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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2GJL | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 2GJN | - | NIS | C3 H7 N O2 | CC(C)[N+](.... |
3 | 6E2A | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5GVH | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 2GJL | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
3 | 2GJN | - | NIS | C3 H7 N O2 | CC(C)[N+](.... |
4 | 6E2A | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | UBG | 0.534351 | 0.888889 |
9 | 5DD | 0.475248 | 0.972603 |
10 | LFN | 0.475 | 0.643836 |
11 | C3F | 0.473684 | 0.74359 |
12 | CF4 | 0.463918 | 0.734177 |
13 | FAY | 0.446043 | 0.864198 |
14 | FNR | 0.444444 | 0.909091 |
15 | RFL | 0.442857 | 0.845238 |
16 | 4LS | 0.411215 | 0.875 |
17 | 1VY | 0.406593 | 0.769231 |
18 | DLZ | 0.404494 | 0.782051 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PYR | 1.0000 |
2 | 2OP | 1.0000 |
3 | ALQ | 1.0000 |
4 | ALA | 1.0000 |
5 | DAL | 1.0000 |
6 | LAC | 1.0000 |
7 | OXD | 1.0000 |
8 | 5Y9 | 1.0000 |
9 | OXL | 1.0000 |
10 | HGY | 1.0000 |
11 | OXM | 1.0000 |
12 | PYM | 1.0000 |
13 | BUO | 1.0000 |
14 | HBS | 0.9962 |
15 | HBR | 0.9922 |
16 | NAK | 0.9912 |
17 | FAH | 0.9795 |
18 | TF4 | 0.9780 |
19 | GLV | 0.9760 |
20 | GLY | 0.9748 |
21 | ALF | 0.9746 |
22 | NIE | 0.9739 |
23 | GOA | 0.9705 |
24 | 1AC | 0.9701 |
25 | PPI | 0.9697 |
26 | SER | 0.9669 |
27 | F3V | 0.9635 |
28 | DXX | 0.9624 |
29 | MB3 | 0.9610 |
30 | CYS | 0.9600 |
31 | HVB | 0.9598 |
32 | DTI | 0.9593 |
33 | AGU | 0.9578 |
34 | DSN | 0.9578 |
35 | AKR | 0.9576 |
36 | HAE | 0.9575 |
37 | DMI | 0.9572 |
38 | AOA | 0.9571 |
39 | R3W | 0.9569 |
40 | HIU | 0.9565 |
41 | TSZ | 0.9564 |
42 | 2KT | 0.9551 |
43 | MGX | 0.9533 |
44 | 39J | 0.9531 |
45 | NHY | 0.9523 |
46 | KG7 | 0.9522 |
47 | 3OH | 0.9517 |
48 | DGY | 0.9515 |
49 | F50 | 0.9510 |
50 | DE2 | 0.9507 |
51 | BAL | 0.9498 |
52 | 2RA | 0.9495 |
53 | 03W | 0.9494 |
54 | ATO | 0.9490 |
55 | 61G | 0.9488 |
56 | MMZ | 0.9480 |
57 | HUI | 0.9480 |
58 | B20 | 0.9479 |
59 | TAY | 0.9479 |
60 | BNZ | 0.9472 |
61 | GOL | 0.9471 |
62 | DBB | 0.9465 |
63 | 2A3 | 0.9464 |
64 | 0PY | 0.9464 |
65 | KSW | 0.9462 |
66 | BRP | 0.9459 |
67 | HSL | 0.9448 |
68 | BAQ | 0.9438 |
69 | PHZ | 0.9430 |
70 | NMU | 0.9423 |
71 | 3PY | 0.9421 |
72 | 4AX | 0.9421 |
73 | DCY | 0.9417 |
74 | BUA | 0.9413 |
75 | C2N | 0.9412 |
76 | A3B | 0.9412 |
77 | P1R | 0.9410 |
78 | SMB | 0.9397 |
79 | GBL | 0.9394 |
80 | ABA | 0.9373 |
81 | 2A1 | 0.9365 |
82 | 3ZS | 0.9365 |
83 | HLT | 0.9347 |
84 | THR | 0.9342 |
85 | PPF | 0.9338 |
86 | MLI | 0.9337 |
87 | MLA | 0.9330 |
88 | BU4 | 0.9315 |
89 | 3MT | 0.9307 |
90 | BMD | 0.9305 |
91 | BUB | 0.9298 |
92 | SAR | 0.9293 |
93 | TCV | 0.9289 |
94 | IPH | 0.9286 |
95 | ETF | 0.9284 |
96 | 6SP | 0.9279 |
97 | BXA | 0.9269 |
98 | ATQ | 0.9263 |
99 | J3K | 0.9263 |
100 | 1AN | 0.9261 |
101 | BUQ | 0.9260 |
102 | 93Q | 0.9260 |
103 | L89 | 0.9259 |
104 | 76X | 0.9258 |
105 | FP2 | 0.9257 |
106 | 1CB | 0.9254 |
107 | CAQ | 0.9254 |
108 | 2AF | 0.9251 |
109 | OXE | 0.9251 |
110 | AMT | 0.9250 |
111 | 3TR | 0.9236 |
112 | 7EX | 0.9229 |
113 | PZO | 0.9227 |
114 | 2AI | 0.9219 |
115 | HOW | 0.9216 |
116 | 3GR | 0.9215 |
117 | 92Z | 0.9212 |
118 | MR3 | 0.9209 |
119 | 8LG | 0.9208 |
120 | J1Z | 0.9204 |
121 | JZ0 | 0.9200 |
122 | CP2 | 0.9200 |
123 | A2Q | 0.9193 |
124 | XAP | 0.9193 |
125 | HV2 | 0.9192 |
126 | 9PO | 0.9183 |
127 | YAN | 0.9182 |
128 | 2IM | 0.9182 |
129 | 2MZ | 0.9178 |
130 | C5J | 0.9176 |
131 | 1MZ | 0.9168 |
132 | HUH | 0.9167 |
133 | 5MP | 0.9166 |
134 | BEW | 0.9166 |
135 | 938 | 0.9165 |
136 | MZY | 0.9163 |
137 | TRI | 0.9160 |
138 | IMD | 0.9159 |
139 | HSW | 0.9157 |
140 | MTG | 0.9154 |
141 | 3BB | 0.9153 |
142 | 4MZ | 0.9152 |
143 | 2CH | 0.9151 |
144 | 23W | 0.9148 |
145 | LGA | 0.9137 |
146 | GXV | 0.9135 |
147 | HTS | 0.9126 |
148 | HRZ | 0.9122 |
149 | 3CL | 0.9116 |
150 | HVK | 0.9112 |
151 | HYN | 0.9111 |
152 | V1L | 0.9107 |
153 | 2AP | 0.9105 |
154 | 24T | 0.9102 |
155 | 3AP | 0.9094 |
156 | 1BP | 0.9087 |
157 | L60 | 0.9085 |
158 | 3HR | 0.9081 |
159 | LER | 0.9079 |
160 | MBN | 0.9078 |
161 | WOT | 0.9075 |
162 | 4AP | 0.9072 |
163 | 5KX | 0.9071 |
164 | HPY | 0.9062 |
165 | CYH | 0.9057 |
166 | MRY | 0.9051 |
167 | 9A4 | 0.9049 |
168 | MLM | 0.9033 |
169 | 6X8 | 0.9023 |
170 | JZ6 | 0.9023 |
171 | DTL | 0.9022 |
172 | 3ZQ | 0.9017 |
173 | CXL | 0.9017 |
174 | 192 | 0.9014 |
175 | 2HA | 0.9005 |
176 | PXO | 0.8998 |
177 | CHT | 0.8993 |
178 | HAI | 0.8989 |
179 | E60 | 0.8988 |
180 | EGD | 0.8976 |
181 | MZ0 | 0.8974 |
182 | 93B | 0.8973 |
183 | DCD | 0.8972 |
184 | 280 | 0.8968 |
185 | CEJ | 0.8967 |
186 | 40O | 0.8962 |
187 | 3HL | 0.8957 |
188 | BAE | 0.8951 |
189 | 2HE | 0.8949 |
190 | 8FH | 0.8946 |
191 | BYZ | 0.8942 |
192 | 4XX | 0.8940 |
193 | 8CL | 0.8939 |
194 | TMZ | 0.8938 |
195 | GXE | 0.8935 |
196 | ES3 | 0.8934 |
197 | DMG | 0.8933 |
198 | TAN | 0.8929 |
199 | AAE | 0.8928 |
200 | XIX | 0.8901 |
201 | MEU | 0.8898 |
202 | ETM | 0.8896 |
203 | ITU | 0.8896 |
204 | 26D | 0.8893 |
205 | PYZ | 0.8883 |
206 | IVA | 0.8872 |
207 | URA | 0.8870 |
208 | ODV | 0.8865 |
209 | VSO | 0.8863 |
210 | RP7 | 0.8862 |
211 | H3M | 0.8859 |
212 | NVI | 0.8859 |
213 | LG3 | 0.8858 |
214 | RCO | 0.8853 |
215 | DUC | 0.8849 |
216 | AKB | 0.8845 |
217 | CYT | 0.8843 |
218 | TMT | 0.8840 |
219 | SSN | 0.8839 |
220 | D2P | 0.8838 |
221 | TTO | 0.8830 |
222 | CRS | 0.8829 |
223 | HHN | 0.8827 |
224 | TFB | 0.8825 |
225 | 8GF | 0.8823 |
226 | FOA | 0.8814 |
227 | FMS | 0.8812 |
228 | PRO | 0.8812 |
229 | MMU | 0.8810 |
230 | 285 | 0.8804 |
231 | 4DX | 0.8798 |
232 | P2D | 0.8795 |
233 | PIH | 0.8780 |
234 | BVF | 0.8776 |
235 | LG5 | 0.8774 |
236 | HSE | 0.8774 |
237 | PRI | 0.8773 |
238 | DTU | 0.8770 |
239 | JBN | 0.8768 |
240 | PRS | 0.8767 |
241 | CIG | 0.8766 |
242 | MSF | 0.8765 |
243 | PYC | 0.8761 |
244 | 25T | 0.8760 |
245 | FCN | 0.8758 |
246 | 8X3 | 0.8755 |
247 | VAL | 0.8755 |
248 | TAU | 0.8754 |
249 | ICN | 0.8744 |
250 | SLP | 0.8740 |
251 | 2PC | 0.8737 |
252 | MAK | 0.8736 |
253 | 3CH | 0.8734 |
254 | TFS | 0.8733 |
255 | KIV | 0.8731 |
256 | DPR | 0.8726 |
257 | BVC | 0.8720 |
258 | BVG | 0.8711 |
259 | ALO | 0.8706 |
260 | EDO | 0.8703 |
261 | HGW | 0.8701 |
262 | 1DH | 0.8700 |
263 | HGQ | 0.8683 |
264 | HVQ | 0.8679 |
265 | B3R | 0.8678 |
266 | 1XX | 0.8675 |
267 | DTT | 0.8674 |
268 | POA | 0.8656 |
269 | IDH | 0.8656 |
270 | 9X7 | 0.8655 |
271 | ISU | 0.8655 |
272 | URF | 0.8637 |
273 | PAE | 0.8635 |
274 | 73M | 0.8627 |
275 | WBU | 0.8625 |
276 | IQ0 | 0.8619 |
277 | CSS | 0.8612 |
278 | HCS | 0.8598 |
279 | SMV | 0.8576 |
280 | MMQ | 0.8533 |
281 | T2C | 0.8529 |
282 | NEQ | 0.8525 |
This union binding pocket(no: 2) in the query (biounit: 6e2a.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6e2a.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6BKA | FMN | 29.6407 |
This union binding pocket(no: 4) in the query (biounit: 6e2a.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |