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Receptor
PDB id Resolution Class Description Source Keywords
3CTY 2.35 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF T. ACIDOPHILUM THIOREDOXIN REDUCTASE THERMOPLASMA ACIDOPHILUM THIOREDOXIN REDUCTASE FAD OXIDOREDUCTASE FLAVIN FLAVOPRO
Ref.: THIOREDOXIN REDUCTASE FROM THERMOPLASMA ACIDOPHILUM TWIST ON REDOX REGULATION. BIOCHEMISTRY V. 47 9728 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1000;
B:1001;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CTY 2.35 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF T. ACIDOPHILUM THIOREDOXIN REDUCTASE THERMOPLASMA ACIDOPHILUM THIOREDOXIN REDUCTASE FAD OXIDOREDUCTASE FLAVIN FLAVOPRO
Ref.: THIOREDOXIN REDUCTASE FROM THERMOPLASMA ACIDOPHILUM TWIST ON REDOX REGULATION. BIOCHEMISTRY V. 47 9728 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3CTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(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 3CTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5MIR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5MH4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5MIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5MIP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5MIT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5MJK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5MIS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 3CTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2Q0K - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 2Q0L - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 5J60 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 2Q7V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 3F8R - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3F8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3F8D - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 4UP3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
17 1TDF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
18 1TRB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 1TDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CTY; Ligand: FAD; Similar sites found with APoc: 842
This union binding pocket(no: 1) in the query (biounit: 3cty.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5LOG SAH None
2 3RKR NAP 0.626959
3 4L8V NAP 0.940439
4 1CER NAD 1.25392
5 5H81 NAP 1.25392
6 2Q1W NAD 1.25392
7 3CB2 GDP 1.25392
8 4MP8 NAD 1.25392
9 4MP8 MLI 1.25392
10 5BW4 SAM 1.49813
11 1KJ8 GAR 1.5674
12 1Q8Q MAN MMA 1.5674
13 1Q8S MAN MMA 1.5674
14 2PHR MAN MAN BMA MAN 1.5674
15 5X62 SAH 1.5674
16 3CMC NAD 1.5674
17 1ORR NAD 1.5674
18 5YF1 SFG 1.5674
19 3VPH OXM 1.6129
20 3VPH NAD 1.6129
21 4DK7 0KS 1.61943
22 4MDH NAD 1.79641
23 5MDH NAD 1.8018
24 1GPE FAD 1.88088
25 1HDG NAD 1.88088
26 4KOA NDP 1.88088
27 1GQ2 NAP 1.88088
28 2YX1 SFG 1.88088
29 5E4R NAP 1.88088
30 3KB6 NAD 1.88088
31 1LJ8 NAD 1.88088
32 2YYY NAP 1.88088
33 2CVQ NDP 1.88088
34 6D6Y SAH 1.88088
35 1M2W NAD 1.88088
36 6BQ6 TER 1.88088
37 2IV3 UDP 1.88088
38 1H5Q NAP 1.88679
39 1QCI ADE 1.9084
40 1US5 GLU 1.91083
41 1YXM ADE 1.9802
42 1RTF BEN 1.98413
43 1C3V NDP 2.04082
44 3WLE NAD 2.05279
45 1L1E SAH 2.09059
46 2HNK SAH 2.09205
47 2C7G FAD 2.19436
48 2C7G ODP 2.19436
49 4Z0H NAD 2.19436
50 3B20 NAD 2.19436
51 2D2I NAP 2.19436
52 1CF2 NAP 2.19436
53 3B1J NAD 2.19436
54 4XDZ NDP 2.19436
55 1X7D NAD 2.19436
56 1SC6 NAD 2.19436
57 2I3G NAP 2.19436
58 3LKZ SFG 2.19436
59 1KGZ PRP 2.19436
60 3LU1 NAD 2.19436
61 5THY SAH 2.19436
62 1F8F NAD 2.19436
63 4JJF FE9 2.19436
64 6F5W KG1 2.19436
65 4JJF N2I 2.19436
66 5A1T OXM 2.19436
67 4DMG SAM 2.19436
68 3HIY UTP 2.19436
69 1I1Q TRP 2.19436
70 5A1T NAI 2.19436
71 5YU3 PRO 2.19436
72 5YU3 NAD 2.19436
73 1WVG APR 2.19436
74 3A27 SAM 2.20588
75 2GZM DGL 2.24719
76 3RFV NAI 2.24719
77 3RFV 15L 2.24719
78 1J1R ADE 2.29885
79 1Q0S SAH 2.3166
80 3A25 SAM 2.32558
81 3Q3C NAD 2.34114
82 2Q46 NAP 2.37154
83 5Y8L HUI 2.37288
84 5Y8L NAD 2.37288
85 5KZD RCJ 2.38908
86 3B1F NAD 2.41379
87 3U31 NAD 2.41379
88 5O22 C3R 2.42215
89 1GVF PGH 2.44755
90 4M69 ANP 2.4735
91 2VT3 ATP 2.50784
92 2XVE FAD 2.50784
93 2XVF FAD 2.50784
94 1X87 NAD 2.50784
95 1GAD NAD 2.50784
96 5Z21 NAI 2.50784
97 4R5M NAP 2.50784
98 1D1T NAD 2.50784
99 1O9P MLA 2.50784
100 5A04 BGC 2.50784
101 5A04 NDP 2.50784
102 3WQT ANP 2.50784
103 2VYN NAD 2.50784
104 3C6K MTA 2.50784
105 3C6K SPD 2.50784
106 3OA2 NAD 2.51572
107 2ZL4 ALA ALA ALA ALA 2.55102
108 2YY7 NAD 2.5641
109 6F9Q NAD 2.57353
110 2R4J 13P 2.59481
111 2R4J FAD 2.59481
112 2XT3 ADP 2.61628
113 5X9D 80F 2.63158
114 5N5D SAM 2.65487
115 3GD8 GOL 2.69058
116 5ZI9 FLC 2.69231
117 2ZIF SAM 2.6936
118 3AFN NAP 2.71318
119 2Q4X HMH 2.71493
120 3O7W SAM 2.72109
121 3H8V ATP 2.73973
122 2JHP SAH 2.82132
123 3CIF NAD 2.82132
124 1OMO NAD 2.82132
125 3H9E NAD 2.82132
126 2B4R AES 2.82132
127 2A92 NAI 2.82132
128 2B4R NAD 2.82132
129 1YS4 NAP 2.82132
130 2O4C NAD 2.82132
131 2GK6 ADP 2.82132
132 3TWO NDP 2.82132
133 5ZI2 ADP 2.82132
134 5ZI2 NAD 2.82132
135 1Q19 SSC 2.82132
136 5F8F SFG 2.82132
137 2D3N GLC GLC GLC 2.82132
138 3CIF G3H 2.82132
139 1N1G BCP 2.82132
140 2O2C G6Q 2.82132
141 3NUG NAD 2.83401
142 1LDN NAD 2.8481
143 6DWI HD4 2.88066
144 5O4J 9KH 2.91971
145 5O4J PJL 2.91971
146 5O4J SAH 2.91971
147 3NHB ADP 2.94118
148 3FUU ADN 2.95203
149 4CT7 TRP 2.96296
150 4ZFL 4NK 2.99145
151 3G2O SAM 3.01003
152 2XVM SAH 3.01508
153 4J1Q NDP 3.01724
154 5N53 8NB 3.07692
155 2PWY SAH 3.10078
156 4OBW SAM 3.11284
157 1PJS NAD 3.1348
158 4N49 SAM 3.1348
159 1WD4 AHR 3.1348
160 3DMH SAM 3.1348
161 1EZ4 NAD 3.1348
162 1P9B HDA 3.1348
163 1VJT NAD 3.1348
164 1SQF SAM 3.1348
165 2FN1 PYR 3.1348
166 1YKF NAP 3.1348
167 1CT9 GLN 3.1348
168 3NB0 G6P 3.1348
169 3DMH GMP 3.1348
170 1U1I NAD 3.1348
171 2NXE SAM 3.14961
172 2F1K NAP 3.22581
173 5KVA SAM 3.23741
174 3VYW SAM 3.24675
175 5AOV NAP 3.27381
176 4DPL NAP 3.34262
177 1X14 NAD 3.44828
178 3WV8 ATP 3.44828
179 4EIP FAD 3.44828
180 4EIP K2C 3.44828
181 5DNK SAH 3.44828
182 5JE8 NAD 3.44828
183 4RQU NAD 3.44828
184 5KKA 6V0 3.44828
185 6BMN PAP 3.44828
186 5DN9 NAD 3.44828
187 5UAV TFB 3.44828
188 5UAV NDP 3.44828
189 1KEV NDP 3.44828
190 5HTX ADP 3.44828
191 1GY8 NAD 3.44828
192 1F76 ORO 3.44828
193 5FUB SAH 3.44828
194 2FK8 SAM 3.45912
195 2UYQ SAM 3.54839
196 5OFW 9TW 3.58744
197 1DIG NAP 3.59477
198 1V6A TRE 3.61446
199 5A96 GTP 3.61446
200 2WA2 SAM 3.62319
201 1L3I SAH 3.64583
202 1M0S CIT 3.65297
203 1N2X SAM 3.65448
204 1RL4 BRR 3.7234
205 5D4V SAH 3.73134
206 1YYE 196 3.73134
207 3GDH SAH 3.73444
208 3WGT QSC 3.7464
209 3WGT FAD 3.7464
210 4YNU LGC 3.76176
211 4YNU FAD 3.76176
212 1O0S NAI 3.76176
213 4M37 SAH 3.76176
214 5WJ6 B4A 3.76176
215 2J5V PCA 3.76176
216 2JJQ SAH 3.76176
217 5NUF NAD 3.76176
218 5NUE NAD 3.76176
219 1E3I CXF 3.76176
220 5XHA FRU 3.76176
221 1Y1P NMN AMP PO4 3.76176
222 5Z3I ADE 3.77358
223 4O1M NAD 3.80952
224 1GEE NAD 3.83142
225 1NVT NAP 3.83275
226 1LUA NAP 3.83275
227 1ZQ9 SAM 3.85965
228 3GU3 SAH 3.87324
229 4LSJ LSJ 3.87597
230 1FK8 NAD 3.89105
231 1PVS 7HP 3.90071
232 5M37 9SZ 3.91304
233 1ZGA SAH 3.92157
234 1RYI GOA 3.9267
235 1RYI FAD 3.9267
236 1XTP SAI 3.93701
237 1W8D NAP 3.97351
238 1W73 NAP 3.97351
239 1W6U NAP 3.97351
240 1KYQ NAD 4.0146
241 1O5I NAD 4.01606
242 5F1V 3VN 4.0404
243 4RSL FAD 4.04494
244 1Y8Q ATP 4.0625
245 2RGJ FAD 4.07523
246 4II2 ATP 4.07523
247 3GFB NAD 4.07523
248 4DSG FAD 4.07523
249 4DSG UDP 4.07523
250 2DFV NAD 4.07523
251 3DAG FEG 4.07523
252 4DCM SAM 4.07523
253 1LLU NAD 4.07523
254 4GKV NAD 4.07523
255 3S1S SAH 4.07523
256 6AM8 TRP 4.07523
257 3LST SAH 4.07523
258 4TQG NDP 4.07523
259 4PIV NDP 4.07523
260 6BWL NAD 4.07523
261 1VKO NAD 4.07523
262 1IM8 SAI 4.09836
263 1YQD NAP 4.09836
264 2AOT SAH 4.10959
265 3O03 NAP 4.12371
266 1I7Q PYR 4.14508
267 1RM4 NDP 4.1543
268 4ZVV NAD 4.21687
269 4ZVV GN0 4.21687
270 2DPM SAM 4.22535
271 4GQY AMP 4.24242
272 5OVK NDP 4.29688
273 2EG5 SAH 4.30108
274 3EGI ADP 4.36893
275 1V8B NAD 4.38413
276 2OOR NAD 4.38871
277 3V1Y NAD 4.38871
278 4JK3 NAD 4.38871
279 1NM5 NAD 4.38871
280 2G5C NAD 4.38871
281 1BXG NAD 4.38871
282 1F8G NAD 4.38871
283 5GZ6 NDP 4.38871
284 4KIB SAH 4.38871
285 4BVA NDP 4.38871
286 1L7E NAI 4.38871
287 5GZ6 7C3 4.38871
288 9LDT NAD 4.38871
289 9LDB NAD 4.38871
290 2IXB NAD 4.38871
291 1SZ2 BGC 4.38871
292 3GGO NAI 4.38871
293 1QMG APX 4.38871
294 1GZ6 NAI 4.38871
295 5BJX NAD 4.38871
296 5BJX UDP 4.38871
297 3GGO ENO 4.38871
298 2IXB A2G 4.38871
299 4J4H NAI 4.38871
300 3H2B SAH 4.4335
301 2VDV SAM 4.47154
302 1HYE NAP 4.47284
303 5NM7 GLY 4.51128
304 3WBF NAP 4.59016
305 3WBF API 4.59016
306 1U7T NAD 4.5977
307 3GWZ SAH 4.60705
308 1YJQ NAP 4.62046
309 3QJ4 FAD 4.70219
310 4IV9 FAD 4.70219
311 4REP FAD 4.70219
312 2AQJ FAD 4.70219
313 2AQJ TRP 4.70219
314 4HA6 FAD 4.70219
315 1I8T FAD 4.70219
316 2IVD FAD 4.70219
317 3NKS FAD 4.70219
318 3SSO SAH 4.70219
319 1EJ0 SAM 4.70219
320 3L9W AMP 4.70219
321 3L9W GSH 4.70219
322 4TSK NDP 4.70219
323 5X20 NAD 4.70219
324 5MPT SAH 4.70219
325 5K4W NAI 4.70219
326 1K3T BRZ 4.70219
327 5UR0 NAD 4.70219
328 1NV8 MEQ 4.70219
329 3MB5 SAM 4.70588
330 3ORF NAD 4.78088
331 2D2F ADP 4.8
332 2PZE ATP 4.80349
333 2F5X ASP 4.80769
334 5W7M SAH 4.80769
335 1JJV ATP 4.85437
336 1KPH SAH 4.87805
337 2BKX F6R 4.95868
338 1E3W NAD 4.98084
339 1I9G SAM 5
340 1E6W NAD 5
341 4RPL FAD 5.01253
342 4RPL 3UC 5.01253
343 1KNR FAD 5.01567
344 2RI1 GLP 5.01567
345 3PT9 SAH 5.01567
346 3TLJ SAH 5.01567
347 4EUE NAI 5.01567
348 6BII NAP 5.01567
349 4KFU ACP 5.01567
350 4W6Z 8ID 5.01567
351 2GLX NDP 5.01567
352 4KRG SAH 5.01567
353 3LN9 FLC 5.03597
354 3NOJ PYR 5.04202
355 3LCC SAH 5.10638
356 5AYV NAP 5.17799
357 5AYV KPL 5.17799
358 3ZNN FAD 5.18732
359 3ZNN 4WL 5.18732
360 1FWV SGA MAG FUC 5.22388
361 1H2B NAJ 5.29248
362 1P77 ATR 5.32915
363 2GMH FAD 5.32915
364 1YKJ PHB 5.32915
365 1YKJ FAD 5.32915
366 4BJZ P3A 5.32915
367 4BJZ FAD 5.32915
368 3S5W NAP 5.32915
369 5X68 FAD 5.32915
370 1A5Z NAD 5.32915
371 3S5W FAD 5.32915
372 1PL6 NAD 5.32915
373 3X0D SAH 5.32915
374 2DC1 NAD 5.32915
375 6FDF SAH 5.32915
376 3I7S PYR 5.32915
377 6ACS CIT 5.32915
378 1PL6 572 5.32915
379 3AI3 SOE 5.32915
380 1SAY PYR 5.32915
381 2GZ3 NAP 5.32915
382 5KVS NAP 5.32915
383 1GZ4 ATP 5.32915
384 4XQC NAD 5.32915
385 1F3L SAH 5.32915
386 4XQC 13D 5.32915
387 5ZW3 SAH 5.33333
388 1ZEM NAD 5.34351
389 4WGF HX2 5.36585
390 2XWL CTP 5.38117
391 4NBT NAD 5.41667
392 1G6H ADP 5.44747
393 4ZRN NAD 5.44872
394 1QD0 RR6 5.46875
395 1GV0 NAD 5.48387
396 1GUZ NAD 5.48387
397 1P1C SAH 5.52764
398 3JWH SAH 5.52995
399 1J5P NAD 5.5336
400 1WP4 NDP 5.53633
401 2CVZ NDP 5.53633
402 3OFK SAH 5.55556
403 2PT9 S4M 5.60748
404 1O6Z NAD 5.61056
405 2BRY FAD 5.64263
406 5BRT CH9 5.64263
407 5BRT FAD 5.64263
408 3G5S FAD 5.64263
409 5MZI FAD 5.64263
410 5MZI FYK 5.64263
411 4J36 FAD 5.64263
412 5YB7 FAD 5.64263
413 4RDH AMP 5.64263
414 5YB7 ORN 5.64263
415 4J36 1HR 5.64263
416 5G3U FDA 5.64263
417 2JB2 PHE 5.64263
418 4RDI ATP 5.64263
419 2JB2 FAD 5.64263
420 4D79 ATP 5.64263
421 4TXI FAD 5.64263
422 5G3U ITW 5.64263
423 5Y77 FAD 5.64263
424 4C3Y FAD 5.64263
425 4C3Y ANB 5.64263
426 5ZBC FAD 5.64263
427 4CJX NAP 5.64263
428 3L4S NAD 5.64263
429 3V1U NAD 5.64263
430 3VSE SAH 5.64263
431 1OBB NAD 5.64263
432 3L4S 3PG 5.64263
433 4USS GSH 5.64263
434 6F3M NAD 5.64263
435 6F3N ADN 5.64263
436 6F3N NAD 5.64263
437 2UZ1 TPP 5.64263
438 1Z82 NDP 5.64263
439 3RGG AIR 5.66038
440 5N6C NAD 5.66667
441 2DT5 NAD 5.6872
442 1VM6 NAD 5.70175
443 1LSS NAD 5.71429
444 1JQ3 AAT 5.74324
445 3E1T FAD 5.95611
446 1PN0 IPH 5.95611
447 1PN0 FAD 5.95611
448 5FJN BE2 5.95611
449 3GF4 UPG 5.95611
450 5FJN FAD 5.95611
451 3GF4 FAD 5.95611
452 4MOP 2H5 5.95611
453 5TUK FAD 5.95611
454 1ELI PYC 5.95611
455 1Z45 NAD 5.95611
456 5TVA AMP 5.95611
457 1PZG A3D 5.95611
458 5XNC MTA 5.95611
459 1WG8 SAM 5.96491
460 5GWX SAR 5.98592
461 5GWX SAM 5.98592
462 5TC4 NAD 6.01266
463 1C3X 8IG 6.01504
464 4P83 U5P 6.04396
465 5E9W SAH 6.08974
466 5BVA FAD 6.11247
467 1JAY NAP 6.13208
468 3C1O NAP 6.23053
469 4QTU SAM 6.25
470 4J56 FAD 6.26959
471 1H82 FAD 6.26959
472 1H82 GZZ 6.26959
473 1Q9I TEO 6.26959
474 1Q9I FAD 6.26959
475 3OZ2 FAD 6.26959
476 4MIG G3F 6.26959
477 1COY AND 6.26959
478 5EZ7 FAD 6.26959
479 1COY FAD 6.26959
480 1BXK NAD 6.26959
481 3VGL BGC 6.26959
482 5W3K 9TY 6.26959
483 1ZH8 NAP 6.26959
484 5FI3 NAP 6.26959
485 5W3K NDP 6.26959
486 4GPS CIT 6.26959
487 1KYZ SAH 6.30137
488 2I7C AAT 6.36042
489 1PS9 FAD 6.58307
490 5BUK FAD 6.58307
491 2IID PHE 6.58307
492 2IID FAD 6.58307
493 2YG3 FAD 6.58307
494 1REO FAD 6.58307
495 5TS5 FAD 6.58307
496 2VVL FAD 6.58307
497 2VVM FAD 6.58307
498 5TUF TDC 6.58307
499 2DKH FAD 6.58307
500 2DKH 3HB 6.58307
501 5TUF FAD 6.58307
502 1C0I BE2 6.58307
503 1C0I FAD 6.58307
504 5AHO TLA 6.58307
505 1PS9 NAP 6.58307
506 3OND ADN 6.58307
507 3OND NAD 6.58307
508 2VHW NAI 6.58307
509 4KRI SAH 6.58307
510 4HXY NDP 6.621
511 5T9E NAP 6.64207
512 5EOW FAD 6.66667
513 3DUW SAH 6.72646
514 1C3M MAN MAN 6.80272
515 5BSH PRO 6.85921
516 5I39 FAD 6.86275
517 1D4D FAD 6.89655
518 4OPC FDA 6.89655
519 4OPC PGT 6.89655
520 4AP3 NAP 6.89655
521 4AP3 FAD 6.89655
522 1DSS NAD 6.89655
523 5N2I NAP 6.89655
524 3CBG SAH 6.89655
525 1RJD SAM 6.89655
526 1FIW PBZ 6.89655
527 1UWK URO 6.89655
528 1UWK NAD 6.89655
529 3FRH SAH 6.89655
530 3GCZ SAM 6.89655
531 1LTH NAD 6.89655
532 2C29 NAP 6.89655
533 3K5I AIR 6.94789
534 4POO SAM 7
535 2PS1 PRP 7.07965
536 4YMH SAH 7.08333
537 1NXJ TLA 7.10383
538 3GRU AMP 7.11864
539 4ZCC FAD 7.14286
540 4ZCC NAI 7.14286
541 3MAG SAH 7.16612
542 2QA1 FAD 7.2
543 3X0V FAD 7.21003
544 2E5V FAD 7.21003
545 4MO2 FAD 7.21003
546 4MO2 FDA 7.21003
547 3IHG FAD 7.21003
548 2Y6Q I7T 7.21003
549 5HSA FAS 7.21003
550 2Y6Q FAD 7.21003
551 1J49 NAD 7.21003
552 1HKU NAD 7.21003
553 5D85 FLC 7.21003
554 3BAZ NAP 7.21003
555 5A2Z GTP 7.21003
556 4KQW NAP 7.21003
557 5GZ9 MAN 7.21311
558 3VOZ 04A 7.30159
559 3QV1 NAD 7.31707
560 3DXY SAM 7.33945
561 3MCT SAH 7.40741
562 5EIN NAP 7.40741
563 3T7S SAM 7.46269
564 1LC3 NAD 7.48299
565 3AYI HCI 7.52351
566 3AYI FAD 7.52351
567 3FPZ AHZ 7.52351
568 3HDY FAD 7.52351
569 3HDY FDA 7.52351
570 3HDY GDU 7.52351
571 4C4A SAH 7.52351
572 4GLL NAD 7.52351
573 5G48 1FL 7.52351
574 4Z94 ATP 7.52351
575 1SQK ADP 7.52351
576 3KIF GDL 7.54717
577 2X52 GYT 7.60234
578 2DBZ NAP 7.78443
579 1HDR NAD 7.78689
580 5ZZ6 ADP 7.83699
581 5NA1 FAD 7.83699
582 5EB4 FAD 7.83699
583 5LD5 NAD 7.83699
584 2PV7 NAD 7.83699
585 4XDY NAI 7.83699
586 3ULK NDP 7.83699
587 5ZZ6 NAD 7.83699
588 5EVY FAD 7.83699
589 2ZFU SAH 7.83699
590 5ULP KB1 7.83699
591 2P41 SAH 7.86885
592 1LDM NAD 7.90274
593 2XYQ SAH 7.93103
594 5CAE COA 7.98722
595 5CAE SIN 7.98722
596 1E5Q NDP 8
597 1UXG FUM 8.09062
598 1UXG NAD 8.09062
599 6AIN FAD 8.13397
600 3K7M FAD 8.15047
601 3NYC IAR 8.15047
602 3NYC FAD 8.15047
603 3GDN HBX 8.15047
604 3GDN FAD 8.15047
605 2OFW ADX 8.17308
606 6HKE MLT 8.1761
607 6HKE LMR 8.1761
608 4B4U NAP 8.25082
609 2VOH CIT 8.28025
610 1JNR FAD 8.46395
611 4XFR CIT 8.46395
612 1UZN NAP 8.50202
613 4YSX FAD 8.51064
614 1QAN SAH 8.60656
615 3EVG SAH 8.72727
616 4IWN GEK 8.73362
617 3AD8 NAD 8.77743
618 5MBX FAD 8.77743
619 5MBX SP5 8.77743
620 4U8P UDP 8.77743
621 4U8P FDA 8.77743
622 3AD8 FAD 8.77743
623 3AD8 PYC 8.77743
624 4TM3 FAD 8.77743
625 1WDK NAD 8.77743
626 1C1X NAD 8.77743
627 4XZ3 COA 8.77743
628 3C3Y SAH 8.86076
629 1P3D UMA 9.05263
630 2HQM FAD 9.09091
631 1BW9 NAD 9.09091
632 6EL3 NAP 9.09091
633 5WP4 SAH 9.09091
634 1DRV A3D 9.15751
635 3KU0 ADE 9.16335
636 2O07 MTA 9.21053
637 1ZK7 FAD 9.40439
638 5WP5 SAH 9.40439
639 1DLJ NAI 9.40439
640 1UP7 NAD 9.40439
641 6CEP NAD 9.40439
642 6CEP OXM 9.40439
643 1DLJ UGA 9.40439
644 5KOK SAH 9.40439
645 1SOW NAD 9.40439
646 2PEZ DAT 9.49721
647 5OF1 SAL 9.52381
648 5D1R 56S 9.62343
649 1QO8 FAD 9.71787
650 1VQW FAD 9.71787
651 2GV8 FAD 9.71787
652 2GVC FAD 9.71787
653 3ABI NAD 9.71787
654 2GV8 NDP 9.71787
655 5JJR SAH 9.71787
656 6F97 FAD 9.79284
657 3ZIA ADP 9.83607
658 2ZXI FAD 9.89011
659 5W7K SAH 9.9359
660 2HK9 ATR 10.0313
661 5OC1 FAD 10.0313
662 4AT0 FAD 10.0313
663 2HK9 NAP 10.0313
664 2CDC NAP 10.0313
665 2CDC XYS 10.0313
666 2CDC XYP 10.0313
667 4XAR 40F 10.058
668 5EES NAP 10.1215
669 3A4T SFG 10.219
670 4JDR FAD 10.3448
671 2RGH FAD 10.3448
672 2RGO FAD 10.3448
673 1EBF NAD 10.3448
674 1EQ2 NAP 10.3448
675 2X6T NAP 10.3448
676 2FR1 NDP 10.3448
677 1P0F NAP 10.3448
678 5G6U TRP 10.3448
679 4YMZ 13P 10.3586
680 2HMT NAI 10.4167
681 1I36 NAP 10.6061
682 3NT6 FAD 10.6583
683 3NTA FAD 10.6583
684 1HYH NAD 10.6583
685 1KPG SAH 10.8014
686 1BZL GCG 10.9718
687 1BZL FAD 10.9718
688 5KMS NAD 10.9718
689 5KMS FAD 10.9718
690 6AA8 NAD 10.9718
691 3H5N ATP 10.9718
692 3A06 NDP 10.9718
693 2Q1S NAI 10.9718
694 1KOL NAD 10.9718
695 2NU8 COA 11.0825
696 4JLS 3ZE 11.1842
697 5L95 AMP 11.25
698 1GTE FAD 11.2853
699 3KLJ FAD 11.2853
700 3QVP FAD 11.2853
701 5UAO FAD 11.2853
702 4LWP SAH 11.2853
703 1R37 NAD 11.5274
704 2WPF WPF 11.5987
705 2WPF FAD 11.5987
706 5WGR FAD 11.5987
707 1CDO NAD 11.5987
708 2WDQ CBE 11.6279
709 5BWD FUM 11.6667
710 5EYY MDM 11.8367
711 6FP4 E1T 11.9122
712 6FP4 FAD 11.9122
713 2OEM 1AE 11.9122
714 1RPN NDP 11.9122
715 1YY5 FAD 12.2257
716 1RSG FAD 12.2257
717 3UCL FAD 12.2257
718 3UCL CYH 12.2257
719 3UCL NAP 12.2257
720 1MUU NAD 12.2257
721 3KIH GDL 12.3711
722 1FS5 TLA 12.406
723 1RP0 AHZ 12.5392
724 5ERG SAM 12.5392
725 1J0X NAD 12.5392
726 1MV8 NAD 12.5392
727 2PXX SAH 12.5581
728 3NJ4 NAD 12.8527
729 3NJ4 AFX 12.8527
730 4CQM NAP 12.8527
731 1NYT NAP 12.9151
732 4USI AKG 12.987
733 1NE7 AGP 13.1488
734 3NTD FAD 13.1661
735 5DX8 SFG 13.1805
736 5DXA SFG 13.1805
737 5DWQ SFG 13.1805
738 1NVM NAD 14.1026
739 5M67 NAD 14.1066
740 5M67 3D1 14.1066
741 1GR0 NAD 14.1066
742 5M67 ADE 14.1066
743 3BXF FBP 14.1176
744 1PZM 5GP 14.218
745 5ODQ FAD 14.2857
746 5YEC ATP 14.2857
747 1F06 NDP 14.4201
748 3OJO NAD 14.4201
749 1VI2 NAD 14.6667
750 2CDU FAD 15.047
751 2CDU ADP 15.047
752 2JBH 5GP 15.1111
753 1NPD NAD 15.2778
754 4YCA NDP 15.3061
755 6C8R SAH 15.3605
756 5Z20 NAI 15.674
757 4FZV SAM 15.674
758 1JG3 ADN 15.7447
759 5E8J SAH 15.9091
760 2QA8 GEN 16.6667
761 3G89 SAM 16.8675
762 5JWC FAD 17.2414
763 5ZYN FAD 17.5549
764 4D3F NAP 17.8683
765 4GQB 0XU 18.1818
766 1E1M NAP 18.4953
767 1E1M FAD 18.4953
768 1E6E FAD 18.4953
769 5KOX RFP 18.4953
770 5KOX FAD 18.4953
771 2FWP ICR 18.5792
772 5ITZ GDP 18.6047
773 1DL5 SAH 18.612
774 5C2N NAG 18.75
775 2EV9 SKM 19.0114
776 2EV9 NAP 19.0114
777 4M38 SAH 19.0476
778 2NVK FAD 19.1223
779 2NVK NAP 19.1223
780 2BTO GTP 19.4444
781 5FA5 MTA 20
782 6DNT NAD 20.0627
783 4M52 FAD 20.3762
784 4M52 M52 20.3762
785 2A8X FAD 20.6897
786 3LAD FAD 20.6897
787 6F5Z SAH 21.3115
788 2YVF NAD 21.3166
789 2YVF FAD 21.3166
790 2YVJ FAD 21.3166
791 2YVJ NAI 21.3166
792 5JCM NAD 21.9436
793 5JCM ISD 21.9436
794 5JCM FAD 21.9436
795 2ZJ1 NAD 21.9436
796 2ZJ1 ARJ 21.9436
797 4USQ FAD 23.1975
798 5U8U FAD 23.8245
799 4USR FAD 25.0784
800 2NPX NAD 25.7053
801 2NPX FAD 25.7053
802 1LVL FAD 26.6458
803 1LVL NAD 26.6458
804 1FEC FAD 28.5266
805 1NAA ABL 28.5266
806 1NAA 6FA 28.5266
807 4D04 FAD 28.8401
808 4D04 NAP 28.8401
809 1GET FAD 30.094
810 1GET NAP 30.094
811 3QFA FAD 30.4075
812 1YQZ FAD 30.4075
813 3SQP FAD 32.2884
814 4CNK FAD 35.4232
815 3FG2 FAD 35.4232
816 1O94 ADP 36.0502
817 1DJN ADP 36.0502
818 4EMI NAD 37.3041
819 4EMI FAD 37.3041
820 1Q1R FAD 37.3041
821 4EMJ FAD 37.3041
822 3AB1 FAD 38.2445
823 5TWB FAD 41.0658
824 5JCA NDP 41.6928
825 5JCA FAD 41.6928
826 4NTC FAD 41.6928
827 5J5Z FAD 42.3197
828 3RNM FAD 42.3197
829 6GAR FAD 42.3197
830 2F5Z FAD 42.3197
831 4JNA FAD 42.3197
832 5N0J FAD 43.5737
833 1V59 NAD 43.8871
834 1V59 FAD 43.8871
835 1MO9 KPC 44.5141
836 1MO9 FAD 44.5141
837 3LZW NAP 45.1411
838 3LZW FAD 45.1411
839 3ITJ FAD 45.768
840 6GAS FAD 45.768
841 3ITJ CIT 45.768
842 1VDC FAD 46.7085
Pocket No.: 2; Query (leader) PDB : 3CTY; Ligand: FAD; Similar sites found with APoc: 253
This union binding pocket(no: 2) in the query (biounit: 3cty.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 6BKL EU7 None
2 2GSD NAD 1.25392
3 5BSZ SAH 1.25392
4 2PHR MAN MAN 1.5674
5 2GND MAN MMA 1.5674
6 2PHW MAN MAN 1.5674
7 2PHF MAN MAN 1.5674
8 2AUY NAG MAN MMA 1.5674
9 2GND MAN 1.5674
10 1Q8P MAN MMA 1.5674
11 1Q8V MAN MAN 1.5674
12 5I34 GDP 1.5674
13 2PHU MAN MAN 1.5674
14 2GNB MAN 1.5674
15 3LL5 IP8 1.60643
16 6ECT SAM 1.88088
17 5VJE GOS 1.88088
18 4LYA ATP 1.88088
19 2GDZ NAD 1.88088
20 5DF1 58X 1.88088
21 5DF1 NAP 1.88088
22 2C49 ANP 1.98676
23 5THZ SAH 2.19436
24 1T9D P22 2.19436
25 1WDI CIT 2.19436
26 6CAM BGC 2.19436
27 5GOO FRU 2.19436
28 5U19 827 2.19436
29 5U19 SAH 2.19436
30 4RD0 GDP 2.19436
31 1X7D ORN 2.19436
32 2IXE ATP 2.21402
33 6ECU SAH 2.21519
34 6ECW SAH 2.22222
35 2VAR KDG 2.23642
36 2VAR KDF 2.23642
37 2VAR AMP 2.23642
38 2EB5 OXL 2.24719
39 4DDY DN6 2.28137
40 6E8I PTR 2.36686
41 5MUA GAL 2.44755
42 1KK1 GNP 2.50784
43 5C9P FUC 2.50784
44 2IYF UDP 2.50784
45 2B5W NAP 2.50784
46 3EF0 ALF 2.50784
47 3QOX SAH 2.50784
48 5WS9 AMP 2.50784
49 4H4D 10E 2.50784
50 4R5M 4NO 2.50784
51 5TQZ GLC 2.66667
52 2F2G HMH 2.71493
53 3JQA NAP 2.77778
54 4CLR NAP 2.77778
55 4CM8 NAP 2.77778
56 3JQF NAP 2.77778
57 3BMO NAP 2.77778
58 3JQG NAP 2.77778
59 4CMI NAP 2.77778
60 3JQ7 NAP 2.77778
61 3BMQ NAP 2.77778
62 4CM4 NAP 2.77778
63 3JQB NAP 2.77778
64 3BMN NAP 2.77778
65 1TPY SAH 2.78746
66 5E72 SAM 2.82132
67 2GEK GDP 2.82132
68 1YBH P22 2.82132
69 4UP4 GAL NAG 2.82132
70 2GCG NDP 2.82132
71 2AHR NAP 2.82132
72 3D3W NAP 2.86885
73 5E1M SAH 2.90456
74 3BBH SFG 2.92683
75 1BC5 SAH 2.97398
76 2WD7 NAP 2.98507
77 5XGX DAS DLY 3.03797
78 1G60 SAM 3.07692
79 4R6W SAH 3.10078
80 5XLS URA 3.1348
81 1T26 GBD 3.1348
82 1T26 NAI 3.1348
83 3N9R TD3 3.25733
84 1IK4 PGH 3.28947
85 2BQP GLC 3.4188
86 4XYB NDP 3.44828
87 5L53 NAP 3.44828
88 4EI7 GDP 3.44828
89 4XDA RIB 3.55987
90 3DCM SAM 3.64583
91 3OU2 SAH 3.66972
92 4ONQ SFG 3.76176
93 4M73 SAH 3.76176
94 4M73 M72 3.76176
95 4NEC SAH 3.76176
96 4LZB URA 3.78151
97 1PNO NAP 3.88889
98 4PNE SAH 3.97351
99 5HJM MTA 3.97727
100 3M89 GSP 3.98126
101 4Q9N NAI 4.02685
102 3N8K D1X 4.06977
103 2EJU SAH 4.07523
104 1D4O NAP 4.07523
105 1NW5 SAM 4.07523
106 4JBL MET 4.07523
107 2ZUX RAM 4.07523
108 1F74 NAY 4.09556
109 5VKT NAP 4.14365
110 1U3R 338 4.14938
111 2FJK 13P 4.2623
112 2WPB ZZI 4.27632
113 5A3B APR 4.29043
114 1GEG NAD 4.29688
115 5ZJ5 NAI 4.32099
116 4OGQ 7PH 4.38871
117 4J4H 1J1 4.38871
118 1U8X NAD 4.38871
119 2OG2 MLI 4.38871
120 4K49 HFQ 4.41176
121 3HVJ 705 4.52489
122 1UYY BGC BGC 4.58015
123 4XUC 43G 4.58716
124 4XUC SAM 4.58716
125 1P9P SAH 4.5977
126 5MGZ SAH 4.66102
127 1OFL ASG GCD 4.70219
128 3TKA SAM 4.70219
129 1NV8 SAM 4.70219
130 4JZX 476 4.70219
131 2CH5 NDG 4.70219
132 1DCP HBI 4.80769
133 1WOQ BGC 4.86891
134 4MCC 21X 4.87805
135 2IZ1 ATR 5.01567
136 5A1S FLC 5.01567
137 5F7U GLC GLC 5.01567
138 5TOW NAI 5.01567
139 5TOW ADN 5.01567
140 3OTI TYD 5.02513
141 5FTW SAH 5.07812
142 2BOI MFU 5.30973
143 3QFU ADP 5.32915
144 2BZG SAH 5.60345
145 2PT9 2MH 5.60748
146 1WY7 SAH 5.64263
147 4JBI NDP 5.64263
148 5DEQ ARA 5.70175
149 4NAE 1GP 5.77778
150 1TUU AMP 5.95611
151 1FP1 SAH 5.95611
152 1PFK ADP 5.95611
153 4B9Q ATP 5.95611
154 2D0O ADP 5.95611
155 4L2I FAD 6.08365
156 6B92 SAH 6.12245
157 4UBS DIF 6.26959
158 2P39 SCR 6.45161
159 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 6.53595
160 1WPQ NAD 6.58307
161 2HW1 ANP 6.71141
162 1DJL NAP 6.76329
163 4AZW SAM 6.79405
164 2QV7 ADP 6.82493
165 2PX8 SAH 6.89655
166 4A0S NAP 6.89655
167 2VTD LKM 6.89655
168 6MDE MEV 6.93069
169 5CUQ NSC 7.11611
170 6GFK SAH 7.17131
171 4B2D FBP 7.21003
172 3RYC GTP 7.21003
173 4FL3 ANP 7.21003
174 5NUL FMN 7.24638
175 2BOS GLA GAL GLC 7.35294
176 2BOS GLA GAL GLC NBU 7.35294
177 2FPU HSO 7.38636
178 3ZBQ GDP 7.50751
179 2D1K ATP 7.52351
180 2FF3 ATP 7.52351
181 5YPU ATP 7.52351
182 2A40 ATP 7.52351
183 5CB3 APR 7.65027
184 3OID NDP 7.75194
185 4OOE NDP 7.83699