
80 5SV 0.435714 0.793103
81 8LH 0.434783 0.843373
82 OMR 0.434211 0.818182
83 TXE 0.434211 0.890244
84 45A 0.434109 0.829268
85 ABM 0.434109 0.829268
86 AMP 0.433071 0.82716
87 A 0.433071 0.82716
88 4AD 0.432624 0.855422
89 ADJ 0.432258 0.818182
90 B5M 0.431507 0.878049
91 B5Y 0.431507 0.878049
92 BIS 0.430556 0.802326
93 DJC FAD 0.43 0.827957
94 SRA 0.429688 0.788235
95 AFH 0.42953 0.825581
96 DND 0.427632 0.865854
97 TXD 0.427632 0.890244
98 UP5 0.427632 0.878049
99 6V0 0.427632 0.857143
100 DQV 0.426667 0.8875
101 SRP 0.42446 0.843373
102 PR8 0.423611 0.837209
103 TAT 0.423358 0.821429
104 T99 0.423358 0.821429
105 AMO 0.422535 0.865854
106 PTJ 0.42069 0.835294
107 TXA 0.42069 0.865854
108 FYA 0.42069 0.864198
109 CNA 0.420382 0.865854
110 AHX 0.41958 0.835294
111 00A 0.41958 0.823529
112 AMP MG 0.418605 0.814815
113 MAP 0.41844 0.811765
114 NAI 0.418301 0.845238
115 AU1 0.41791 0.831325
116 A12 0.416667 0.843373
117 AP2 0.416667 0.843373
118 9ZD 0.415493 0.845238
119 25A 0.415493 0.851852
120 9ZA 0.415493 0.845238
121 COD 0.415094 0.842697
122 4TC 0.412903 0.879518
123 APC 0.411765 0.843373
124 ME8 0.410959 0.806818
125 1ZZ 0.410959 0.806818
126 NB8 0.410959 0.835294
127 ADP BEF 0.410448 0.82716
128 ADP MG 0.410448 0.82716
129 DJ0 FAD 0.41 0.865169
130 4UW 0.409091 0.825581
131 NAX 0.409091 0.837209
132 F2R 0.408805 0.850575
133 ADV 0.408759 0.843373
134 RBY 0.408759 0.843373
135 VO4 ADP 0.407143 0.809524
136 P1H 0.405882 0.818182
137 BEF ADP 0.405797 0.807229
138 OOB 0.405594 0.864198
139 LAD 0.40411 0.825581
140 UPA 0.403846 0.86747
141 4UU 0.401316 0.833333
142 GA7 0.401316 0.865854
143 A3D 0.401235 0.876543
144 80F 0.401235 0.808989
145 DLL 0.4 0.864198
146 XAH 0.4 0.806818
147 V2G 0.4 0.857143
Ligand no: 2; Ligand: HNH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HNH 1 1
Ligand no: 3; Ligand: HNL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HNK 1 1
2 HNL 1 1
3 NCT 0.530612 0.804348
Similar Ligands (3D)
Ligand no: 1; Ligand: FAD; Similar ligands found: 1
No: Ligand Similarity coefficient
1 FDA T2C 0.8610
Ligand no: 2; Ligand: HNH; Similar ligands found: 511
No: Ligand Similarity coefficient
1 1Z6 0.9864
2 KTJ 0.9862
3 HNL 0.9842
4 HNK 0.9794
5 BNL 0.9769
6 CPZ 0.9751
7 MSR 0.9745
8 A5E 0.9735
9 JF6 0.9730
10 50C 0.9703
11 SNU 0.9685
12 GVG 0.9674
13 PH3 0.9639
14 TZF 0.9598
15 NCT 0.9586
16 HX4 0.9560
17 SQ4 0.9558
18 C1M 0.9536
19 SV4 0.9534
20 AOT 0.9526
21 F4K 0.9509
22 92G 0.9499
23 JRB 0.9498
24 TT4 0.9485
25 HL4 0.9464
26 L13 0.9462
27 1WC 0.9452
28 7VP 0.9445
29 A9P 0.9440
30 46P 0.9434
31 HHH 0.9434
32 36Y 0.9411
33 4PN 0.9409
34 XDK 0.9406
35 K80 0.9405
36 0NX 0.9404
37 PIY 0.9394
38 PIM 0.9394
39 TYE 0.9385
40 1XA 0.9371
41 80G 0.9371
42 TYR 0.9362
43 CH9 0.9361
44 0BP 0.9359
45 BPY 0.9336
46 JAH 0.9329
47 W29 0.9314
48 PHE 0.9312
49 TYL 0.9308
50 X48 0.9303
51 4BF 0.9302
52 BP3 0.9300
53 1A5 0.9297
54 HF2 0.9295
55 4LV 0.9291
56 BRH 0.9291
57 DPN 0.9287
58 B2Y 0.9287
59 FMQ 0.9285
60 PJW 0.9279
61 OTR 0.9279
62 EN1 0.9277
63 N2Z 0.9271
64 CK2 0.9270
65 MPK 0.9269
66 BP7 0.9268
67 DC5 0.9268
68 A4N 0.9261
69 SHI 0.9260
70 4LW 0.9259
71 173 0.9257
72 DTY 0.9254
73 TIH 0.9250
74 FHC 0.9244
75 HDH 0.9243
76 RA7 0.9237
77 1A7 0.9234
78 52C 0.9232
79 2F6 0.9227
80 F4E 0.9227
81 TYC 0.9222
82 J9N 0.9216
83 5VL 0.9215
84 2QC 0.9214
85 NFA 0.9211
86 J9Q 0.9209
87 6SD 0.9206
88 HJH 0.9200
89 HFA 0.9200
90 BCK 0.9198
91 A9O 0.9197
92 R2P 0.9194
93 B3U 0.9192
94 61M 0.9186
95 A4T 0.9184
96 8OZ 0.9177
97 A9K 0.9173
98 54E 0.9173
99 A7K 0.9173
100 FZM 0.9172
101 ENO 0.9163
102 HIC 0.9154
103 KDG 0.9153
104 HIS 0.9152
105 K7M 0.9150
106 PFF 0.9145
107 PPY 0.9145
108 2B4 0.9141
109 DHI 0.9140
110 HHI 0.9140
111 F69 0.9140
112 GT4 0.9138
113 R20 0.9137
114 ODO 0.9136
115 AEG 0.9136
116 MPV 0.9135
117 492 0.9126
118 N3W 0.9126
119 9FH 0.9123
120 C53 0.9120
121 6HO 0.9120
122 SWX 0.9117
123 GZQ 0.9113
124 1KN 0.9108
125 56D 0.9105
126 CK1 0.9103
127 S2P 0.9102
128 RUY 0.9101
129 QUS 0.9101
130 T2D 0.9100
131 OQC 0.9100
132 E3X 0.9099
133 ICB 0.9097
134 LFC 0.9095
135 L5V 0.9092
136 1L5 0.9081
137 LNR 0.9080
138 KYN 0.9075
139 C82 0.9072
140 6FZ 0.9067
141 PQS 0.9062
142 L15 0.9060
143 49O 0.9057
144 I3E 0.9054
145 M3H 0.9049
146 4HP 0.9048
147 ODK 0.9047
148 XCG 0.9046
149 SQP 0.9044
150 6HX 0.9042
151 MMS 0.9040
152 A29 0.9040
153 TZM 0.9038
154 YZM 0.9036
155 HWD 0.9035
156 BZE 0.9034
157 6ZX 0.9030
158 SQ7 0.9030
159 OGA 0.9030
160 GWM 0.9029
161 92K 0.9029
162 ISZ 0.9024
163 2UB 0.9020
164 XRS 0.9018
165 3C4 0.9017
166 EQW 0.9012
167 DCZ 0.9010
168 8D6 0.9007
169 GZ2 0.9007
170 1BN 0.9005
171 A4Q 0.9004
172 HC4 0.9004
173 B40 0.9000
174 DUR 0.8999
175 AMQ 0.8998
176 PO6 0.8997
177 SOR 0.8996
178 Q06 0.8996
179 DAH 0.8994
180 6J9 0.8993
181 SOJ 0.8993
182 N9J 0.8988
183 23J 0.8983
184 2BX 0.8980
185 OOG 0.8980
186 LLH 0.8976
187 363 0.8976
188 LJ3 0.8975
189 MOK 0.8974
190 7Q1 0.8972
191 L99 0.8968
192 TJM 0.8966
193 C0H 0.8964
194 6P3 0.8963
195 M6H 0.8961
196 K34 0.8959
197 4V2 0.8958
198 ZZA 0.8955
199 9UL 0.8954
200 6J5 0.8950
201 N8Z 0.8950
202 AWE 0.8948
203 7O4 0.8947
204 HQJ 0.8946
205 3VW 0.8946
206 6TZ 0.8944
207 9FG 0.8942
208 97T 0.8939
209 SNV 0.8939
210 7QS 0.8938
211 FCD 0.8935
212 AHN 0.8935
213 HXY 0.8934
214 5NI 0.8930
215 FTV 0.8929
216 36E 0.8927
217 F16 0.8926
218 7UZ 0.8926
219 B4O 0.8925
220 BP6 0.8924
221 GRO 0.8920
222 26C 0.8920
223 IWT 0.8918
224 GLN 0.8916
225 1FD 0.8913
226 SYM 0.8912
227 IPO 0.8911
228 YOF 0.8911
229 G14 0.8910
230 DIR 0.8907
231 9RW 0.8907
232 2FY 0.8907
233 M5E 0.8904
234 E0O 0.8902
235 I1E 0.8901
236 TOH 0.8897
237 CS2 0.8894
238 VC3 0.8893
239 MTL 0.8892
240 AMS 0.8891
241 DHY 0.8891
242 PHI 0.8891
243 SMN 0.8889
244 GVY 0.8889
245 DAL DAL 0.8887
246 9W5 0.8886
247 FWD 0.8886
248 KF5 0.8885
249 AMH 0.8884
250 0A9 0.8884
251 TMG 0.8882
252 ERZ 0.8879
253 1F1 0.8879
254 TB8 0.8878
255 1VK 0.8876
256 BZ2 0.8873
257 B1J 0.8869
258 Z70 0.8868
259 CTN 0.8868
260 AKG 0.8867
261 M3E 0.8865
262 4VY 0.8863
263 URI 0.8863
264 CWD 0.8861
265 WOE 0.8861
266 SAF 0.8861
267 152 0.8856
268 JZA 0.8854
269 DDU 0.8854
270 J27 0.8854
271 A4B 0.8852
272 IWD 0.8851
273 KLE 0.8850
274 HPP 0.8850
275 977 0.8850
276 BPS 0.8846
277 AVI 0.8844
278 6NI 0.8843
279 AU8 0.8843
280 URD 0.8843
281 DGN 0.8842
282 TCA 0.8841
283 GNW 0.8840
284 CLU 0.8840
285 CP6 0.8840
286 R9J 0.8840
287 GLU 0.8840
288 UN1 0.8838
289 PHU 0.8837
290 5LA 0.8837
291 PAC 0.8836
292 ESX 0.8835
293 URO 0.8834
294 S0G 0.8834
295 3VS 0.8834
296 CTD 0.8832
297 FBM 0.8831
298 5AE 0.8829
299 QBS 0.8826
300 3QM 0.8825
301 IYR 0.8825
302 88L 0.8823
303 GJZ 0.8822
304 FPL 0.8822
305 BWD 0.8822
306 5O6 0.8822
307 HX8 0.8820
308 TSU 0.8819
309 CH8 0.8815
310 LVD 0.8812
311 ALA ALA 0.8812
312 BHO 0.8812
313 PTU 0.8809
314 P81 0.8807
315 BBY 0.8805
316 16Z 0.8805
317 7R4 0.8802
318 QY9 0.8802
319 DE5 0.8800
320 JPQ 0.8799
321 THU 0.8797
322 3QO 0.8796
323 NIZ 0.8793
324 F9P 0.8793
325 CC5 0.8792
326 ALE 0.8791
327 XIZ 0.8791
328 7ZL 0.8790
329 AAN 0.8790
330 ESP 0.8789
331 4NB 0.8789
332 ISA 0.8788
333 HCI 0.8788
334 MJ5 0.8788
335 AVJ 0.8787
336 TRP 0.8787
337 S2G 0.8786
338 8U3 0.8784
339 SOV 0.8784
340 AX3 0.8777
341 4FP 0.8775
342 DHC 0.8773
343 9ZE 0.8772
344 4I8 0.8772
345 HBD 0.8771
346 LOT 0.8771
347 PIR 0.8770
348 61O 0.8770
349 2JM 0.8769
350 4BY 0.8768
351 HPS 0.8768
352 KMY 0.8768
353 OBP 0.8765
354 6KT 0.8764
355 UA5 0.8762
356 ONR 0.8761
357 PQM 0.8761
358 QMP 0.8760
359 0QW 0.8759
360 L22 0.8759
361 SAN 0.8759
362 A3M 0.8755
363 791 0.8754
364 C2M 0.8754
365 1CY 0.8752
366 1FF 0.8751
367 TGX 0.8750
368 CP7 0.8750
369 5H6 0.8748
370 DE3 0.8748
371 ANN 0.8748
372 5TT 0.8745
373 I4B 0.8745
374 4CF 0.8744
375 S0E 0.8743
376 2AL 0.8742
377 L14 0.8742
378 1Z8 0.8742
379 1X4 0.8739
380 4J8 0.8739
381 DNB 0.8738
382 Y4L 0.8737
383 YRL 0.8736
384 DTR 0.8735
385 S0D 0.8734
386 P7Y 0.8734
387 J6W 0.8734
388 AP4 0.8734
389 2HG 0.8734
390 KBZ 0.8733
391 BVA 0.8733
392 M4S 0.8732
393 NAG 0.8732
394 89J 0.8731
395 HSO 0.8729
396 3ZB 0.8729
397 HBO 0.8728
398 E4P 0.8728
399 ZEB 0.8727
400 B2T 0.8727
401 FBS 0.8724
402 ID2 0.8722
403 0JD 0.8721
404 GCO 0.8720
405 Q04 0.8720
406 CXH 0.8720
407 4XF 0.8719
408 XRX 0.8718
409 B85 0.8718
410 QME 0.8718
411 EVF 0.8716
412 8NX 0.8716
413 9RH 0.8712
414 FCR 0.8708
415 APG 0.8707
416 GLO 0.8705
417 X0U 0.8705
418 EXD 0.8704
419 BNF 0.8701
420 I5A 0.8699
421 3YP 0.8698
422 PHB 0.8696
423 THM 0.8696
424 P80 0.8696
425 3VX 0.8695
426 15N 0.8695
427 4NP 0.8693
428 CFA 0.8692
429 OA1 0.8692
430 2FT 0.8691
431 X0V 0.8690
432 4FA 0.8689
433 RKN 0.8689
434 SN4 0.8688
435 N1E 0.8688
436 2TU 0.8687
437 N2Y 0.8686
438 SNO 0.8685
439 TYU 0.8685
440 EGR 0.8685
441 IAC 0.8684
442 EAT 0.8672
443 AUT 0.8671
444 DHZ 0.8670
445 4Z3 0.8668
446 URS 0.8666
447 2LT 0.8664
448 AAS 0.8663
449 428 0.8662
450 MAJ 0.8661
451 28A 0.8660
452 78U 0.8659
453 5BT 0.8654
454 7MU 0.8653
455 FF3 0.8652
456 9H2 0.8649
457 6XI 0.8646
458 4NC 0.8643
459 RKV 0.8640
460 F06 0.8640
461 42R 0.8637
462 BY5 0.8637
463 GFE 0.8637
464 4FH 0.8634
465 9PL 0.8631
466 8UY 0.8631
467 1PS 0.8631
468 54Z 0.8629
469 SYC 0.8627
470 41K 0.8626
471 9R5 0.8625
472 HJ8 0.8625
473 AMR 0.8625
474 A8Q 0.8623
475 5AD 0.8621
476 LYS 0.8620
477 MIL 0.8620
478 069 0.8617
479 4NS 0.8616
480 DGL 0.8612
481 92P 0.8611
482 72E 0.8610
483 KLS 0.8609
484 ASC 0.8604
485 4JC 0.8600
486 8WO 0.8600
487 GEO 0.8600
488 A6H 0.8599
489 3AE 0.8597
490 U2Z 0.8593
491 Q03 0.8590
492 A7N 0.8588
493 L1T 0.8586
494 BTM 0.8583
495 EOU 0.8583
496 4SX 0.8583
497 PRA 0.8583
498 4MP 0.8583
499 IFP 0.8574
500 TZL 0.8572
501 AEF 0.8571
502 5UD 0.8570
503 4NZ 0.8566
504 MAH 0.8565
505 ADN 0.8561
506 449 0.8560
507 AVA 0.8552
508 PMF 0.8551
509 PBQ 0.8548
510 SD4 0.8536
511 CCU 0.8529
Ligand no: 3; Ligand: HNL; Similar ligands found: 671
No: Ligand Similarity coefficient
1 HNH 0.9842
2 KTJ 0.9789
3 1Z6 0.9763
4 L13 0.9642
5 MSR 0.9617
6 GVG 0.9615
7 JF6 0.9614
8 50C 0.9587
9 CPZ 0.9565
10 HHH 0.9563
11 A5E 0.9555
12 JRB 0.9543
13 4PN 0.9542
14 BNL 0.9538
15 ENO 0.9514
16 SNU 0.9496
17 AOT 0.9483
18 CH9 0.9478
19 M3H 0.9477
20 HNM 0.9475
21 DTY 0.9455
22 1XA 0.9447
23 TT4 0.9447
24 36Y 0.9446
25 A9P 0.9444
26 1A7 0.9443
27 7VP 0.9435
28 PH3 0.9432
29 PFF 0.9431
30 HX4 0.9430
31 PIM 0.9420
32 TYR 0.9420
33 SQ4 0.9411
34 K80 0.9410
35 SHI 0.9401
36 PIY 0.9398
37 XDK 0.9397
38 J9N 0.9386
39 TZF 0.9386
40 PHE 0.9381
41 92G 0.9373
42 DPN 0.9371
43 MPK 0.9369
44 B3U 0.9368
45 SV4 0.9356
46 NFA 0.9353
47 0NX 0.9351
48 BRH 0.9348
49 TYC 0.9347
50 EN1 0.9346
51 PJW 0.9345
52 HF2 0.9345
53 QUS 0.9344
54 HIS 0.9339
55 FTV 0.9327
56 OTR 0.9327
57 FHC 0.9320
58 TYL 0.9318
59 HIC 0.9313
60 F4K 0.9313
61 46P 0.9307
62 S2P 0.9306
63 PPY 0.9297
64 J9Q 0.9295
65 N2Z 0.9289
66 1WC 0.9288
67 4LW 0.9287
68 W29 0.9287
69 HL4 0.9285
70 3QM 0.9284
71 TIH 0.9280
72 CK2 0.9278
73 173 0.9270
74 BPY 0.9270
75 B40 0.9267
76 TYE 0.9266
77 2F6 0.9264
78 RA7 0.9263
79 RUY 0.9262
80 492 0.9261
81 JAH 0.9261
82 B2Y 0.9260
83 M6H 0.9255
84 M5E 0.9254
85 4HP 0.9254
86 A7K 0.9254
87 HWD 0.9249
88 HFA 0.9248
89 C1M 0.9244
90 SQ7 0.9240
91 56D 0.9237
92 C53 0.9234
93 0BP 0.9230
94 4LV 0.9227
95 KDG 0.9223
96 X48 0.9222
97 GVY 0.9221
98 9W5 0.9220
99 80G 0.9220
100 QBS 0.9218
101 HDH 0.9217
102 4BF 0.9216
103 HJH 0.9216
104 R2P 0.9213
105 MPV 0.9212
106 R20 0.9212
107 A29 0.9209
108 HHI 0.9208
109 2UB 0.9205
110 LNR 0.9205
111 SMN 0.9202
112 1L5 0.9200
113 SWX 0.9190
114 GWM 0.9183
115 1KN 0.9181
116 AMQ 0.9180
117 6SD 0.9171
118 PHI 0.9170
119 1VK 0.9170
120 GT4 0.9169
121 SOR 0.9169
122 X11 0.9167
123 5VL 0.9164
124 3LR 0.9163
125 HQJ 0.9162
126 CK1 0.9159
127 BP3 0.9157
128 K7M 0.9156
129 EQW 0.9155
130 TZM 0.9155
131 AEG 0.9154
132 9FH 0.9154
133 3CR 0.9152
134 23J 0.9151
135 FMQ 0.9150
136 E0O 0.9150
137 6HX 0.9148
138 DAH 0.9147
139 N2Y 0.9145
140 9RW 0.9142
141 BCK 0.9141
142 DEW 0.9135
143 6HO 0.9135
144 F4E 0.9134
145 1BN 0.9133
146 BZE 0.9131
147 363 0.9130
148 LLH 0.9130
149 T2D 0.9127
150 X0U 0.9126
151 N3W 0.9125
152 2QC 0.9124
153 92K 0.9123
154 MMS 0.9122
155 M45 0.9119
156 DHI 0.9113
157 GZ2 0.9112
158 DDU 0.9111
159 97T 0.9110
160 ESP 0.9108
161 BZ2 0.9107
162 A4N 0.9102
163 HC4 0.9101
164 3VW 0.9097
165 TGX 0.9097
166 YZM 0.9093
167 1F1 0.9092
168 0A9 0.9091
169 3QO 0.9090
170 L5V 0.9088
171 P58 0.9086
172 DC5 0.9086
173 ODK 0.9085
174 61M 0.9081
175 K34 0.9080
176 GZQ 0.9079
177 A9O 0.9078
178 C0H 0.9077
179 3C4 0.9075
180 G14 0.9075
181 RMN 0.9075
182 BP7 0.9073
183 6FZ 0.9072
184 7O4 0.9071
185 E3X 0.9070
186 ODO 0.9068
187 FCD 0.9067
188 PO6 0.9064
189 8D6 0.9061
190 L99 0.9059
191 PCS 0.9059
192 SAF 0.9059
193 GRO 0.9057
194 DHC 0.9057
195 MXD 0.9055
196 4ZD 0.9053
197 2B4 0.9053
198 F16 0.9053
199 9R5 0.9052
200 YIE 0.9048
201 TB8 0.9048
202 54E 0.9047
203 D3G 0.9046
204 2BX 0.9046
205 4P5 0.9046
206 BP6 0.9045
207 DIR 0.9044
208 AVI 0.9044
209 SAN 0.9043
210 CFI 0.9042
211 6KT 0.9042
212 A6H 0.9042
213 9UL 0.9041
214 TSU 0.9041
215 52C 0.9040
216 HXY 0.9037
217 PHU 0.9033
218 ZZA 0.9033
219 5WZ 0.9031
220 4V2 0.9031
221 XCG 0.9027
222 IWD 0.9026
223 THU 0.9025
224 A4T 0.9024
225 HCI 0.9022
226 152 0.9022
227 5AE 0.9021
228 ERZ 0.9021
229 FWD 0.9021
230 ANN 0.9021
231 F69 0.9018
232 7Q1 0.9018
233 7QS 0.9018
234 0QW 0.9016
235 CWD 0.9016
236 JGB 0.9015
237 36M 0.9015
238 8OZ 0.9015
239 SYM 0.9014
240 KYN 0.9011
241 APG 0.9009
242 J6W 0.9006
243 TOH 0.9005
244 OGA 0.9005
245 6TZ 0.9005
246 AKG 0.9004
247 DHY 0.9001
248 L15 0.9000
249 A9K 0.8998
250 428 0.8996
251 9FG 0.8995
252 UN1 0.8994
253 OOG 0.8990
254 FZM 0.8989
255 P81 0.8988
256 ARG 0.8984
257 HBO 0.8983
258 C82 0.8983
259 0F9 0.8982
260 791 0.8981
261 2HG 0.8981
262 3VQ 0.8978
263 SNV 0.8977
264 YOF 0.8977
265 CXP 0.8976
266 URI 0.8975
267 I3E 0.8974
268 I5A 0.8971
269 JDN 0.8971
270 MOK 0.8970
271 5NI 0.8970
272 BWD 0.8969
273 IYR 0.8967
274 OQC 0.8966
275 FK8 0.8966
276 HX8 0.8966
277 DUR 0.8964
278 B21 0.8963
279 EXD 0.8961
280 F9P 0.8960
281 2PV 0.8959
282 0JD 0.8959
283 BHO 0.8959
284 AMS 0.8958
285 PF1 0.8957
286 DCZ 0.8956
287 DE3 0.8955
288 ICB 0.8955
289 0A1 0.8954
290 MES 0.8954
291 6J9 0.8952
292 1FD 0.8952
293 CLU 0.8951
294 BQ2 0.8950
295 P7Y 0.8949
296 A3M 0.8949
297 BZQ 0.8948
298 Z70 0.8947
299 KTA 0.8946
300 2HC 0.8946
301 49O 0.8945
302 6J5 0.8945
303 SQP 0.8944
304 4J8 0.8944
305 DAL DAL 0.8942
306 CFA 0.8941
307 7UZ 0.8941
308 2PK 0.8941
309 AAN 0.8939
310 GNW 0.8939
311 TCA 0.8939
312 PHB 0.8939
313 QY9 0.8938
314 33S 0.8936
315 6NI 0.8935
316 ISZ 0.8934
317 TZP 0.8933
318 PAC 0.8933
319 CTN 0.8932
320 FCR 0.8930
321 Q06 0.8929
322 NIZ 0.8928
323 B1J 0.8928
324 AC6 0.8927
325 CS2 0.8927
326 FPL 0.8927
327 MTL 0.8926
328 JB8 0.8925
329 TMG 0.8923
330 HGA 0.8923
331 PIR 0.8923
332 XRS 0.8922
333 ISA 0.8921
334 B41 0.8921
335 DI6 0.8920
336 36E 0.8920
337 I2E 0.8919
338 N9J 0.8918
339 6ZX 0.8918
340 HBD 0.8917
341 2FY 0.8917
342 4VY 0.8917
343 7ZL 0.8916
344 7OD 0.8915
345 3VX 0.8915
346 URO 0.8914
347 AMH 0.8913
348 XIZ 0.8912
349 4I8 0.8912
350 2TU 0.8910
351 HA5 0.8907
352 M3E 0.8906
353 LDC 0.8905
354 M4S 0.8905
355 S0E 0.8905
356 54F 0.8904
357 LGT 0.8903
358 YF3 0.8903
359 GLU 0.8901
360 NPO 0.8897
361 PBZ 0.8897
362 FEH 0.8897
363 AHN 0.8897
364 H4E 0.8895
365 4FP 0.8895
366 MJ5 0.8892
367 86L 0.8890
368 I1E 0.8887
369 HPP 0.8886
370 EVF 0.8886
371 Z5P 0.8885
372 GCO 0.8885
373 UA5 0.8885
374 0OL 0.8884
375 15N 0.8881
376 PQS 0.8880
377 2FT 0.8880
378 4HB 0.8880
379 FUD 0.8877
380 M1Z 0.8876
381 GLO 0.8874
382 FBM 0.8874
383 L14 0.8874
384 BTM 0.8874
385 S7A 0.8873
386 ALE 0.8871
387 XDE 0.8871
388 HSO 0.8871
389 VC3 0.8870
390 B4O 0.8864
391 CCU 0.8864
392 GLN 0.8861
393 A4Q 0.8861
394 LL1 0.8859
395 BPS 0.8858
396 EYV 0.8857
397 Y4L 0.8856
398 AAS 0.8855
399 4SX 0.8855
400 KLE 0.8854
401 B09 0.8853
402 LJ3 0.8853
403 4JC 0.8853
404 1M2 0.8852
405 CH8 0.8852
406 IC9 0.8851
407 EGR 0.8850
408 DHB 0.8848
409 88L 0.8848
410 069 0.8848
411 AHC 0.8848
412 8WO 0.8847
413 SW7 0.8847
414 4XF 0.8847
415 HPS 0.8847
416 PPT 0.8847
417 8U3 0.8847
418 PUE 0.8843
419 WOE 0.8842
420 SHA 0.8842
421 268 0.8839
422 URD 0.8839
423 IAC 0.8838
424 CXH 0.8838
425 MAJ 0.8838
426 LL2 0.8838
427 8NX 0.8837
428 FBS 0.8836
429 VXX 0.8835
430 RQD 0.8835
431 2C2 0.8835
432 ZEB 0.8835
433 9B3 0.8835
434 KF5 0.8835
435 977 0.8833
436 PTU 0.8833
437 7R4 0.8831
438 9ZE 0.8830
439 DHZ 0.8830
440 EAT 0.8830
441 MP5 0.8829
442 MS9 0.8829
443 CTD 0.8827
444 DTR 0.8827
445 S0G 0.8826
446 2O6 0.8825
447 BNF 0.8824
448 RKV 0.8820
449 EKZ 0.8819
450 SOL 0.8816
451 TYU 0.8816
452 41K 0.8815
453 FF3 0.8815
454 JMG 0.8815
455 CC5 0.8814
456 DZA 0.8814
457 SD4 0.8813
458 S0W 0.8813
459 OA1 0.8812
460 4NS 0.8811
461 P80 0.8810
462 5QY 0.8809
463 16Z 0.8809
464 K4V 0.8809
465 3YP 0.8808
466 7MX 0.8808
467 S2G 0.8808
468 OHP 0.8808
469 2JM 0.8806
470 ATX 0.8805
471 TPA 0.8805
472 GAE 0.8804
473 NFM 0.8803
474 GJP 0.8802
475 Q03 0.8802
476 4CF 0.8801
477 X0V 0.8799
478 Q02 0.8798
479 AP4 0.8798
480 B85 0.8796
481 4NC 0.8796
482 R9J 0.8793
483 THM 0.8793
484 1CY 0.8791
485 JZA 0.8789
486 2IT 0.8789
487 GGL 0.8789
488 GJZ 0.8788
489 ONR 0.8786
490 TRP 0.8786
491 EYJ 0.8786
492 6P3 0.8785
493 AU8 0.8783
494 5AD 0.8782
495 S24 0.8782
496 YRL 0.8781
497 FF2 0.8780
498 IOS 0.8780
499 YPN 0.8780
500 Q04 0.8780
501 QMP 0.8778
502 1Z8 0.8776
503 4FA 0.8775
504 4NP 0.8774
505 26C 0.8774
506 11X 0.8773
507 LVD 0.8772
508 IFP 0.8771
509 SYC 0.8769
510 94W 0.8768
511 9RH 0.8767
512 J9T 0.8766
513 RAT 0.8765
514 BVA 0.8765
515 RNO 0.8764
516 O45 0.8764
517 PRA 0.8764
518 2LT 0.8762
519 PBA 0.8761
520 IOP 0.8759
521 B2T 0.8759
522 TLM 0.8759
523 N1E 0.8758
524 LTT 0.8757
525 TOM 0.8757
526 MXN 0.8756
527 DGN 0.8755
528 258 0.8753
529 PMF 0.8753
530 HJ8 0.8752
531 795 0.8751
532 9PL 0.8748
533 SEP 0.8746
534 AWE 0.8746
535 MCY 0.8745
536 1X4 0.8744
537 BSA 0.8743
538 2BG 0.8739
539 TSR 0.8738
540 ID2 0.8737
541 AMR 0.8736
542 3B4 0.8735
543 DGL 0.8735
544 URS 0.8734
545 A5Q 0.8733
546 2D2 0.8733
547 89J 0.8730
548 9SE 0.8729
549 SNO 0.8728
550 3TC 0.8725
551 92P 0.8724
552 A09 0.8718
553 3PG 0.8717
554 1OS 0.8717
555 4FH 0.8716
556 AEF 0.8716
557 GEO 0.8715
558 SDF 0.8714
559 54Z 0.8713
560 B86 0.8713
561 4NB 0.8712
562 CP6 0.8709
563 QME 0.8709
564 BRD 0.8704
565 MNN 0.8702
566 ASC 0.8699
567 EOU 0.8697
568 KMY 0.8696
569 9BF 0.8696
570 5OO 0.8695
571 AX3 0.8694
572 5TT 0.8694
573 TAG 0.8694
574 5O6 0.8693
575 H4B 0.8693
576 E4P 0.8691
577 F06 0.8690
578 S7J 0.8688
579 NAG 0.8688
580 SBK 0.8687
581 EUE 0.8686
582 4MP 0.8685
583 7MU 0.8683
584 F01 0.8683
585 FA0 0.8683
586 DNB 0.8682
587 78U 0.8681
588 TR4 0.8680
589 MNP 0.8678
590 XIF XYP 0.8677
591 TIA 0.8674
592 FBF 0.8671
593 0OO 0.8670
594 263 0.8667
595 RKN 0.8667
596 C2Y 0.8666
597 3H2 0.8664
598 GLY GLY 0.8664
599 YTX 0.8661
600 22L 0.8660
601 6XI 0.8660
602 RBJ 0.8657
603 TJM 0.8656
604 5UD 0.8655
605 A7Q 0.8653
606 2LY 0.8652
607 NYL 0.8652
608 3AE 0.8651
609 P9E 0.8650
610 BY5 0.8647
611 TI7 0.8645
612 14N 0.8641
613 GZL 0.8641
614 HSX 0.8640
615 LYS 0.8640
616 AR3 0.8640
617 AM1 0.8639
618 49F 0.8639
619 LSQ 0.8638
620 BHA 0.8637
621 28A 0.8636
622 A7N 0.8636
623 AUV 0.8631
624 DER 0.8630
625 LOT 0.8630
626 657 0.8629
627 3Y7 0.8629
628 DOB 0.8629
629 1PS 0.8622
630 PQM 0.8620
631 BCU 0.8615
632 FOM 0.8614
633 K3Y 0.8612
634 KBZ 0.8612
635 8OB 0.8611
636 WVV 0.8609
637 LDP 0.8607
638 2J5 0.8606
639 0OY 0.8606
640 LR5 0.8604
641 OMD 0.8604
642 ZIQ 0.8603
643 ZEC 0.8601
644 LLT 0.8600
645 SN4 0.8600
646 S0D 0.8598
647 2AL 0.8596
648 8OE 0.8596
649 HG3 0.8593
650 FB4 0.8582
651 A8Q 0.8581
652 KLS 0.8581
653 SY4 0.8581
654 BGP 0.8579
655 4MB 0.8578
656 ABF 0.8575
657 5XB 0.8575
658 5CU 0.8572
659 XI7 0.8571
660 TCL 0.8568
661 T9G 0.8562
662 VM1 0.8560
663 J27 0.8550
664 449 0.8550
665 0GA 0.8547
666 4NZ 0.8545
667 EAJ 0.8543
668 6WR 0.8531
669 NGA 0.8530
670 42J 0.8526
671 AVA 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K7M; Ligand: FAD; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 3k7m.bio1) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 1V59 NAD 4.64037
2 3ICT ADP 4.64037
3 3ICS ADP 4.64037
4 2JB2 FAD 6.03248
5 2JB2 FAD 6.03248
6 2JB2 PHE 6.03248
7 2JB2 PHE 6.03248
8 6KGQ DJC FAD 6.11765
9 5ZBC FAD 7.19258
10 5ZBC FAD 7.19258
11 4ZCC FAD 7.44048
12 5G3U FDA 7.56501
13 5G3U FDA 7.56501
14 1RSG FAD 7.65661
15 1YY5 FAD 7.65661
16 1RSG FAD 7.65661
17 1YY5 FAD 7.65661
18 7C3H FAD 7.88863
19 6F7L FAD 9.72851
20 3QJ4 FAD 10.8187
21 3QJ4 FAD 10.8187
22 4FWE FAD 29.4664
23 4HSU FAD 29.4664
24 4GUS FAD 29.4664
25 1REO FAD 39.2111
26 1H82 GZZ 39.9072
27 1H82 FAD 39.9072
28 1H82 FAD 39.9072
29 5TS5 FAD 40.6032
30 5TS5 FAD 40.6032
31 5TS5 FAD 40.6032
32 5TS5 FAD 40.6032
33 7C4A FAD 42.6605
34 7C4A FAD 42.6605
35 2YG3 FAD 43.1555
36 2YG3 FAD 43.1555
37 2VVL FAD 44.0835
38 2VVL FAD 44.0835
39 2VVL FAD 44.0835
40 2VVL FAD 44.0835
41 2VVL FAD 44.0835
42 2VVL FAD 44.0835
43 6LQL FAD 46.5882
Pocket No.: 2; Query (leader) PDB : 3K7M; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3k7m.bio1) has 53 residues
No: Leader PDB Ligand Sequence Similarity
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