Receptor
PDB id Resolution Class Description Source Keywords
1O97 1.6 Å EC: 1.-.-.- STRUCTURE OF ELECTRON TRANSFERRING FLAVOPROTEIN FROM METHYLOPHILUS METHYLOTROPHUS, RECOGNITION LOOP REMOVED BY L IMITED PROTEOLYSIS METHYLOPHILUS METHYLOTROPHUS ELECTRON TRANSFER FLAVOPROTEIN FAD BINDING
Ref.: EXTENSIVE CONFORMATIONAL SAMPLING IN A TERNARY ELECTRON TRANSFER COMPLEX. NAT.STRUCT.BIOL. V. 10 219 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP C:1262;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
FAD D:1319;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O97 1.6 Å EC: 1.-.-.- STRUCTURE OF ELECTRON TRANSFERRING FLAVOPROTEIN FROM METHYLOPHILUS METHYLOTROPHUS, RECOGNITION LOOP REMOVED BY L IMITED PROTEOLYSIS METHYLOPHILUS METHYLOTROPHUS ELECTRON TRANSFER FLAVOPROTEIN FAD BINDING
Ref.: EXTENSIVE CONFORMATIONAL SAMPLING IN A TERNARY ELECTRON TRANSFER COMPLEX. NAT.STRUCT.BIOL. V. 10 219 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3CLU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3CLR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3CLT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3CLS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1O97 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3CLU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3CLR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3CLT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3CLS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1O97 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3CLU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3CLR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3CLT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3CLS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1O97 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Ligand no: 2; Ligand: FAD; Similar ligands found: 119
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 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
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 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O97; Ligand: AMP; Similar sites found: 213
This union binding pocket(no: 1) in the query (biounit: 1o97.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.04395 0.42234 None
2 2O07 MTA 0.009312 0.4107 1.89394
3 2O07 SPD 0.01179 0.40193 1.89394
4 3FUU ADN 0.01914 0.41457 2.27273
5 1P1C SAH 0.01021 0.41902 2.51256
6 3LCC SAH 0.0004066 0.50333 2.55319
7 2P41 SAH 0.001632 0.46946 2.65152
8 3EVG SAH 0.002337 0.4619 2.65152
9 3DMH SAM 0.007851 0.43 2.65152
10 1Z3C SA8 0.006007 0.41397 2.65152
11 4C01 QY9 0.04838 0.41029 2.65152
12 3A25 SAM 0.003651 0.45249 2.65781
13 2OQ2 A3P 0.0003797 0.4915 2.68199
14 3U31 NAD 0.00001055 0.55884 2.75862
15 3VYW SAM 0.009876 0.42532 2.92208
16 4YGM URA 0.04162 0.42697 3.01724
17 2PT9 S4M 0.00568 0.42497 3.0303
18 2G30 ALA ALA PHE 0.008059 0.44084 3.10078
19 3BXO SAM 0.002076 0.47686 3.34728
20 3EGI ADP 0.0008303 0.5196 3.39806
21 1YXM ADE 0.002727 0.48643 3.40909
22 4DMG SAM 0.00295 0.47345 3.40909
23 2OG2 MLI 0.0391 0.42897 3.40909
24 5F8F SFG 0.01874 0.42415 3.40909
25 3CBG SAH 0.01363 0.42783 3.44828
26 3WDM ADN 0.009507 0.40152 3.44828
27 2GN3 MMA 0.02505 0.44307 3.57143
28 1KYQ NAD 0.007008 0.44218 3.78788
29 5JJR SAH 0.006243 0.44117 3.78788
30 3BJE URA 0.02988 0.42728 3.78788
31 1I9G SAM 0.01223 0.42096 3.78788
32 4ONQ SFG 0.01652 0.42058 3.78788
33 2WSI FAD 0.009339 0.42646 3.92157
34 3FIU AMP 0.01082 0.44777 4.01606
35 3EYA FAD 0.000023 0.40604 4.0625
36 2C5S AMP 0.0001715 0.55114 4.16667
37 5A07 GDP 0.01859 0.43505 4.16667
38 3VC1 SAH 0.006151 0.42898 4.16667
39 4RDH AMP 0.03113 0.4129 4.16667
40 5MGZ SAH 0.008698 0.43097 4.23729
41 1YBH FAD 0.0000002188 0.55544 4.375
42 4N49 SAM 0.005636 0.43674 4.375
43 1V5F FAD 0.0002505 0.41973 4.375
44 5GM1 SAH 0.003943 0.43771 4.3771
45 2BOS GLA GAL GLC NBU 0.004333 0.48432 4.41176
46 2Q28 ADP 0.00004952 0.5378 4.54545
47 3RFV 15L 0.0125 0.40758 4.54545
48 3RKR NAP 0.01982 0.43354 4.58015
49 4YMH SAH 0.0096 0.4259 4.58333
50 1JGT CMA 0.001914 0.43433 4.6875
51 1JGT APC 0.002131 0.42986 4.6875
52 1V59 NAD 0.00401 0.46643 4.81172
53 1Q19 APC 0.0005904 0.48254 4.92424
54 1IM8 SAI 0.00208 0.45699 4.92424
55 3HSS MLA 0.04074 0.40498 4.92424
56 3H2B SAH 0.03015 0.40507 4.92611
57 3BGD SAH 0.002535 0.44637 5
58 3BGD PM6 0.005371 0.42082 5
59 2HNK SAH 0.002228 0.45559 5.02092
60 1M2K APR 0.00002411 0.51998 5.22088
61 4KRI SAH 0.002451 0.45366 5.30303
62 1XNG ATP 0.004019 0.45047 5.30303
63 3A27 SAM 0.004195 0.44956 5.30303
64 3G2O SAM 0.005947 0.4422 5.30303
65 3GXO SAH 0.01526 0.43214 5.30303
66 3H8V ATP 0.01432 0.42362 5.30303
67 4XG0 CIT 0.03638 0.41816 5.30303
68 1Z45 NAD 0.01248 0.40091 5.3125
69 1EJ0 SAM 0.005296 0.44465 5.55556
70 2PX8 SAH 0.01681 0.42021 5.57621
71 1T9D FAD 0.0000006882 0.53387 5.625
72 1T9D PYD 0.000003108 0.41861 5.625
73 1T9D P25 0.000003195 0.41806 5.625
74 1T9D 1MM 0.000003248 0.41593 5.625
75 2EG5 SAH 0.002243 0.47513 5.68182
76 1G55 SAH 0.001224 0.47155 5.68182
77 2J5V PCA 0.03239 0.43098 5.68182
78 2ZIF SAM 0.01199 0.42431 5.68182
79 2JHP SAH 0.01821 0.42157 5.68182
80 1RLZ NAD 0.005094 0.41458 5.68182
81 3LN9 FLC 0.0276 0.45199 5.7554
82 3P2E SAH 0.02746 0.4044 5.77778
83 3ZF8 GDP 0.004215 0.46984 5.90164
84 2YN4 39J 0.0304 0.43012 5.9322
85 4KRG SAH 0.006037 0.44539 5.9375
86 5F7J ADE 0.02393 0.43774 5.9375
87 4C4A SAH 0.009739 0.42862 5.9375
88 4M37 SAH 0.01401 0.42106 5.9375
89 4M38 SAH 0.01566 0.41591 5.9375
90 4HXY NDP 0.005642 0.41278 5.9375
91 1JG3 ADN 0.001977 0.46542 5.95745
92 5X62 SAH 0.004038 0.45404 6.06061
93 2HK9 ATR 0.02302 0.43001 6.06061
94 1RYD GLC 0.04127 0.42263 6.06061
95 4OBW SAM 0.004996 0.44588 6.22568
96 1S4P GDP 0.009103 0.44767 6.25
97 1WDI CIT 0.03587 0.42866 6.25
98 4NEC SAH 0.018 0.42504 6.25
99 5TVA AMP 0.0245 0.4249 6.25
100 3EF0 ALF 0.0378 0.42244 6.25
101 1WY7 SAH 0.01448 0.41476 6.28019
102 2CHT TSA 0.04318 0.42246 6.29921
103 2JAC GSH 0.04257 0.42584 6.36364
104 3G89 SAM 0.002895 0.46942 6.4257
105 5THY SAH 0.0274 0.40444 6.43939
106 1ZMD NAI 0.01741 0.40365 6.43939
107 3LKZ SFG 0.005908 0.43899 6.5625
108 3L9W AMP 0.002267 0.42878 6.5625
109 3L9W GSH 0.003039 0.42865 6.5625
110 3TLJ SAH 0.0153 0.41105 6.5625
111 1R18 SAH 0.0004635 0.48347 6.60793
112 1L1E SAH 0.00848 0.42843 6.62021
113 4AZT SAM 0.004213 0.44947 6.81818
114 4AZW SAM 0.006823 0.436 6.81818
115 2F6U CIT 0.025 0.43606 6.83761
116 1SQF SAM 0.01501 0.42263 6.875
117 2FK8 SAM 0.006735 0.43312 6.91824
118 3OFK SAH 0.01907 0.40923 6.94444
119 1XTP SAI 0.01838 0.41832 7.08661
120 2UYQ SAM 0.001671 0.50493 7.09677
121 1N2X SAM 0.004591 0.43472 7.19697
122 1KPG SAH 0.01133 0.41968 7.19697
123 2VDV SAM 0.003094 0.46793 7.31707
124 1QAN SAH 0.004358 0.43879 7.37705
125 3GU3 SAH 0.00034 0.52861 7.39437
126 3DXY SAM 0.002528 0.47697 7.5
127 3LST SAH 0.02155 0.42436 7.57576
128 1ZQ9 SAM 0.01157 0.42813 7.7193
129 3GYQ SAM 0.02606 0.41089 7.72059
130 1GY8 NAD 0.008464 0.40566 7.8125
131 3EGV SAH 0.01009 0.43434 7.87402
132 2NXE SAM 0.009949 0.43133 7.87402
133 1WQ1 AF3 0.01929 0.44539 7.95455
134 4RL4 PPV 0.04523 0.42109 8.01887
135 3DUW SAH 0.01206 0.42418 8.07175
136 2DPM SAM 0.002854 0.44724 8.09859
137 1MXI SAH 0.007397 0.43759 8.125
138 4DCM SAM 0.02745 0.4157 8.125
139 3QH2 3NM 0.02313 0.43798 8.1448
140 5MX4 HPA 0.01903 0.43995 8.15451
141 3BBH SFG 0.0172 0.42281 8.29268
142 5HJM MTA 0.001099 0.47376 8.33333
143 4FXQ G9L 0.01087 0.45895 8.33333
144 2EJU SAH 0.003737 0.452 8.33333
145 3A4T SFG 0.006542 0.43067 8.33333
146 2HMT NAI 0.01249 0.41773 8.33333
147 5UDS ATP 0.00002847 0.58647 8.39161
148 3RK1 ATP 0.00127 0.48785 8.43882
149 3RK0 AMP 0.01629 0.43431 8.43882
150 5MPT SAH 0.01084 0.42951 8.71212
151 3CQ5 PMP 0.04251 0.42286 8.94309
152 2YY8 MTA 0.04354 0.41155 8.95522
153 2BZG SAH 0.002384 0.46147 9.05172
154 3ZG6 APR 0.00002838 0.5441 9.09091
155 4KXQ APR 0.0005009 0.48193 9.09091
156 4I5I NAD 0.0006764 0.45885 9.09091
157 5MF6 7M2 0.000418 0.45839 9.09091
158 5MF6 AR6 0.000418 0.45839 9.09091
159 1VE3 SAM 0.02644 0.41059 9.09091
160 1ZEM NAD 0.01108 0.40985 9.16031
161 1L3I SAH 0.0006541 0.46265 9.375
162 1LVL NAD 0.007434 0.43111 9.375
163 5GZ6 NDP 0.03109 0.40184 9.375
164 4FK7 P34 0.01204 0.4546 9.60699
165 2YX1 SFG 0.002085 0.47676 9.84848
166 1ZGA SAH 0.00367 0.46411 9.84848
167 4II2 ATP 0.01844 0.41257 9.84848
168 3SSO SAH 0.03095 0.40194 9.84848
169 5K7U SAM 0.007643 0.4369 10.2222
170 1P31 EPU 0.03895 0.4023 10.2273
171 4KGD TDP 0.00009517 0.40064 10.2273
172 1SZD APR 0.0009155 0.43433 10.6061
173 2Q46 NAP 0.02101 0.40238 10.6719
174 5IL1 SAM 0.01029 0.43061 10.8491
175 4A6D SAM 0.01692 0.41714 10.9375
176 3C3Y SAH 0.004426 0.44497 10.9705
177 1G60 SAM 0.01661 0.41752 11.1538
178 5ULP KB1 0.008135 0.42077 11.5672
179 2PXX SAH 0.01515 0.41944 11.6279
180 1L5Y BEF 0.006243 0.46205 11.7424
181 3R51 MMA 0.01654 0.43716 11.875
182 3GDH SAH 0.00309 0.43945 12.0332
183 4BUZ NAD 0.0003645 0.47019 12.1212
184 4BUZ OCZ 0.0006834 0.44978 12.1212
185 4BUZ OAD 0.0006834 0.44978 12.1212
186 2XYQ SAH 0.02604 0.41091 12.2951
187 3MB5 SAM 0.00248 0.4468 12.5
188 1F3L SAH 0.0184 0.40995 12.5
189 3G6K POP 0.009005 0.40675 12.6623
190 3G6K FAD 0.009632 0.40339 12.6623
191 1X87 NAD 0.004471 0.43524 12.8788
192 2JJQ SAH 0.02038 0.42562 12.8788
193 1KYZ SAH 0.01431 0.42364 12.8788
194 1S7G NAD 0.00007307 0.48893 13.6364
195 1S7G APR 0.0009433 0.43883 13.6364
196 1Y8Q ATP 0.02216 0.40134 13.6364
197 3TKA SAM 0.007994 0.42963 13.75
198 1GXU 2HP 0.01199 0.42774 14.2857
199 2WZ5 MET 0.01199 0.44199 15.6863
200 3I53 SAH 0.01494 0.41687 16.25
201 4QTU SAM 0.004641 0.44398 16.2963
202 2OOR TXP 0.001607 0.44299 17.8125
203 1MJH ATP 0.000003169 0.58856 17.9012
204 5E8J SAH 0.01561 0.43164 18.1818
205 4GQB 0XU 0.01264 0.41223 19.6875
206 1GPM AMP 0.001541 0.48675 19.697
207 1DJL NAP 0.002664 0.42117 19.8068
208 2PNZ 5GP 0.03186 0.42159 21.6867
209 1LSS NAD 0.000676 0.4798 22.1429
210 1D4O NAP 0.002173 0.44027 22.2826
211 2FKA BEF 0.00163 0.51997 40
212 4L2I FAD 0.0000001119 0.45108 49.0494
213 4L2I NAD 0.000001669 0.45108 49.0494
Pocket No.: 2; Query (leader) PDB : 1O97; Ligand: FAD; Similar sites found: 113
This union binding pocket(no: 2) in the query (biounit: 1o97.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.04395 0.42234 None
2 3EVG SAH 0.002337 0.4619 2.65152
3 4C01 QY9 0.04838 0.41029 2.65152
4 3U31 NAD 0.00001055 0.55884 2.75862
5 3VYW SAM 0.009876 0.42532 2.92208
6 4YGM URA 0.04162 0.42697 3.01724
7 2G30 ALA ALA PHE 0.008059 0.44084 3.10078
8 3EGI ADP 0.0008303 0.5196 3.39806
9 1YXM ADE 0.002727 0.48643 3.40909
10 4DMG SAM 0.00295 0.47345 3.40909
11 5F8F SFG 0.01874 0.42415 3.40909
12 3WDM ADN 0.009507 0.40152 3.44828
13 1KYQ NAD 0.007008 0.44218 3.78788
14 5JJR SAH 0.006243 0.44117 3.78788
15 4ONQ SFG 0.01652 0.42058 3.78788
16 2WSI FAD 0.009339 0.42646 3.92157
17 3EYA FAD 0.000023 0.40604 4.0625
18 5A07 GDP 0.01859 0.43505 4.16667
19 4RDH AMP 0.03113 0.4129 4.16667
20 5MGZ SAH 0.008698 0.43097 4.23729
21 4N49 SAM 0.005636 0.43674 4.375
22 1YBH FAD 0.0009255 0.41391 4.375
23 5GM1 SAH 0.003943 0.43771 4.3771
24 2BOS GLA GAL GLC NBU 0.004333 0.48432 4.41176
25 4YMH SAH 0.0096 0.4259 4.58333
26 1JGT CMA 0.001914 0.43433 4.6875
27 1JGT APC 0.002131 0.42986 4.6875
28 1V59 NAD 0.00401 0.46643 4.81172
29 3H2B SAH 0.03015 0.40507 4.92611
30 3BGD SAH 0.002535 0.44637 5
31 3BGD PM6 0.005371 0.42082 5
32 2HNK SAH 0.002228 0.45559 5.02092
33 4KRI SAH 0.002451 0.45366 5.30303
34 1XNG ATP 0.004019 0.45047 5.30303
35 4XG0 CIT 0.03638 0.41816 5.30303
36 1T9D FAD 0.0000006882 0.53387 5.625
37 1T9D PYD 0.000003108 0.41861 5.625
38 1T9D P25 0.000003195 0.41806 5.625
39 1T9D 1MM 0.000003248 0.41593 5.625
40 2EG5 SAH 0.002243 0.47513 5.68182
41 2J5V PCA 0.03239 0.43098 5.68182
42 2ZIF SAM 0.01199 0.42431 5.68182
43 2JHP SAH 0.01821 0.42157 5.68182
44 2YN4 39J 0.0304 0.43012 5.9322
45 4KRG SAH 0.006037 0.44539 5.9375
46 5F7J ADE 0.02393 0.43774 5.9375
47 4HXY NDP 0.005642 0.41278 5.9375
48 5X62 SAH 0.004038 0.45404 6.06061
49 2HK9 ATR 0.02302 0.43001 6.06061
50 4OBW SAM 0.004996 0.44588 6.22568
51 1S4P GDP 0.009103 0.44767 6.25
52 5TVA AMP 0.0245 0.4249 6.25
53 1WY7 SAH 0.01448 0.41476 6.28019
54 2CHT TSA 0.04318 0.42246 6.29921
55 5THY SAH 0.0274 0.40444 6.43939
56 3LKZ SFG 0.005908 0.43899 6.5625
57 3L9W AMP 0.002267 0.42878 6.5625
58 3L9W GSH 0.003039 0.42865 6.5625
59 3TLJ SAH 0.0153 0.41105 6.5625
60 1L1E SAH 0.00848 0.42843 6.62021
61 4AZT SAM 0.004213 0.44947 6.81818
62 3OFK SAH 0.01907 0.40923 6.94444
63 2UYQ SAM 0.001671 0.50493 7.09677
64 1N2X SAM 0.004591 0.43472 7.19697
65 2VDV SAM 0.003094 0.46793 7.31707
66 1QAN SAH 0.004358 0.43879 7.37705
67 3GU3 SAH 0.00034 0.52861 7.39437
68 3DXY SAM 0.002528 0.47697 7.5
69 3GYQ SAM 0.02606 0.41089 7.72059
70 3EGV SAH 0.01009 0.43434 7.87402
71 4RL4 PPV 0.04523 0.42109 8.01887
72 2DPM SAM 0.002854 0.44724 8.09859
73 3QH2 3NM 0.02313 0.43798 8.1448
74 5MX4 HPA 0.01903 0.43995 8.15451
75 3BBH SFG 0.0172 0.42281 8.29268
76 5HJM MTA 0.001099 0.47376 8.33333
77 2EJU SAH 0.003737 0.452 8.33333
78 3A4T SFG 0.006542 0.43067 8.33333
79 5UDS ATP 0.00002847 0.58647 8.39161
80 5MPT SAH 0.01084 0.42951 8.71212
81 3CQ5 PMP 0.04251 0.42286 8.94309
82 5MF6 7M2 0.000418 0.45839 9.09091
83 5MF6 AR6 0.000418 0.45839 9.09091
84 1VE3 SAM 0.02644 0.41059 9.09091
85 1ZEM NAD 0.01108 0.40985 9.16031
86 1L3I SAH 0.0007013 0.46462 9.375
87 5GZ6 NDP 0.03109 0.40184 9.375
88 4II2 ATP 0.01844 0.41257 9.84848
89 5K7U SAM 0.007643 0.4369 10.2222
90 1P31 EPU 0.03895 0.4023 10.2273
91 1SZD APR 0.0009155 0.43433 10.6061
92 2Q46 NAP 0.02101 0.40238 10.6719
93 5IL1 SAM 0.01029 0.43061 10.8491
94 5ULP KB1 0.008135 0.42077 11.5672
95 2PXX SAH 0.01515 0.41944 11.6279
96 3GDH SAH 0.00309 0.43945 12.0332
97 4BUZ NAD 0.0003645 0.47019 12.1212
98 4BUZ OAD 0.0006834 0.44978 12.1212
99 4BUZ OCZ 0.0006834 0.44978 12.1212
100 1F3L SAH 0.0184 0.40995 12.5
101 3G6K POP 0.009005 0.40675 12.6623
102 3G6K FAD 0.009632 0.40339 12.6623
103 1X87 NAD 0.004471 0.43524 12.8788
104 1KYZ SAH 0.01648 0.42373 12.8788
105 1Y8Q ATP 0.02216 0.40134 13.6364
106 4QTU SAM 0.004641 0.44398 16.2963
107 2OOR TXP 0.001607 0.44299 17.8125
108 5E8J SAH 0.01561 0.43164 18.1818
109 1GPM AMP 0.001541 0.48675 19.697
110 1LSS NAD 0.000676 0.4798 22.1429
111 2FKA BEF 0.00163 0.51997 40
112 4L2I FAD 0.0000001119 0.45108 49.0494
113 4L2I NAD 0.000001669 0.45108 49.0494
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