-->
Receptor
PDB id Resolution Class Description Source Keywords
5BRT 2.3 Å EC: 1.14.13.44 CRYSTAL STRUCTURE OF 2-HYDROXYBIPHENYL 3-MONOOXYGENASE FROM PSEUDOMONAS AZELAICA WITH 2-HYDROXYBIPHENYL IN THE ACTIVE S PSEUDOMONAS NITROREDUCENS HBP1 FLAVIN DEPENDENT OXYGENASE OXIDOREDUCTASE
Ref.: A CRYSTAL STRUCTURE OF 2-HYDROXYBIPHENYL 3-MONOOXYG WITH BOUND SUBSTRATE PROVIDES INSIGHTS INTO THE ENZ MECHANISM. BIOCHIM.BIOPHYS.ACTA V.1854 1906 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CH9 A:602;
B:602;
Valid;
Valid;
none;
none;
submit data
170.207 C12 H10 O c1ccc...
FAD B:601;
A:601;
Valid;
Valid;
none;
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
5BRT 2.3 Å EC: 1.14.13.44 CRYSTAL STRUCTURE OF 2-HYDROXYBIPHENYL 3-MONOOXYGENASE FROM PSEUDOMONAS AZELAICA WITH 2-HYDROXYBIPHENYL IN THE ACTIVE S PSEUDOMONAS NITROREDUCENS HBP1 FLAVIN DEPENDENT OXYGENASE OXIDOREDUCTASE
Ref.: A CRYSTAL STRUCTURE OF 2-HYDROXYBIPHENYL 3-MONOOXYG WITH BOUND SUBSTRATE PROVIDES INSIGHTS INTO THE ENZ MECHANISM. BIOCHIM.BIOPHYS.ACTA V.1854 1906 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Z2T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5BRT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4Z2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4Z2U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4CY8 - FDA C27 H35 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 1 families.
1 4Z2T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5BRT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4Z2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4Z2U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4CY8 - FDA C27 H35 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 1 families.
1 4Z2T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5BRT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4Z2R - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4Z2U - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4CY8 - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CH9; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CH9 1 1
2 5VL 0.517241 0.888889
3 BPY 0.473684 0.8
4 AUV 0.413043 0.761905
Ligand no: 2; 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 : 5BRT; Ligand: FAD; Similar sites found with APoc: 1007
This union binding pocket(no: 1) in the query (biounit: 5brt.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1C4Q GLA GAL BGC None
2 4YNU LGC 1.05079
3 4YNU FAD 1.05079
4 4D5G FAD 1.19454
5 4D5G TPP 1.19454
6 2ZJ1 NAD 1.21212
7 2ZJ1 ARJ 1.21212
8 3X0V FAD 1.2939
9 2RAB NAD 1.2959
10 2RAB FAD 1.2959
11 5ZBC FAD 1.33038
12 5OJL TXP 1.34228
13 1FDJ 2FP 1.37741
14 4E13 NAD 1.41343
15 5G3U FDA 1.41844
16 5G3U ITW 1.41844
17 4TSK NDP 1.42857
18 3BJE R1P 1.43266
19 4XDZ NDP 1.45773
20 1G55 SAH 1.45773
21 3V1Y NAD 1.48368
22 5ZYN FAD 1.4862
23 2YX1 SFG 1.4881
24 3CMC NAD 1.49701
25 4Z0H NAD 1.49701
26 1U1I NAD 1.53061
27 1OMO NAD 1.5528
28 1ZGS XMM 1.566
29 1A5Z NAD 1.5674
30 3ULK NDP 1.62933
31 4Y9D NAI 1.63934
32 4CP8 MLI 1.64271
33 1REO FAD 1.64609
34 5TS5 FAD 1.65289
35 5LD5 NAD 1.67598
36 1RM0 NAI 1.68856
37 1RM0 D6P 1.68856
38 5EB4 FAD 1.69173
39 1SB8 UD2 1.70455
40 1SB8 NAD 1.70455
41 5JJR SAH 1.70648
42 3QVP FAD 1.71527
43 2X1L ADN 1.71756
44 5UR0 NAD 1.7192
45 2BZG SAH 1.72414
46 1KPG SAH 1.74216
47 6DNT NAD 1.74419
48 3GD4 FAD 1.76125
49 3GD4 NAD 1.76125
50 1UWK URO 1.79533
51 1UWK NAD 1.79533
52 4KOA NDP 1.8018
53 4O48 ASP 1.80723
54 2WPF FAD 1.81818
55 2WPF WPF 1.81818
56 2D2I NAP 1.84211
57 5D4V SAH 1.86567
58 1OBB NAD 1.875
59 2Z3Y F2N 1.87713
60 2R4J FAD 1.87713
61 2R4J 13P 1.87713
62 1V8B NAD 1.87891
63 5BJX UDP 1.91257
64 5BJX NAD 1.91257
65 3GDN HBX 1.91939
66 3GDN FAD 1.91939
67 1C0I BE2 1.92837
68 1C0I FAD 1.92837
69 4KRG SAH 1.93133
70 3L9W AMP 1.93705
71 3L9W GSH 1.93705
72 3L9W FMN 1.93705
73 5OC1 FAD 1.9469
74 1BXK NAD 1.97183
75 5GSN FAD 1.98676
76 5GSN NAP 1.98676
77 5GSN MMZ 1.98676
78 4B63 NAP 1.99601
79 4B63 ORN 1.99601
80 4B63 FAD 1.99601
81 1VI2 NAD 2
82 6GN6 MAL 2.01342
83 5ZXD ATP 2.01465
84 5WP4 SAH 2.03666
85 1FEC FAD 2.04082
86 1BZL GCG 2.05761
87 1BZL FAD 2.05761
88 1CF2 NAP 2.07715
89 1NPD NAD 2.08333
90 4FZV SAM 2.09205
91 9LDT NAD 2.10843
92 9LDB NAD 2.10843
93 2JJQ SAH 2.11765
94 6F3N ADN 2.11864
95 6F3N NAD 2.11864
96 1ZBQ NAD 2.14067
97 6F3M NAD 2.17391
98 6A3J NAI 2.19512
99 4KVL PLM 2.21843
100 2VAR AMP 2.23642
101 3T7S SAM 2.23881
102 5WP5 SAH 2.24033
103 1ZGA SAH 2.2409
104 4OM8 NAD 2.26537
105 5XVH NAP 2.28758
106 3RKR NAP 2.29008
107 5M67 ADE 2.29645
108 5M67 NAD 2.29645
109 5M67 3D1 2.29645
110 6AA8 NAD 2.31788
111 3K7M FAD 2.32019
112 3A25 SAM 2.32558
113 4M37 SAH 2.33236
114 5KVS NAP 2.33766
115 3FPF TNA 2.34899
116 3FPF MTA 2.34899
117 3MB5 SAM 2.35294
118 1RJW ETF 2.35988
119 6EL3 NAP 2.3622
120 3C6K MTA 2.3622
121 3C6K SPD 2.3622
122 1RM4 NDP 2.37389
123 2C29 NAP 2.37389
124 4ZCC FAD 2.38095
125 4ZCC NAI 2.38095
126 3PT9 SAH 2.38908
127 4PIV NDP 2.38908
128 3H8V ATP 2.39726
129 2AOT SAH 2.39726
130 5OCM NAP 2.4055
131 1KNR FAD 2.40741
132 1KPH SAH 2.43902
133 5Z75 NAD 2.44648
134 1IM8 SAI 2.45902
135 1QAN SAH 2.45902
136 5GWX SAR 2.46479
137 5GWX SAM 2.46479
138 4C2G ALA ALA ALA ALA 2.46637
139 4EIL UMP 2.4735
140 3GCZ SAM 2.48227
141 4TM3 FAD 2.48307
142 5YF1 SFG 2.48619
143 1LTH NAD 2.50784
144 1HKU NAD 2.51397
145 2FK8 SAM 2.51572
146 5DNK SAH 2.52708
147 1YS4 NAP 2.54237
148 2RI1 GLP 2.55319
149 1YKF NAP 2.55682
150 3AYI FAD 2.55973
151 3AYI HCI 2.55973
152 4MIG G3F 2.55973
153 5W7M SAH 2.5641
154 3IWK NAD 2.58449
155 4ZGS NAD 2.59067
156 1F8G NAD 2.60417
157 1L7E NAI 2.60417
158 3MAG SAH 2.60586
159 1E1M FAD 2.6087
160 1E1M NAP 2.6087
161 3NTA FAD 2.61324
162 3NT6 FAD 2.61324
163 5MBX FAD 2.61569
164 5MBX SP5 2.61569
165 2O07 MTA 2.63158
166 2O07 SPD 2.63158
167 6F97 FAD 2.63653
168 1M2W NAD 2.63692
169 1LJ8 NAD 2.63692
170 4B4U NAP 2.64026
171 2EJU SAH 2.6455
172 3NTD FAD 2.65487
173 5GT9 NAP 2.6616
174 4OSP NAP 2.6616
175 2NZ2 ASP 2.66344
176 4L8V NAP 2.67062
177 3G2O SAM 2.67559
178 5AHO TLA 2.67857
179 5G6U TRP 2.68199
180 1FP1 SAH 2.68817
181 3DUW SAH 2.69058
182 3BGD SAH 2.69231
183 4YAC NAI 2.6936
184 3MCT SAH 2.6936
185 4RSL FAD 2.69663
186 4YCA NDP 2.72109
187 4REP FAD 2.73038
188 4MOP 2H5 2.73038
189 1PS9 FAD 2.73038
190 1GPE FAD 2.73038
191 1DJN ADP 2.73038
192 6H3O FAD 2.73038
193 1PS9 NAP 2.73038
194 3WMX NAD 2.73038
195 3T31 DCQ 2.746
196 3T31 FAD 2.746
197 2V6G NAP 2.74725
198 4G5H NAP 2.75482
199 4G5H UD7 2.75482
200 4HA6 FAD 2.75591
201 3AB1 FAD 2.77778
202 4TQG NDP 2.78638
203 1NVT NAP 2.78746
204 3UCL NAP 2.79232
205 3UCL CYH 2.79232
206 3UCL FAD 2.79232
207 2PT9 S4M 2.80374
208 5K4W NAI 2.80374
209 5JY6 NAD 2.80899
210 1O5I NAD 2.81124
211 2NVK FAD 2.86885
212 2NVK NAP 2.86885
213 1EDO NAP 2.86885
214 3LST SAH 2.87356
215 1GQ2 NAP 2.88288
216 3O9Z NAD 2.88462
217 3O9Z AKG 2.88462
218 2YY7 NAD 2.88462
219 1BGV GLU 2.89532
220 5ZI2 ADP 2.89855
221 5ZI2 NAD 2.89855
222 2WA2 SAM 2.89855
223 3ICR FAD 2.90102
224 3ICS FAD 2.90102
225 3ICT FAD 2.90102
226 6FP4 FAD 2.90102
227 6FP4 E1T 2.90102
228 3ICT ADP 2.90102
229 3ICS ADP 2.90102
230 2GMH FAD 2.91096
231 3CGB FAD 2.91667
232 1LLU NAD 2.92398
233 4RQU NAD 2.93333
234 3NKS FAD 2.93501
235 5NA1 FAD 2.94118
236 3Q9T FAY 2.94627
237 4MP8 MLI 2.94985
238 4MP8 NAD 2.94985
239 3WBF NAP 2.95082
240 3WBF API 2.95082
241 3C3Y SAH 2.95359
242 4YUW 4JU 2.96053
243 4YUW S4M 2.96053
244 1TL2 NDG 2.9661
245 3K5I AIR 2.97767
246 1JG3 ADN 2.97872
247 1J49 NAD 3.003
248 3LZW FAD 3.01205
249 3LZW NAP 3.01205
250 5K0A FAD 3.0303
251 1SQF SAM 3.0303
252 4N49 SAM 3.03738
253 1JQ3 AAT 3.04054
254 6D6Y SAH 3.05927
255 5X68 FAD 3.06905
256 2C7G FAD 3.07018
257 2C7G ODP 3.07018
258 5JWC FAD 3.07102
259 2ZXI FAD 3.07167
260 5HSA FAS 3.07167
261 4Z24 FAD 3.07167
262 3X0D SAH 3.07167
263 5H81 NAP 3.08483
264 4J4H NAI 3.0888
265 4J4H 1J1 3.0888
266 4JK3 NAD 3.0888
267 4R6W PC 3.10078
268 4R6W SAH 3.10078
269 5ZW3 SAH 3.11111
270 5JGL SAM 3.11419
271 3CGD FAD 3.125
272 3CGD COA 3.125
273 3CGD NAD 3.125
274 2HQM FAD 3.13152
275 1GZ6 NAI 3.1348
276 1TPY SAH 3.13589
277 2JL1 NAP 3.13589
278 1X7D NAD 3.14286
279 1X7D ORN 3.14286
280 6GAR FAD 3.15186
281 5JCA FAD 3.16901
282 5JCA NDP 3.16901
283 3ZNN FAD 3.17003
284 3ZNN 4WL 3.17003
285 5FAG PPI 3.17073
286 2E5V FAD 3.17797
287 2I7C AAT 3.18021
288 1YQZ FAD 3.19635
289 5X62 SAH 3.20197
290 2YYY NAP 3.207
291 5THY SAH 3.20988
292 5THZ SAH 3.20988
293 4XUC SAM 3.21101
294 4XUC 43G 3.21101
295 3FG2 FAD 3.21782
296 1SC6 NAD 3.21782
297 2VVM FAD 3.23232
298 2VVL FAD 3.23232
299 1F8F NAD 3.2345
300 1HYH NAD 3.23625
301 1X14 NAD 3.2419
302 4BV6 FAD 3.24232
303 4FWE FAD 3.24232
304 1Q1R FAD 3.24826
305 2VDV SAM 3.25203
306 1R6D DAU 3.2641
307 1R6D NAD 3.2641
308 1C3V NDP 3.26531
309 1XHC FAD 3.26975
310 5YB7 ORN 3.27586
311 5YB7 FAD 3.27586
312 4BVA NDP 3.28358
313 3BAZ NAP 3.3033
314 4U8P FDA 3.31384
315 4U8P UDP 3.31384
316 6GAS FAD 3.32326
317 1PZG A3D 3.32326
318 1SAY PYR 3.3241
319 5JCM FAD 3.32594
320 5JCM ISD 3.32594
321 5JCM NAD 3.32594
322 2RGH FAD 3.3275
323 3QWI NAP 3.33333
324 2AQJ FAD 3.34572
325 2AQJ TRP 3.34572
326 1QO8 FAD 3.35689
327 5BW4 SAM 3.37079
328 5DM1 SAH 3.37079
329 5DM1 5D7 3.37079
330 5GZ6 NDP 3.37423
331 5GZ6 7C3 3.37423
332 2EFJ SAH 3.38542
333 3O7W SAM 3.40136
334 3LCC SAH 3.40426
335 5O9F 9ON 3.40909
336 5O9F NAD 3.40909
337 3DMH SAM 3.41207
338 3DMH GMP 3.41207
339 4TXI FAD 3.41297
340 5W7K SAH 3.41297
341 1KEV NDP 3.4188
342 4CJX NAP 3.44828
343 4J1Q NDP 3.44828
344 1NM5 NAD 3.44828
345 4YT4 FE9 3.46667
346 1Q0S SAH 3.4749
347 2B4R NAD 3.47826
348 2B4R AES 3.47826
349 5ZZO FLC 3.48259
350 5G4L NDP 3.4965
351 4D04 NAP 3.50554
352 4D04 FAD 3.50554
353 1KOL NAD 3.51759
354 1GR0 NAD 3.54223
355 2JBH 5GP 3.55556
356 3AXB PRO 3.57143
357 3AXB FAD 3.57143
358 3HAD NAD 3.57143
359 5GM1 SAH 3.58362
360 2IZ1 ATR 3.5865
361 4IV9 FAD 3.59066
362 3KB6 NAD 3.59281
363 2DBZ NAP 3.59281
364 1UP7 NAD 3.59712
365 1DSS NAD 3.6036
366 4ZVV GN0 3.61446
367 4ZVV NAD 3.61446
368 5MPT SAH 3.62319
369 1YJQ NAP 3.63036
370 3DAG FEG 3.63128
371 1ZK7 FAD 3.64026
372 1LDM NAD 3.64742
373 1B8U NAD 3.64742
374 3A4T SFG 3.64964
375 5ERG SAM 3.65535
376 4EMI FAD 3.65854
377 4EMI NAD 3.65854
378 5N6C NAD 3.66667
379 1Q9I TEO 3.67776
380 1Q9I FAD 3.67776
381 5YAP 8S0 3.68421
382 5YAP NAI 3.68421
383 1NAA ABL 3.69686
384 1NAA 6FA 3.69686
385 3OFK SAH 3.7037
386 4OOE FOM 3.71287
387 4OOE NDP 3.71287
388 2BKX F6R 3.71901
389 3GRU AMP 3.72881
390 4D7E FAD 3.7296
391 4DCM SAM 3.73333
392 1R37 NAD 3.7464
393 1F06 NDP 3.75
394 5TVA AMP 3.75
395 4NBT NAD 3.75
396 3SQP FAD 3.76569
397 1H5Q NAP 3.77358
398 2DT5 NAD 3.79147
399 3QJ4 FAD 3.80117
400 5MGZ SAH 3.81356
401 3JQA NAP 3.81944
402 5K6A NAP 3.81944
403 3JQF NAP 3.81944
404 4CM8 NAP 3.81944
405 5JDI NAP 3.81944
406 3BMO NAP 3.81944
407 3JQB NAP 3.81944
408 3JQ7 NAP 3.81944
409 5JCJ NAP 3.81944
410 4CM4 NAP 3.81944
411 3BMQ NAP 3.81944
412 4CMI NAP 3.81944
413 5JDC NAP 3.81944
414 3JQ8 NAP 3.81944
415 4CM9 NAP 3.81944
416 3JQG NAP 3.81944
417 4CLR NAP 3.81944
418 3BMN NAP 3.81944
419 3JQ9 NAP 3.81944
420 3GGO ENO 3.82166
421 3GGO NAI 3.82166
422 1MO9 FAD 3.82409
423 1MO9 KPC 3.82409
424 4EUE NAI 3.82775
425 4RKX 3S9 3.83142
426 1E3W NAD 3.83142
427 1L1E SAH 3.83275
428 3B20 NAD 3.83481
429 3B1J NAD 3.83481
430 3ABI NAD 3.83562
431 6F7L FAD 3.84615
432 5X20 NAD 3.84615
433 1G60 SAM 3.84615
434 5AOV NAP 3.86905
435 4GKV NAD 3.86905
436 1RSG FAD 3.87597
437 5TTJ FAD 3.87755
438 1YY5 FAD 3.89864
439 6BII NAP 3.9039
440 2Q1W NAD 3.9039
441 3ICC NAP 3.92157
442 5F8F SFG 3.92491
443 4ISS TAR 3.92491
444 4DSG FAD 3.92562
445 4DSG UDP 3.92562
446 4DI8 0GY 3.9604
447 4DI8 0GZ 3.9604
448 3H5N ATP 3.96601
449 5BSH PRO 3.97112
450 1V59 FAD 3.9749
451 1V59 NAD 3.9749
452 2I3G NAP 3.97727
453 3KU0 ADE 3.98406
454 1X87 NAD 3.99274
455 5NMX FAD 4
456 5NMX NAP 4
457 1P31 EPU 4
458 5E5U MLI 4.0201
459 1P0F NAP 4.02145
460 2OOR NAD 4.02299
461 2BRY FAD 4.02414
462 2EG5 SAH 4.03226
463 1T26 NAI 4.03727
464 1T26 GBD 4.03727
465 2VTD LKM 4.04494
466 3GEG NAD 4.04858
467 2A92 NAI 4.04984
468 2IXB NAD 4.05405
469 6F5W KG1 4.06504
470 6GNC FAD 4.08163
471 5E4R NAP 4.08163
472 4R5Z PMP 4.08719
473 2JB2 PHE 4.08998
474 2JB2 FAD 4.08998
475 1D4D FAD 4.09556
476 2RGO FAD 4.09556
477 2WD7 NAP 4.10448
478 5TC4 NAD 4.11392
479 1NE7 AGP 4.15225
480 6GNA FAD 4.16667
481 1I36 NAP 4.16667
482 3L4S NAD 4.16667
483 3L4S 3PG 4.16667
484 2EV9 SKM 4.18251
485 2EV9 NAP 4.18251
486 2VT3 ATP 4.18605
487 2YG3 FAD 4.19426
488 5C9P FUC 4.19948
489 3CB2 GDP 4.21053
490 1BW9 NAD 4.21348
491 2GLX NDP 4.21687
492 1C1X NAD 4.22535
493 5J5Z FAD 4.23387
494 3RNM FAD 4.24242
495 2P69 PLP 4.24837
496 1DIG NAP 4.24837
497 2P41 SAH 4.2623
498 3OID NDP 4.26357
499 4C3Y FAD 4.26621
500 4C3Y ANB 4.26621
501 1WDK NAD 4.26621
502 2G5C NAD 4.27046
503 5X9D 80F 4.27632
504 1G6H ADP 4.28016
505 3GFB NAD 4.28571
506 3G5S FAD 4.28894
507 4M52 FAD 4.29185
508 4M52 M52 4.29185
509 2A8X FAD 4.31034
510 5N2I NAP 4.31034
511 5NE2 DGL 4.31655
512 3S5W FAD 4.31965
513 3S5W NAP 4.31965
514 3TKA SAM 4.32277
515 4YRY NAD 4.34783
516 4YRY FAD 4.34783
517 5UAV NDP 4.34783
518 5UAV TFB 4.34783
519 4JJF FE9 4.36047
520 4JJF N2I 4.36047
521 4P86 5GP 4.37158
522 3ORF NAD 4.38247
523 1QMG APX 4.38931
524 3OA2 NAD 4.40252
525 1VE3 SAM 4.40529
526 4YKG FAD 4.41459
527 4YKG NAD 4.41459
528 3KLJ FAD 4.41558
529 2IID PHE 4.41767
530 2IID FAD 4.41767
531 2BOI MFU 4.42478
532 6C4M NAP 4.43038
533 1KEW NAD 4.43213
534 1KEW TYD 4.43213
535 1YP4 ADP 4.43459
536 4EDF UPG 4.45344
537 4DPL NAP 4.45682
538 1H2B NAJ 4.45682
539 2B1N LYS ALA SER VAL GLY 4.47154
540 3U31 NAD 4.48276
541 2XWL CTP 4.4843
542 5KKA 6V0 4.48718
543 5NM7 GLY 4.51128
544 4RDH AMP 4.51389
545 4RDI ATP 4.51389
546 4D3F NAP 4.51613
547 3VPH NAD 4.51613
548 3VPH OXM 4.51613
549 6BQ6 TER 4.53172
550 1COY FAD 4.53649
551 1COY AND 4.53649
552 4E5N NAD 4.54545
553 2GCG NDP 4.54545
554 2JHF NAD 4.54545
555 5E1M SAH 4.56432
556 3LXD FAD 4.57831
557 4YMH SAH 4.58333
558 1LVL FAD 4.58515
559 1LVL NAD 4.58515
560 5EZ7 FAD 4.59184
561 1VQW FAD 4.59519
562 2DFV NAD 4.61095
563 5WSY 7UC 4.62428
564 3U4C NDP 4.62633
565 4OPC PGT 4.63576
566 4OPC FDA 4.63576
567 1WDI CIT 4.63768
568 2CDC XYP 4.64481
569 2CDC XYS 4.64481
570 2CDC NAP 4.64481
571 1N1G BCP 4.64481
572 5I39 FAD 4.65686
573 2F1K NAP 4.6595
574 1GET FAD 4.66667
575 1GET NAP 4.66667
576 3LU1 NAD 4.67033
577 5A1T NAI 4.69208
578 5A1T OXM 4.69208
579 2GV8 FAD 4.69799
580 2GVC FAD 4.69799
581 2GV8 NDP 4.69799
582 4D79 ATP 4.71014
583 1XTP SAI 4.72441
584 3EVG SAH 4.72727
585 3ITJ FAD 4.73373
586 3ITJ CIT 4.73373
587 6ECW SAH 4.7619
588 2Y6Q FAD 4.77387
589 2Y6Q I7T 4.77387
590 3VSE SAH 4.77387
591 4X9M FAD 4.78469
592 1E3I CXF 4.78723
593 3I53 SAH 4.81928
594 2Q0L FAD 4.82315
595 2Q0L NAP 4.82315
596 5VN0 FAD 4.82625
597 5VN0 NAI 4.82625
598 2UYQ SAM 4.83871
599 3GF4 UPG 4.87179
600 3GF4 FAD 4.87179
601 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 4.87805
602 1C3X 8IG 4.88722
603 4C4A SAH 4.94881
604 4USQ FAD 4.98615
605 5U8U FAD 4.9896
606 2PWY SAH 5.03876
607 2Q1S NAI 5.03979
608 3DXY SAM 5.04587
609 1PL6 572 5.05618
610 1PL6 NAD 5.05618
611 1LDN NAD 5.06329
612 1XDS SAM 5.08021
613 1QZZ SAM 5.08021
614 5U5G NAP 5.08475
615 1XCL SAH 5.10638
616 2NXE SAM 5.11811
617 5FJN FAD 5.11945
618 5FJN BE2 5.11945
619 5NUF NAD 5.12048
620 5NUE NAD 5.12048
621 4PLT NAI 5.13595
622 4PLT OXM 5.13595
623 2Q46 NAP 5.13834
624 5TUK FAD 5.14706
625 3CBG SAH 5.17241
626 5UAO FAD 5.1756
627 5AYV KPL 5.17799
628 5AYV NAP 5.17799
629 1SOW NAD 5.18293
630 3WGT FAD 5.18732
631 3WGT QSC 5.18732
632 5E72 SAM 5.20231
633 3FPZ AHZ 5.21472
634 1DLJ NAI 5.22388
635 1DLJ UGA 5.22388
636 5TWB FAD 5.23256
637 4USR FAD 5.26316
638 3WLE NAD 5.27859
639 5J7X FAD 5.28233
640 1O0S NAI 5.2901
641 1W8D NAP 5.29801
642 1W73 NAP 5.29801
643 1W6U NAP 5.29801
644 4KRI SAH 5.31178
645 4YSX FAD 5.31915
646 3UOY NAP 5.3211
647 3UOY FAD 5.3211
648 5FUB SAH 5.34125
649 1UAY ADN 5.3719
650 4XOE KGM 5.37634
651 6ECU SAH 5.37975
652 1JJ7 ADP 5.38462
653 5ZI9 FLC 5.38462
654 2XVE FAD 5.38793
655 2XVF FAD 5.38793
656 6CEP NAD 5.38922
657 6CEP OXM 5.38922
658 1OFL NGK GCD 5.40541
659 4UP3 FAD 5.41401
660 4UP3 NDP 5.41401
661 2FKA BEF 5.42636
662 3QMN A3P 5.42636
663 4O0L NDP 5.45455
664 3S1S SAH 5.46075
665 3LAD FAD 5.46218
666 4AT0 FAD 5.4902
667 4POO SAM 5.5
668 1MUU NAD 5.50459
669 1MV8 NAD 5.50459
670 3NYC FAD 5.51181
671 3NYC IAR 5.51181
672 3A27 SAM 5.51471
673 3JWH SAH 5.52995
674 2CDU FAD 5.53097
675 2CDU ADP 5.53097
676 3OND ADN 5.53279
677 3OND NAD 5.53279
678 2Q7V FAD 5.53846
679 3HDY FAD 5.54156
680 3HDY FDA 5.54156
681 3HDY GDU 5.54156
682 1APZ ASP 5.55556
683 5ZHO A2G GLA FUC 5.55556
684 6C4N NAP 5.56793
685 2VHW NAI 5.57029
686 3F8D FAD 5.57276
687 1LUA NAP 5.57491
688 4NTD FAD 5.58824
689 4EMJ FAD 5.60748
690 1BXG NAD 5.61798
691 1O94 ADP 5.625
692 3V1U NAD 5.62771
693 1RP0 AHZ 5.6338
694 5N53 8NB 5.64103
695 3CTY FAD 5.64263
696 1ELI PYC 5.65553
697 2B9W FAD 5.66038
698 1DL5 SAH 5.67823
699 4JDR FAD 5.6962
700 1I9G SAM 5.71429
701 2XYQ SAH 5.7377
702 3GFS FMN 5.74713
703 2FR1 NDP 5.76132
704 1NVM NAD 5.76923
705 1LC3 NAD 5.78231
706 5NII FAD 5.82524
707 3CIF NAD 5.84958
708 3CIF G3H 5.84958
709 2UZ1 TPP 5.86146
710 5THQ NDP 5.88235
711 6F9Q NAD 5.88235
712 3H2B SAH 5.91133
713 1NW5 SAM 5.95611
714 3GWZ SAH 5.96206
715 5HJM MTA 5.96591
716 4NTC FAD 5.97015
717 2JHP SAH 5.9727
718 4MDH NAD 5.98802
719 1I8T FAD 5.99455
720 3Q3C NAD 6.02007
721 1J0X NAD 6.0241
722 1KYZ SAH 6.0274
723 1Y8Q ATP 6.06936
724 1HYE NAP 6.07029
725 2AG8 NAP 6.08365
726 2HJR APR 6.09756
727 3QV1 NAD 6.09756
728 5Y8L NAD 6.1017
729 5Y8L HUI 6.1017
730 1EJ0 SAM 6.11111
731 2CVQ NDP 6.11621
732 1GTE FAD 6.14334
733 1Z45 NAD 6.14334
734 2FZW NAD 6.16622
735 5XNC MTA 6.19946
736 5O4J SAH 6.20438
737 5O4J PJL 6.20438
738 5O4J 9KH 6.20438
739 1KYQ NAD 6.20438
740 6ECT SAM 6.23053
741 2F5Z FAD 6.25
742 2WET FAD 6.26223
743 1TDF NAP 6.32911
744 1TDF FAD 6.32911
745 5YRF GLC GLC 6.33803
746 5YRG BGC GLC 6.33803
747 2VYN NAD 6.34441
748 1PJS NAD 6.34573
749 1GZ4 ATP 6.35209
750 4DMG SAM 6.36132
751 1GAD NAD 6.36364
752 5MIT NAP 6.42202
753 5MIT FAD 6.42202
754 5LOG SAH 6.43777
755 4GUS FAD 6.45161
756 4GUT FAD 6.45161
757 4HSU FAD 6.45161
758 4JNA FAD 6.47059
759 1UXG NAD 6.47249
760 1UXG FUM 6.47249
761 1F3L SAH 6.54206
762 2HK9 ATR 6.54545
763 2HK9 NAP 6.54545
764 1O6Z NAD 6.60066
765 1VDC FAD 6.60661
766 1OC2 NAD 6.6092
767 1OC2 TDX 6.6092
768 1P77 ATR 6.61765
769 1N2X SAM 6.64452
770 3H9E NAD 6.6474
771 1WG8 SAM 6.66667
772 1CDO NAD 6.68449
773 1EBF NAD 6.70391
774 6ER9 FAD 6.73953
775 6ER9 NAP 6.73953
776 3SJ7 NDP 6.74603
777 4RPL FAD 6.76692
778 4RPL 3UC 6.76692
779 1L3I SAH 6.77083
780 1DDU DDU 6.79245
781 4LWP SAH 6.79348
782 5WGR FAD 6.82594
783 5KVA SAM 6.83453
784 6CDZ UMC 6.84411
785 2PK3 A2R 6.85358
786 3NJ4 NAD 6.89655
787 3NJ4 AFX 6.89655
788 5EOW FAD 6.91358
789 1YXM ADE 6.93069
790 1CER NAD 6.94864
791 5Z21 NAI 6.98324
792 4KIB SAH 7.0028
793 1FK8 NAD 7.00389
794 3BXO SAM 7.11297
795 5TOW ADN 7.12531
796 5TOW NAI 7.12531
797 3VYW SAM 7.14286
798 4USI AKG 7.14286
799 1E7S NAP 7.16511
800 1VL0 NAI 7.19178
801 5ZZ6 NAD 7.21154
802 4QTU SAM 7.21154
803 5ZZ6 ADP 7.21154
804 3GMB FAD 7.22892
805 3G89 SAM 7.22892
806 1HDG NAD 7.22892
807 1ZEM NAD 7.25191
808 1W55 GPP 7.27763
809 5EVY FAD 7.30594
810 2BOS GLA GAL GLC NBU 7.35294
811 2BOS GLA GAL GLC 7.35294
812 1ZQ9 SAM 7.36842
813 1H82 FAD 7.41525
814 1H82 GZZ 7.41525
815 4M73 SAH 7.4184
816 4M73 M72 7.4184
817 1FL2 FAD 7.41935
818 2RGJ FAD 7.46269
819 4PLG NAI 7.48503
820 4PLG OXM 7.48503
821 5L95 AMP 7.5
822 5Z20 NAI 7.53623
823 1GY8 NAD 7.55667
824 2NU8 COA 7.63889
825 4CNK FAD 7.67263
826 4XDY NAI 7.69231
827 1DCP HBI 7.69231
828 1GV0 NAD 7.74194
829 1GUZ NAD 7.74194
830 6C4T NA7 7.77778
831 5ODQ FAD 7.85714
832 3GDH SAH 7.88382
833 3OJO NAD 7.88863
834 2O4C NAD 7.89474
835 5WUW NAP 8.01394
836 1P1C SAH 8.0402
837 2ZIF SAM 8.08081
838 3GU3 SAH 8.09859
839 5HXI FAD 8.17942
840 5HXI 5HN 8.17942
841 1KJ8 GAR 8.18414
842 2NU5 NAG 8.19672
843 2NUO BGC 8.19672
844 2HYQ MAN MAN 8.19672
845 2HYR BGC GLC 8.19672
846 2GUD BMA 8.19672
847 2GUD MAN 8.19672
848 2GUC MAN 8.19672
849 4BJZ P3A 8.25472
850 4BJZ FAD 8.25472
851 2IVD FAD 8.3682
852 1EQ2 NAP 8.3871
853 4CQM NAP 8.42912
854 2QES ADE 8.42912
855 2GZ3 NAP 8.46994
856 1JAY NAP 8.49057
857 4TXE 38F 8.5034
858 4XB2 NDP 8.65672
859 4XB2 HSE 8.65672
860 5BUK FAD 8.66667
861 4MO2 FDA 8.69565
862 4MO2 FAD 8.69565
863 1NME 159 8.69565
864 5YU3 PRO 8.72093
865 5YU3 NAD 8.72093
866 2GN4 UD1 8.72093
867 6CI9 F3V 8.88031
868 5DX8 SFG 8.88252
869 5DWQ SFG 8.88252
870 5DX1 SFG 8.88252
871 5DXA SFG 8.88252
872 5DX0 SFG 8.88252
873 2NPX FAD 8.94855
874 2NPX NAD 8.94855
875 5ULP KB1 8.95522
876 3HVJ 705 9.04977
877 2CUL FAD 9.05172
878 2AAZ UMP 9.14826
879 4IWN GEK 9.17031
880 1VM6 NAD 9.21053
881 3EGI ADP 9.2233
882 5A96 GTP 9.23695
883 2PXX SAH 9.30233
884 4R5M NAP 9.30851
885 5DN9 NAD 9.34066
886 5KMS FAD 9.38272
887 5KMS NAD 9.38272
888 1HDR NAD 9.42623
889 3QFA FAD 9.48276
890 1NYT NAP 9.5941
891 1FP2 SAH 9.65909
892 1R18 SAH 9.69163
893 5YSS NAD 9.76562
894 4HXY NDP 9.81735
895 5YRJ BGC GLC 9.85915
896 5YRL GLC GLC 9.85915
897 5YRM BGC GLC 9.85915
898 1GEE NAD 9.96169
899 5J60 FAD 10
900 2GAG NAD 10
901 2GAG FOA 10
902 2GAG FAD 10
903 3B1F NAD 10
904 2PIE GLU LEU LYS TPO GLU ARG TYR 10.1449
905 2DC1 NAD 10.1695
906 1D1T NAD 10.1877
907 2DPM SAM 10.2113
908 5E9W SAH 10.2564
909 5JE8 NAD 10.2649
910 4J36 1HR 10.3614
911 4J36 FAD 10.3614
912 5MQ6 NDP 10.4096
913 1Z82 NDP 10.4478
914 6FHO FAD 10.5263
915 5OVK NDP 10.5469
916 1E5Q NDP 10.6667
917 2HNK SAH 10.8787
918 1RYI GOA 10.9948
919 1RYI FAD 10.9948
920 6FLZ MMA 11.1111
921 4CS9 AMP 11.1111
922 1FWV SGA MAG FUC 11.194
923 2YVF FAD 11.2745
924 2YVF NAD 11.2745
925 2YVJ FAD 11.2745
926 2YVJ NAI 11.2745
927 1LSS NAD 11.4286
928 3A06 NDP 11.4362
929 2FWP ICR 11.4754
930 2FWP CIT 11.4754
931 5TUF TDC 11.4914
932 5TUF FAD 11.4914
933 5KOK SAH 11.5869
934 6ACS CIT 11.6279
935 5O42 9JW 11.6788
936 5O42 BGC 11.6788
937 5O42 NAD 11.6788
938 1E6E FAD 11.7188
939 3TLJ SAH 11.7962
940 3LKZ SFG 11.838
941 2WW4 ADP 12.0141
942 4AP3 FAD 12.0219
943 4AP3 NAP 12.0219
944 3AD8 NAD 12.1212
945 3AD8 FAD 12.1212
946 3AD8 PYC 12.1212
947 2BGM NAJ 12.2302
948 4II2 ATP 12.2699
949 4OBW SAM 12.4514
950 5C2N NAG 12.5
951 4URF NAD 12.5
952 5YEC ATP 12.605
953 5Y77 FAD 12.7986
954 5MZI FAD 12.7986
955 5MZI FYK 12.7986
956 2P3V SRT 12.8906
957 1J5P NAD 13.0435
958 3SJU NDP 13.2616
959 5EES NAP 13.3603
960 2XVM SAH 13.5678
961 4J56 FAD 13.8632
962 4NEC SAH 14.0152
963 2PV7 NAD 14.094
964 3FUU ADN 14.3911
965 6FDF SAH 14.6707
966 3WV8 ATP 14.6789
967 3E1T FAD 15.0391
968 1XG5 NAP 15.0538
969 1NV8 MEQ 15.1408
970 1NV8 SAM 15.1408
971 3SSO SAH 15.2745
972 5N0J FAD 15.3846
973 1EZ4 NAD 15.4088
974 4XQC 13D 15.7895
975 4XQC NAD 15.7895
976 5E8J SAH 15.9091
977 2HMT NAI 15.9722
978 5EIN NAP 16.6667
979 5TQZ GLC 17.3333
980 5N5D SAM 17.6991
981 5LWY OLB 17.757
982 1HE1 AF3 18.5185
983 5CAE COA 19.1693
984 4MCC 21X 19.5122
985 4GQB 0XU 22.7273
986 5BVA FAD 23.4719
987 4M38 SAH 23.8095
988 3OZ2 FAD 23.9295
989 6F5Z SAH 24.5902
990 5FA5 MTA 25
991 1JNR FAD 26
992 1WP4 NDP 26.9896
993 2CVZ NDP 26.9896
994 2DKH 3HB 28.6689
995 2DKH FAD 28.6689
996 1PN0 IPH 29.8635
997 1PN0 FAD 29.8635
998 4K5S FAD 30.0373
999 4K5S PM0 30.0373
1000 2QA1 FAD 32.2
1001 1YKJ FAD 34.0102
1002 1YKJ PHB 34.0102
1003 6AIN FAD 36.3636
1004 5KOX RFP 41.3866
1005 5KOX FAD 41.3866
1006 4EIP FAD 44.4444
1007 4EIP K2C 44.4444
Pocket No.: 2; Query (leader) PDB : 5BRT; 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: 5brt.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5BRT; Ligand: CH9; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5brt.bio2) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5BRT; Ligand: CH9; Similar sites found with APoc: 932
This union binding pocket(no: 4) in the query (biounit: 5brt.bio2) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 4YNU LGC 1.05079
2 4YNU FAD 1.05079
3 5I8T LAC 1.11732
4 3X0V FAD 1.2939
5 2RAB NAD 1.2959
6 2RAB FAD 1.2959
7 5ZBC FAD 1.33038
8 5OJL TXP 1.34228
9 4E13 NAD 1.41343
10 5G3U FDA 1.41844
11 5G3U ITW 1.41844
12 4TSK NDP 1.42857
13 4XDZ NDP 1.45773
14 1G55