-->
Receptor
PDB id Resolution Class Description Source Keywords
3IHG 2.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF AKLAVINONE-11 HYDR WITH FAD AND AKLAVINONE STREPTOMYCES PURPURASCENS FLAVOENZYME ANTHRACYCLINE POLYKETIDE BIOSYNTHESIS MEROHEDTWINNING ENZYME MECHANISM HYDROXYLASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION AND SPEC IN AKLAVINONE-11-HYDROXYLASE FROM RHODOMYCIN BIOSYN J.MOL.BIOL. V. 393 966 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:536;
B:536;
C:536;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 A:538;
A:539;
A:540;
A:541;
A:542;
A:543;
A:544;
A:545;
A:546;
B:538;
B:539;
B:541;
B:542;
C:538;
C:539;
C:540;
C:541;
C:542;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
VAK A:537;
B:537;
C:537;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
412.389 C22 H20 O8 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IHG 2.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF AKLAVINONE-11 HYDR WITH FAD AND AKLAVINONE STREPTOMYCES PURPURASCENS FLAVOENZYME ANTHRACYCLINE POLYKETIDE BIOSYNTHESIS MEROHEDTWINNING ENZYME MECHANISM HYDROXYLASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION AND SPEC IN AKLAVINONE-11-HYDROXYLASE FROM RHODOMYCIN BIOSYN J.MOL.BIOL. V. 393 966 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3IHG - VAK C22 H20 O8 CC[C@]1(C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3IHG - VAK C22 H20 O8 CC[C@]1(C[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3IHG - VAK C22 H20 O8 CC[C@]1(C[....
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
Ligand no: 2; Ligand: VAK; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 VAK 1 1
2 3VL 0.59633 0.627119
3 AKY 0.492537 0.616667
4 5VD 0.484211 0.897436
5 AKV 0.411765 0.897436
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IHG; Ligand: FAD; Similar sites found with APoc: 952
This union binding pocket(no: 1) in the query (biounit: 3ihg.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL GLC NBU None
3 4WOE ADP 1.1215
4 5KJW 53C 1.40515
5 1OFL ASG GCD 1.4553
6 5CX6 CDP 1.49533
7 1H6C NDP 1.61663
8 5EES NAP 1.61943
9 5OC1 FAD 1.68224
10 3Q9T FAY 1.68224
11 5NUE NAD 1.68224
12 5NUF NAD 1.68224
13 3KLL MAL 1.68224
14 1E1M FAD 1.73913
15 1E1M NAP 1.73913
16 5YU3 PRO 1.74419
17 5YU3 NAD 1.74419
18 2QRK AMP 1.77665
19 4MDH NAD 1.79641
20 1RYD NDP 1.80879
21 6BQ6 TER 1.81269
22 4EDF UPG 1.82186
23 5WP5 SAH 1.83299
24 1SQF SAM 1.8648
25 1GQ2 NAP 1.86916
26 5H81 NAP 1.86916
27 1GQ2 OXL 1.86916
28 1D1T NAD 1.87668
29 4CJX NAP 1.88088
30 6F3N ADN 1.90678
31 6F3N NAD 1.90678
32 3ABI NAD 1.91781
33 5ZI9 FLC 1.92308
34 1UXG FUM 1.94175
35 1UXG NAD 1.94175
36 6F3M NAD 1.95652
37 5JAQ NAI 1.97044
38 5JE8 NAD 1.98676
39 1N2X SAM 1.99336
40 2R4J FAD 1.99601
41 2R4J 13P 1.99601
42 2IBN I1N 2
43 5A1S FLC 2.00893
44 2ZIF SAM 2.0202
45 1LJ8 NAD 2.0284
46 1M2W NAD 2.0284
47 4YCA NDP 2.04082
48 4YNU FAD 2.05607
49 4YNU LGC 2.05607
50 1X87 NAD 2.05607
51 1VKO NAD 2.05607
52 6G33 5ID 2.0649
53 4DSG UDP 2.06612
54 4DSG FAD 2.06612
55 1R6D DAU 2.07715
56 1R6D NAD 2.07715
57 3FWN ATR 2.08333
58 6D6Y SAH 2.10325
59 4XQC 13D 2.10526
60 2O4C NAD 2.10526
61 4XQC NAD 2.10526
62 3GCZ SAM 2.12766
63 5T67 JHZ 2.16346
64 2RH4 EMO 2.16606
65 4TQG NDP 2.16718
66 5MLR GRQ 2.18978
67 5MLR NAP 2.18978
68 1LTH NAD 2.19436
69 3LU1 NAD 2.1978
70 1EJ0 SAM 2.22222
71 5WP4 SAH 2.24033
72 3X0V FAD 2.24299
73 3UCL CYH 2.24299
74 3UCL FAD 2.24299
75 3UCL NAP 2.24299
76 3PT9 SAH 2.24299
77 1YBH P22 2.24299
78 1T9D 1MM 2.24299
79 1T9D PYD 2.24299
80 1T9D P25 2.24299
81 5WKC FAD 2.24299
82 1YBH FAD 2.24299
83 5WKC TP9 2.24299
84 4D5G FAD 2.24299
85 4D5G TPP 2.24299
86 1T9D FAD 2.24299
87 1VJT NAD 2.27743
88 3S1S SAH 2.2779
89 3GFB NAD 2.28571
90 1U1I NAD 2.29592
91 5WXU FLC 2.29645
92 5ZI2 ADP 2.31884
93 1VI2 NAD 2.33333
94 2IV3 UDP 2.33918
95 2WET FAD 2.34834
96 6FTB M0E 2.38095
97 2Q1S NAI 2.38727
98 3A06 NDP 2.39362
99 4KOA NDP 2.4024
100 2GLX NDP 2.40964
101 2FZW NAD 2.41287
102 3B1F NAD 2.41379
103 5MBX FAD 2.41449
104 5MBX SP5 2.41449
105 2P4Q FLC 2.41449
106 1PZG A3D 2.41692
107 3EF0 ALF 2.41935
108 3GEG NAD 2.42915
109 3NT6 FAD 2.42991
110 3NTA FAD 2.42991
111 3AYI FAD 2.42991
112 3AYI HCI 2.42991
113 2GZ3 NAP 2.42991
114 1ZPD CIT 2.42991
115 1NPD NAD 2.43056
116 3MBI HSX 2.43902
117 5AOA PPI 2.44755
118 2V6G NAP 2.47253
119 1OMO NAD 2.48447
120 3SAO DBH 2.5
121 4FZV SAM 2.51046
122 1HKU NAD 2.51397
123 3T31 FAD 2.51716
124 3T31 DCQ 2.51716
125 1MUU NAD 2.52294
126 1XCL SAH 2.55319
127 5O42 9JW 2.55474
128 5O42 BGC 2.55474
129 5O42 NAD 2.55474
130 3VC1 SAH 2.5641
131 3FUU ADN 2.58303
132 3S5W FAD 2.59179
133 3S5W NAP 2.59179
134 1DJN ADP 2.61682
135 1PS9 FAD 2.61682
136 5DNK SAH 2.61682
137 1PS9 NAP 2.61682
138 4BVA NDP 2.61682
139 4BVA T3 2.61682
140 4LHD GLY 2.61682
141 5BW4 SAM 2.62172
142 4FWE FAD 2.63819
143 3DDN HPV 2.65152
144 3MCT SAH 2.6936
145 2DBZ NAP 2.69461
146 5TOW NAI 2.7027
147 5TOW ADN 2.7027
148 1JQ3 AAT 2.7027
149 2Q1W NAD 2.7027
150 4B1M FRU FRU 2.7027
151 1V8B NAD 2.71399
152 5KOK SAH 2.77078
153 1TPY SAH 2.78746
154 1NC2 DOE 2.7907
155 5UAV TFB 2.79503
156 5UAV NDP 2.79503
157 5J7X FAD 2.80374
158 3C6K SPD 2.80374
159 3C6K MTA 2.80374
160 5MQ6 NDP 2.80374
161 4M37 SAH 2.80374
162 1QXA GLY GLY GLY 2.80374
163 2JJQ SAH 2.82353
164 5UI2 SUC 2.83912
165 2DT5 NAD 2.8436
166 3U4C NDP 2.84698
167 1TDF FAD 2.8481
168 1TDF NAP 2.8481
169 6ECU SAH 2.8481
170 6ECW SAH 2.85714
171 3SSO SAH 2.86396
172 4EUE NAI 2.87081
173 4W6Z 8ID 2.88184
174 5E9W SAH 2.88462
175 3I6I NDP 2.89017
176 2D2I NAP 2.89474
177 5YAP NAI 2.89474
178 5YAP 8S0 2.89474
179 3EVG SAH 2.90909
180 4U8P FDA 2.92398
181 4U8P UDP 2.92398
182 5NA1 FAD 2.94118
183 5THQ NDP 2.94118
184 1P31 EPU 2.94737
185 3C3Y SAH 2.95359
186 3V1Y NAD 2.96736
187 3K5I AIR 2.97767
188 1DLJ NAI 2.98507
189 1DLJ UGA 2.98507
190 1FWV SGA MAG FUC 2.98507
191 2AQJ FAD 2.99065
192 2AQJ TRP 2.99065
193 2ZXI FAD 2.99065
194 1UWK NAD 2.99065
195 1UWK URO 2.99065
196 1EU1 GLC 2.99065
197 4KGD FAD 2.99065
198 4KGD TDP 2.99065
199 4L8V NAP 2.99065
200 4Z0H NAD 2.99401
201 3CMC NAD 2.99401
202 3ETG GLU 2.99401
203 3ETG GTP 2.99401
204 3ETG NDP 2.99401
205 1DSS NAD 3.003
206 5LOG SAH 3.00429
207 6DWI HD4 3.00429
208 1Q1R FAD 3.01624
209 2ZJ1 NAD 3.0303
210 2ZJ1 ARJ 3.0303
211 6BWL NAD 3.04878
212 5Y8L NAD 3.05085
213 1P9P SAH 3.06513
214 4CNK FAD 3.06905
215 2C7G FAD 3.07018
216 2C7G ODP 3.07018
217 3WMX NAD 3.07263
218 5G3U FDA 3.07329
219 5G3U ITW 3.07329
220 3BGD SAH 3.07692
221 2B5W NAP 3.08123
222 5ZBC FAD 3.10421
223 2PT9 2MH 3.11526
224 2PT9 S4M 3.11526
225 3CGB FAD 3.125
226 3DUW SAH 3.13901
227 2XWL CTP 3.13901
228 5UR0 NAD 3.15186
229 2IZ1 ATR 3.16456
230 6A3J NAI 3.17073
231 6A3J SOE 3.17073
232 3NTD FAD 3.17757
233 5GZ6 NDP 3.17757
234 5GZ6 7C3 3.17757
235 4E13 NAD 3.18021
236 4B63 FAD 3.19361
237 4B63 ORN 3.19361
238 4B63 NAP 3.19361
239 5X62 SAH 3.20197
240 5W7M SAH 3.20513
241 3DXY SAM 3.21101
242 3NJ4 NAD 3.21839
243 3NJ4 AFX 3.21839
244 5U19 827 3.22581
245 5U19 SAH 3.22581
246 3B20 NAD 3.24484
247 3HAD NAD 3.24675
248 1UDB NAD 3.25444
249 1UDB UFG 3.25444
250 1RM4 NDP 3.2641
251 1DIG NAP 3.26797
252 4Y9D NAI 3.27869
253 1J0X NAD 3.31325
254 3CGD FAD 3.33333
255 3CGD COA 3.33333
256 3CGD NAD 3.33333
257 1WDK NAD 3.33333
258 1E5Q NDP 3.33333
259 1K3T BRZ 3.34262
260 2HNK SAH 3.34728
261 5ULP KB1 3.35821
262 4D04 FAD 3.36449
263 4D04 NAP 3.36449
264 4AP3 NAP 3.36449
265 4AP3 FAD 3.36449
266 1KEW NAD 3.36449
267 1KEW TYD 3.36449
268 5JY6 NAD 3.37079
269 1F8G NAD 3.38542
270 5FIT AP2 3.40136
271 1KEV NDP 3.4188
272 1VL0 NAI 3.42466
273 1A5Z NAD 3.44828
274 2AE2 NAP 3.46154
275 2AE2 PTO 3.46154
276 1SC6 NAD 3.46535
277 2B4R NAD 3.47826
278 2B4R AES 3.47826
279 5TC4 NAD 3.48101
280 4D7E FAD 3.4965
281 1F8F NAD 3.50404
282 6FP4 E1T 3.51171
283 6FP4 FAD 3.51171
284 5E5U MLT 3.51759
285 2I7C AAT 3.53357
286 4D3F NAP 3.54839
287 1COY FAD 3.5503
288 1COY AND 3.5503
289 4MOP 2H5 3.5514
290 1GPE FAD 3.5514
291 6H3O FAD 3.5514
292 3QVP FAD 3.5514
293 2Q28 ADP 3.5514
294 1YQD NAP 3.55191
295 5ZW3 SAH 3.55556
296 6C4N NAP 3.56347
297 6F97 FAD 3.57815
298 6C4M NAP 3.5865
299 5YF1 SFG 3.59116
300 1SAY PYR 3.60111
301 5MPT SAH 3.62319
302 5LD5 NAD 3.63128
303 1MO9 FAD 3.63289
304 1MO9 KPC 3.63289
305 2VVM FAD 3.63636
306 2VVL FAD 3.63636
307 1GAD NAD 3.63636
308 5JWC FAD 3.64683
309 1PL6 NAD 3.65169
310 1PL6 572 3.65169
311 2VDV SAM 3.65854
312 3HB5 NAP 3.66972
313 4GN8 ASO 3.67893
314 2NVK FAD 3.68852
315 2NVK NAP 3.68852
316 1Q0H NDP 3.69458
317 1Q0H FOM 3.69458
318 3OFK SAH 3.7037
319 1X7D ORN 3.71429
320 1X7D NAD 3.71429
321 1PJS NAD 3.71991
322 1T26 GBD 3.72671
323 1T26 NAI 3.72671
324 4DCM SAM 3.73333
325 4RQU NAD 3.73333
326 4IV9 FAD 3.73832
327 2Z3Y F2N 3.73832
328 5YB7 ORN 3.73832
329 5YB7 FAD 3.73832
330 4C4A SAH 3.73832
331 2A92 NAI 3.73832
332 6ER9 FAD 3.73832
333 6ER9 NAP 3.73832
334 5C9P FUC 3.73832
335 3O7W SAM 3.7415
336 1F06 NDP 3.75
337 1F06 2NP 3.75
338 4RVG TYD 3.75587
339 4RVG SAM 3.75587
340 5E72 SAM 3.75723
341 1NW5 SAM 3.76176
342 2EG5 SAH 3.76344
343 1V59 FAD 3.76569
344 3SQP FAD 3.76569
345 1V59 NAD 3.76569
346 3H8V ATP 3.76712
347 1DL5 SAH 3.78549
348 3QJ4 FAD 3.80117
349 3WLE NAD 3.81232
350 5A1T NAI 3.81232
351 5A1T OXM 3.81232
352 1GR0 NAD 3.81471
353 3RKR NAP 3.81679
354 2FWP CIT 3.82514
355 2FWP ICR 3.82514
356 1KPG SAH 3.83275
357 1KPH SAH 3.83275
358 5A04 NDP 3.83481
359 5A04 BGC 3.83481
360 5AHO TLA 3.86905
361 4GKV NAD 3.86905
362 3VPH OXM 3.87097
363 3VPH NAD 3.87097
364 4PLG NAI 3.89222
365 4PLG OXM 3.89222
366 6FDF SAH 3.89222
367 1HDG NAD 3.91566
368 4J56 FAD 3.92523
369 1NAA ABL 3.92523
370 1NAA 6FA 3.92523
371 3UOY NAP 3.92523
372 3UOY FAD 3.92523
373 4Z24 FAD 3.92523
374 6EL3 NAP 3.93701
375 2HJR APR 3.96341
376 6AA8 NAD 3.97351
377 2IVD FAD 3.9749
378 4NBU NAI 4
379 3G89 SAM 4.01606
380 3LST SAH 4.02299
381 1H82 FAD 4.02542
382 1H82 GZZ 4.02542
383 3GDN HBX 4.03071
384 3GDN FAD 4.03071
385 2WPF WPF 4.0404
386 2WPF FAD 4.0404
387 3G5S FAD 4.06321
388 1ZK7 FAD 4.06852
389 1RSG FAD 4.06977
390 2GN4 NDP 4.06977
391 2GN4 UD1 4.06977
392 2YYY NAP 4.08163
393 2JB2 FAD 4.08998
394 2JB2 PHE 4.08998
395 1YY5 FAD 4.09357
396 2CDC XYP 4.09836
397 2CDC XYS 4.09836
398 1HDR NAD 4.09836
399 2CDC NAP 4.09836
400 4TXI FAD 4.11215
401 4MIG G3F 4.11215
402 1REO FAD 4.11523
403 5TS5 FAD 4.13223
404 3U31 NAD 4.13793
405 5E1M SAH 4.14938
406 4YAG NAI 4.15225
407 3AB1 FAD 4.16667
408 3L4S NAD 4.16667
409 3L4S 3PG 4.16667
410 4KWI NAP 4.18251
411 4KWI 1TJ 4.18251
412 3DAG FEG 4.18994
413 5GSN FAD 4.19426
414 5GSN NAP 4.19426
415 5GSN MMZ 4.19426
416 1GET NAP 4.22222
417 1GET FAD 4.22222
418 1G60 SAM 4.23077
419 5J5Z FAD 4.23387
420 4REP FAD 4.24242
421 2VHW NAI 4.24403
422 2RI1 GLP 4.25532
423 5O9F 9ON 4.26136
424 5O9F NAD 4.26136
425 4OBW SAM 4.28016
426 5Z75 NAD 4.28135
427 1GY8 NAD 4.28212
428 1LSS NAD 4.28571
429 4M52 FAD 4.29185
430 4M52 M52 4.29185
431 5UAO FAD 4.29907
432 5JJR SAH 4.29907
433 3WQQ IB3 4.30328
434 3WQQ NDP 4.30328
435 3GD4 NAD 4.30528
436 3GD4 FAD 4.30528
437 2A8X FAD 4.31034
438 3CBG SAH 4.31034
439 4J1Q NDP 4.31034
440 3MB5 SAM 4.31373
441 4D79 ATP 4.34783
442 1J5P NAD 4.34783
443 5FA8 SAM 4.34783
444 2HQM FAD 4.38413
445 5TUK FAD 4.41176
446 4YKG FAD 4.41459
447 4YKG NAD 4.41459
448 2YG3 FAD 4.41501
449 4USQ FAD 4.43213
450 1RYI GOA 4.45026
451 1RYI FAD 4.45026
452 3FG2 FAD 4.45545
453 3GGO NAI 4.4586
454 3GGO ENO 4.4586
455 4BV6 FAD 4.46247
456 5NMX NAP 4.47059
457 5NMX FAD 4.47059
458 5XNC MTA 4.48598
459 4ZRN UPG 4.48718
460 2YY7 NAD 4.48718
461 4ZRN NAD 4.48718
462 4RDH AMP 4.51389
463 4RDI ATP 4.51389
464 2RAB NAD 4.53564
465 2RAB FAD 4.53564
466 4EA7 COA 4.54545
467 4EA7 JB2 4.54545
468 5HJM MTA 4.54545
469 3TLJ SAH 4.55764
470 5U8U FAD 4.5738
471 2DFV NAD 4.61095
472 2IID FAD 4.61847
473 2IID PHE 4.61847
474 1YJQ NAP 4.62046
475 6DNT NAD 4.65116
476 5BUK FAD 4.66667
477 1KNR FAD 4.6729
478 1H5R THM 4.6729
479 3LKZ SFG 4.6729
480 4N49 SAM 4.6729
481 5KVA SAM 4.67626
482 4G5H UD7 4.6832
483 4G5H NAP 4.6832
484 5OJL TXP 4.69799
485 3DMH GMP 4.72441
486 3DMH SAM 4.72441
487 4JZ8 CIT 4.73186
488 1CF2 NAP 4.74777
489 4KIB SAH 4.7619
490 4BG4 ADP 4.77528
491 3ORF NAD 4.78088
492 4XZ3 COA 4.78261
493 1UP7 NAD 4.79616
494 1J49 NAD 4.8048
495 1DCP HBI 4.80769
496 5G48 1FL 4.81283
497 3LAD FAD 4.83193
498 1P1C SAH 4.85981
499 1O0S NAI 4.85981
500 5M77 7K2 7K3 4.85981
501 1LDM NAD 4.86322
502 5DM1 SAH 4.86891
503 5DM1 5D7 4.86891
504 3GF4 UPG 4.87179
505 3GF4 FAD 4.87179
506 2E5V FAD 4.87288
507 4MCC 21X 4.87805
508 5ZYN FAD 4.88323
509 5DLY 5D7 4.88722
510 5DLY SAH 4.88722
511 5TUF TDC 4.88998
512 5TUF FAD 4.88998
513 2CVQ NDP 4.89297
514 3QDX A2G GAL 4.8951
515 3QDT A2G GAL 4.8951
516 1FEC FAD 4.89796
517 4KP7 NAP 4.91803
518 4KP7 1UQ 4.91803
519 2NPX FAD 4.9217
520 2NPX NAD 4.9217
521 4ZGS NAD 4.92228
522 1LLU NAD 4.97076
523 2G5C NAD 4.98221
524 1I9G SAM 5
525 1Q0S SAH 5.01931
526 1KOL NAD 5.02513
527 2BGM NAJ 5.03597
528 2PWY SAH 5.03876
529 4M73 SAH 5.04451
530 4M73 M72 5.04451
531 5HSA FAS 5.04673
532 1QMG APX 5.04673
533 1CT9 AMP 5.04673
534 1RM0 D6P 5.06567
535 1RM0 NAI 5.06567
536 2PEL LBT 5.08475
537 5TTJ FAD 5.10204
538 2FR1 NDP 5.14403
539 4MO2 FDA 5.16304
540 4MO2 FAD 5.16304
541 1B8U NAD 5.16717
542 2BZG SAH 5.17241
543 5AYV KPL 5.17799
544 5AYV NAP 5.17799
545 3ZNN FAD 5.18732
546 3ZNN 4WL 5.18732
547 3WGT FAD 5.18732
548 3WGT QSC 5.18732
549 1ZBQ NAD 5.19878
550 5ERG SAM 5.22193
551 5TWB FAD 5.23256
552 5FJN FAD 5.26316
553 5FJN BE2 5.26316
554 5X9D 80F 5.26316
555 1IM8 SAI 5.32787
556 1GZ6 NAI 5.32915
557 3EGI ADP 5.33981
558 4XB2 NDP 5.37313
559 4XB2 HSE 5.37313
560 1ELI PYC 5.39846
561 5VN0 NAI 5.40541
562 5VN0 FAD 5.40541
563 4HA6 FAD 5.42056
564 3B6R ADP 5.42056
565 3LZW NAP 5.42169
566 3LZW FAD 5.42169
567 5U5G NAP 5.42373
568 3OID TCL 5.42636
569 4YRY NAD 5.43478
570 4YRY FAD 5.43478
571 2RGO FAD 5.43657
572 1LVL FAD 5.45852
573 1LVL NAD 5.45852
574 1KYQ NAD 5.47445
575 1HYH NAD 5.50162
576 1MV8 NAD 5.50459
577 1XTP SAI 5.51181
578 3HDY FDA 5.54156
579 3HDY GDU 5.54156
580 3HDY FAD 5.54156
581 3QWI NAP 5.55556
582 3QWI CUE 5.55556
583 1H2B NAJ 5.57103
584 3WBF NAP 5.57377
585 3WBF API 5.57377
586 1NVT NAP 5.57491
587 2VT3 ATP 5.5814
588 2RGH FAD 5.6042
589 1GZ4 ATP 5.60748
590 2PZM NAD 5.60748
591 2PZM UDP 5.60748
592 4EMI NAD 5.60976
593 4EMI FAD 5.60976
594 1O6Z NAD 5.61056
595 1ZQ9 SAM 5.61404
596 1CDO NAD 5.61497
597 1BXG NAD 5.61798
598 1BW9 NAD 5.61798
599 1C1X NAD 5.6338
600 1C1X HFA 5.6338
601 1C1D PHE 5.6338
602 4ZCC NAI 5.65476
603 4ZCC FAD 5.65476
604 3RGG AIR 5.66038
605 2FK8 SAM 5.66038
606 2NU8 COA 5.6701
607 1YQZ FAD 5.70776
608 1I8T FAD 5.72207
609 2XYQ SAH 5.7377
610 1PR9 NAP 5.7377
611 3D3W NAP 5.7377
612 6GAS FAD 5.74018
613 4X9M FAD 5.74163
614 3ICS FAD 5.78231
615 3ICR FAD 5.78231
616 3ICT FAD 5.78231
617 6GNC FAD 5.78231
618 3ICT ADP 5.78231
619 3ICS ADP 5.78231
620 1SOW NAD 5.79268
621 1GTE FAD 5.79439
622 3AXB PRO 5.79439
623 3AXB FAD 5.79439
624 1QO8 FAD 5.79439
625 5Z20 NAI 5.7971
626 2AF6 BRU 5.81395
627 1OBB NAD 5.83333
628 4C3Y FAD 5.84906
629 4C3Y ANB 5.84906
630 1E3I CXF 5.85106
631 5OVK NDP 5.85938
632 3MAG SAH 5.86319
633 3NKS FAD 5.87002
634 2P69 PLP 5.88235
635 1ZH8 NAP 5.88235
636 6GNA FAD 5.90278
637 5FUB SAH 5.93472
638 1JG3 ADN 5.95745
639 4OPC PGT 5.96026
640 4OPC FDA 5.96026
641 1EZ4 NAD 5.97484
642 2GMH FAD 5.98131
643 1Z45 NAD 5.98131
644 4UP4 NDG 5.98504
645 4UP4 NAG 5.98504
646 1XHC FAD 5.99455
647 4POO SAM 6
648 4X60 3XV 6
649 4X60 SFG 6
650 5N6C NAD 6
651 3BAZ NAP 6.00601
652 4RPL FAD 6.01504
653 4RPL 3UC 6.01504
654 3K7M FAD 6.03248
655 2XVE FAD 6.03448
656 2XVF FAD 6.03448
657 2PV7 NAD 6.04027
658 4E5N NAD 6.06061
659 2EV9 NAP 6.08365
660 2EV9 SKM 6.08365
661 2EJU SAH 6.08466
662 2F1K NAP 6.09319
663 6F7L FAD 6.1086
664 4JDR FAD 6.11814
665 5I39 FAD 6.12745
666 1EBF NAD 6.14525
667 2AOT SAH 6.16438
668 1JQD SAH 6.16438
669 2HK9 NAP 6.18182
670 2HK9 ATR 6.18182
671 3F8D FAD 6.19195
672 5N5D SAM 6.19469
673 3P2E SAH 6.22222
674 2I3G NAP 6.25
675 5TVA AMP 6.25
676 3LXD FAD 6.26506
677 6FHO FAD 6.26566
678 1WG8 SAM 6.31579
679 3HVJ 705 6.33484
680 2B9W FAD 6.36792
681 4USR FAD 6.37119
682 3LCC SAH 6.38298
683 3N8K D1X 6.39535
684 4YSX FAD 6.41026
685 1GV0 NAD 6.45161
686 1GUZ NAD 6.45161
687 2QGI UDP 6.45161
688 5M67 ADE 6.47182
689 5M67 NAD 6.47182
690 5M67 3D1 6.47182
691 3KC1 2T6 6.52819
692 2Y6Q I7T 6.53266
693 2Y6Q FAD 6.53266
694 6CEP NAD 6.54206
695 6CEP OXM 6.54206
696 2O07 SPD 6.57895
697 2O07 MTA 6.57895
698 1VM6 NAD 6.57895
699 6GAR FAD 6.59026
700 1R18 SAH 6.60793
701 2CDU FAD 6.63717
702 2CDU ADP 6.63717
703 4PLT NAI 6.64653
704 4PLT OXM 6.64653
705 1JNR FAD 6.66667
706 4QTU SAM 6.66667
707 1U3U NAD 6.68449
708 1U3U BNF 6.68449
709 4KRI SAH 6.69746
710 2Q7V FAD 6.76923
711 1Q9I TEO 6.83012
712 1Q9I FAD 6.83012
713 2AG8 NAP 6.84411
714 1C0I FAD 6.88705
715 1C0I BE2 6.88705
716 3QFA FAD 6.89655
717 1OC2 NAD 6.89655
718 1OC2 TDX 6.89655
719 4OOE FOM 6.91589
720 4OOE NDP 6.91589
721 3A4T SFG 6.93431
722 1Y8Q ATP 6.93642
723 1CER NAD 6.94864
724 3ESS 18N 6.95652
725 4CQM NAP 6.96721
726 1E6E FAD 7.03125
727 5WGR FAD 7.1028
728 1NXJ TLA 7.10383
729 5NII FAD 7.11974
730 5UFN SAH 7.14286
731 6ARJ BW4 7.16332
732 5DX1 SFG 7.16332
733 5DWQ SFG 7.16332
734 5DXA SFG 7.16332
735 6ARJ SAH 7.16332
736 5DX8 SFG 7.16332
737 5DX0 SFG 7.16332
738 1H5Q NAP 7.16981
739 3OND NAD 7.17213
740 3OND ADN 7.17213
741 1O94 ADP 7.1875
742 4YT4 FE9 7.2
743 3CTY FAD 7.21003
744 2JHF NAD 7.21925
745 4II2 ATP 7.22892
746 5FPE 3TR 7.23514
747 4YUW S4M 7.23684
748 4YUW 4JU 7.23684
749 5V6F MAN BMA MAN 7.24638
750 1ZEM NAD 7.25191
751 5JE0 AZ8 7.28745
752 5JE0 SAH 7.28745
753 4BJZ FAD 7.31132
754 4BJZ P3A 7.31132
755 5CIC 51R 7.40741
756 1FL2 FAD 7.41935
757 5J60 FAD 7.5
758 4YMH SAH 7.5
759 4ONQ SFG 7.56302
760 1BXK NAD 7.60563
761 3NYC FAD 7.61155
762 3NYC IAR 7.61155
763 2VTD LKM 7.64045
764 6DUB SAH 7.65766
765 1V6A TRE 7.66355
766 2F5X ASP 7.69231
767 1X14 NAD 7.73067
768 6B92 SAH 7.82313
769 2P41 SAH 7.86885
770 1YS4 NAP 7.9096
771 5MIT FAD 7.95107
772 5MIT NAP 7.95107
773 5EVY FAD 7.99087
774 1L1E SAH 8.01394
775 3KLJ FAD 8.05195
776 4HSU FAD 8.06452
777 4GUT FAD 8.06452
778 4GUS FAD 8.06452
779 5OFW 9TW 8.07175
780 2GAG NAD 8.08081
781 2GAG FAD 8.08081
782 2GAG FOA 8.08081
783 5K4W THR 8.09969
784 5K4W NAI 8.09969
785 1NYT NAP 8.11808
786 3GRU AMP 8.13559
787 2CUL FAD 8.18966
788 1W8D NAP 8.2243
789 1W73 NAP 8.2243
790 1EK6 NAI 8.2243
791 1EK6 UPG 8.2243
792 1W6U NAP 8.2243
793 4Y30 SAH 8.26211
794 4Y30 49L 8.26211
795 3ITJ FAD 8.28402
796 3ITJ CIT 8.28402
797 4RSL FAD 8.31461
798 4NEC SAH 8.33333
799 5KKA 6V0 8.33333
800 2GND MAN 8.33333
801 2Q0L FAD 8.36013
802 2Q0L NAP 8.36013
803 5IDM C2E 8.37989
804 4AT0 FAD 8.43137
805 5K0A FAD 8.48485
806 5F8F SFG 8.48806
807 3QV1 NAD 8.53659
808 1P0F NAP 8.57909
809 3X0D SAH 8.59813
810 3RJ5 NAD 8.66142
811 6C4T NA7 8.66667
812 4XUC 43G 8.7156
813 4XUC SAM 8.7156
814 4OM8 NAD 8.73786
815 2EWM NAD 8.83534
816 5OCM NAP 8.93471
817 2CVZ NDP 8.99654
818 1WP4 NDP 8.99654
819 2HMT NAI 9.02778
820 6FLZ MMA 9.02778
821 3AD8 NAD 9.09091
822 3AD8 FAD 9.09091
823 3AD8 PYC 9.09091
824 5E8J SAH 9.09091
825 1LDN NAD 9.17722
826 6F9Q NAD 9.19118
827 5Z21 NAI 9.21788
828 4KRG SAH 9.22747
829 5N53 8NB 9.23077
830 4LWP SAH 9.23913
831 5EIN NAP 9.25926
832 4R6W PC 9.30233
833 4R6W SAH 9.30233
834 3NDJ JHZ 9.375
835 3NDJ SAH 9.375
836 2NXE SAM 9.44882
837 1G0N NDP 9.54064
838 1G0N PHH 9.54064
839 4B4U NAP 9.57096
840 5T9E NAP 9.5941
841 1L7E NAI 9.63542
842 1NM5 NAD 9.63542
843 2OOR NAD 9.63542
844 1F3L SAH 9.65732
845 6GKV SAH 9.68661
846 3T7S SAM 9.70149
847 6F5Z SAH 9.83607
848 1VDC FAD 9.90991
849 1U7T TDT 9.96169
850 3H9E NAD 10.1156
851 1QAN SAH 10.2459
852 1QCI ADE 10.3053
853 1L5Y BEF 10.3226
854 1UAY ADN 10.3306
855 4UP3 FAD 10.5096
856 4UP3 NDP 10.5096
857 2DTX BMA 10.6061
858 1RJW ETF 10.6195
859 1R37 NAD 10.6628
860 1MAI I3P 10.687
861 5N2I NAP 10.7759
862 4J4H 1J1 10.8108
863 4J4H NAI 10.8108
864 4JK3 NAD 10.8108
865 3H2B SAH 10.8374
866 1BZL GCG 10.9053
867 1BZL FAD 10.9053
868 1UZN NAP 10.9312
869 1L3I SAH 10.9375
870 2VYN NAD 11.0778
871 2YVF NAD 11.2745
872 2YVF FAD 11.2745
873 2YVJ FAD 11.2745
874 2YVJ NAI 11.2745
875 1C3X 8IG 11.2782
876 4IWN GEK 11.3537
877 1EDO NAP 11.4754
878 1LUA NAP 11.4983
879 6CI9 F3V 11.9691
880 5JCA NDP 11.9718
881 5JCA FAD 11.9718
882 4ZVV GN0 12.0482
883 4ZVV NAD 12.0482
884 9LDT NAD 12.0482
885 9LDB NAD 12.0482
886 4YAC NAI 12.1212
887 3BXO SAM 12.1339
888 4JLS 3ZE 12.5
889 4JJF FE9 12.7907
890 4JJF N2I 12.7907
891 6ACS CIT 12.7907
892 3CIF NAD 13.3705
893 3CIF G3H 13.3705
894 5ZZ6 NAD 13.4615
895 5ZZ6 ADP 13.4615
896 4NTD FAD 13.5294
897 5ODQ FAD 13.587
898 1D4D FAD 13.8112
899 2DC1 NAD 13.9831
900 3E81 SLB 14.0244
901 5CAE COA 14.1772
902 1XDS SAM 15.2406
903 1QZZ SAM 15.508
904 3RNM FAD 15.5172
905 6A0S HSE 15.6627
906 6A0S NDP 15.6627
907 3B1J NAD 16
908 1SB8 NAD 16.4773
909 1SB8 UD2 16.4773
910 1P77 ATR 16.5441
911 5DF1 NAP 16.5761
912 5DF1 58X 16.5761
913 3GMB FAD 16.8675
914 4MP8 MLI 17.1091
915 4MP8 NAD 17.1091
916 3E1T FAD 17.3828
917 1NVM NAD 17.6282
918 4J36 1HR 17.8313
919 4J36 FAD 17.8313
920 5YEC ATP 18.4874
921 1YKJ PHB 18.5279
922 1YKJ FAD 18.5279
923 5W97 CHD 19.1489
924 4D42 NAP 19.1489
925 4D42 W0I 19.1489
926 5X68 FAD 20.2046
927 2F5Z FAD 20.3125
928 3OZ2 FAD 20.403
929 2RGJ FAD 22.6368
930 1NV8 MEQ 24.2958
931 1NV8 SAM 24.2958
932 4GQB 0XU 27.2727
933 4M38 SAH 28.5714
934 5FA5 MTA 30
935 2DKH FAD 30.6542
936 2DKH 3HB 30.6542
937 3GDH SAH 30.7054
938 2QA1 FAD 31.028
939 1PN0 IPH 32.3364
940 1PN0 FAD 32.3364
941 5L95 AMP 32.5
942 5EOW FAD 32.5926
943 5HXI FAD 32.7177
944 5HXI 5HN 32.7177
945 5Y77 FAD 33.4038
946 5KOX FAD 35.084
947 5KOX RFP 35.084
948 5MZI FAD 35.141
949 5MZI FYK 35.141
950 5BVA FAD 36.1858
951 4K5S FAD 41.791
952 4K5S PM0 41.791
Pocket No.: 2; Query (leader) PDB : 3IHG; Ligand: VAK; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 3ihg.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4EIL FOL 2.05607
2 5AOA PPI 2.44755
3 5J3Z 6FQ 2.73438
4 4CNK MEU 3.06905
5 4GN8 ASO 3.67893
6 1G8S MET 3.91304
7 2QL9 CIT 4.12371
8 1DZT TPE 4.37158
9 1OFZ FUL 5.12821
10 1FHX 4IP 5.42636
11 3FU7 D2M 6.16822
12 2F9W PAU 7.01107
13 2ZCQ B65 7.50853
14 5EVY SAL 7.99087
15 1MFA GLA MMA ABE 8.66142
16 4GYS MLI 9.82287
17 4J36 1HR 17.8313
18 4J36 FAD 17.8313
19 1YKJ PHB 18.5279
20 5KOX RFP 35.084
21 5KOX FAD 35.084
22 5MZI FAD 35.141
23 5MZI FYK 35.141
Pocket No.: 3; Query (leader) PDB : 3IHG; Ligand: FAD; Similar sites found with APoc: 57
This union binding pocket(no: 3) in the query (biounit: 3ihg.bio3) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1KYZ SAH 1.09589
2 1P9B HDA 1.13122
3 1U8X NAD 1.27119
4 5MDH NAD 1.8018
5 1T9D P22 2.24299
6 2JC9 ADN 2.24299
7 3UDG TMP 2.32558
8 2X1L ADN 2.48092
9 4D86 ADP 2.6506
10 2OUA AES 2.65957
11 3Q3C NAD 2.67559
12 3KB6 NAD 2.69461
13 5VCM UDP 2.86396
14 3NGL NAP 2.89855
15 1VBH PEP 2.99065
16 4M1U A2G MBG 3.0303
17 3PGU OLA 3.0445
18 5Y8L HUI 3.05085
19 4SGA ACE PRO ALA PRO PHE 3.31492
20 4DPL NAP 3.34262
21 4AGS GSH 3.39703
22 1T3D CYS 3.46021
23 2PYU IMP 3.65297
24 4JGP PYR 3.68664
25 2NZ2 ASP 3.87409
26 2D09 FLV 3.9312
27 1ZGS XMM 4.25056
28 1ZGA SAH 4.48179
29 4ISS TAR 4.48598
30 1KJ8 GAR 4.60358
31 2VSS ACO 4.71014
32 3L6C MLI 5.01475
33 4TQK NAG 5.04673
34 5MB4 NDG 5.23691
35 3B6O TMP 5.26316
36 2BOI MFU 5.30973
37 1GVF PGH 5.59441
38 2IDV M7G 5.64972
39 1SJD NPG 5.70652
40 2XZ9 PYR 6.17284
41 2GNK ATP 6.25
42 1VRP ADP 6.29921
43 4YMZ 13P 6.3745
44 5XVH NAP 6.53595
45 5F1V 3VN 6.73401
46 6A46 DCM 7.03125
47 5MGZ SAH 7.62712
48 5CSS G3P 7.9646
49 2X61 CH 8.13953
50 4KXQ APR 8.54093
51 3RFV NAI 8.98876
52 2EB5 OXL 9.3633
53 2NSJ C2R 12.426
54 1JAY NAP 12.7358
55 43CA NPO 14.5299
56 1V1A ADP 15.2104
57 1APZ ASP 20.3704
Pocket No.: 4; Query (leader) PDB : 3IHG; Ligand: VAK; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 3ihg.bio3) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3WXL ADP 1.9305
Pocket No.: 5; Query (leader) PDB : 3IHG; Ligand: VAK; Similar sites found with APoc: 7
This union binding pocket(no: 5) in the query (biounit: 3ihg.bio1) has 19 residues
No: Leader PDB Ligand