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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 | 6DAX | - | HRG | C7 H16 N4 O2 | C(CCNC(=N).... |
2 | 2WBO | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
3 | 6ALP | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
4 | 2WBP | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
5 | 6ALO | - | OKG | C4 H5 O5 | C(CC(=O)O[.... |
6 | 6MP9 | - | JX7 | C6 H11 N3 O3 | [H]/N=C(/N.... |
7 | 6ALM | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
8 | 6Y0N | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
9 | 6DB2 | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
10 | 6ALN | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
11 | 6ALQ | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
12 | 6MP8 | - | DAR | C6 H15 N4 O2 | C(C[C@H](C.... |
13 | 6DAZ | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
14 | 6ALR | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
15 | 6Y12 | - | ZZU | C6 H14 N4 O3 | C(CNC(=N)N.... |
16 | 2WBQ | - | ZZU | C6 H14 N4 O3 | C(CNC(=N)N.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6DAX | - | HRG | C7 H16 N4 O2 | C(CCNC(=N).... |
2 | 2WBO | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
3 | 6ALP | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
4 | 2WBP | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
5 | 6ALO | - | OKG | C4 H5 O5 | C(CC(=O)O[.... |
6 | 6MP9 | - | JX7 | C6 H11 N3 O3 | [H]/N=C(/N.... |
7 | 6ALM | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
8 | 6Y0N | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
9 | 6DB2 | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
10 | 6ALN | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
11 | 6ALQ | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
12 | 6MP8 | - | DAR | C6 H15 N4 O2 | C(C[C@H](C.... |
13 | 6DAZ | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
14 | 6ALR | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
15 | 6Y12 | - | ZZU | C6 H14 N4 O3 | C(CNC(=N)N.... |
16 | 2WBQ | - | ZZU | C6 H14 N4 O3 | C(CNC(=N)N.... |
17 | 6DAW | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
18 | 4M2G | - | 2OR | C6 H15 N4 O4 | C([C@H]([C.... |
19 | 4M26 | - | ZZU | C6 H14 N4 O3 | C(CNC(=N)N.... |
20 | 4M2E | - | HRG | C7 H16 N4 O2 | C(CCNC(=N).... |
21 | 4M2C | - | DAR | C6 H15 N4 O2 | C(C[C@H](C.... |
22 | 4M25 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
23 | 4M2F | - | GGB | C5 H12 N4 O3 | [H]/N=C(N).... |
24 | 4M27 | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
25 | 4NE0 | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ARG | 0.9621 |
2 | MLY | 0.9580 |
3 | GGB | 0.9495 |
4 | 2OR | 0.9483 |
5 | CIR | 0.9478 |
6 | DAR | 0.9410 |
7 | NPI | 0.9381 |
8 | EXY | 0.9367 |
9 | API | 0.9363 |
10 | MLZ | 0.9354 |
11 | M3L | 0.9260 |
12 | E8U | 0.9230 |
13 | 5TO | 0.9223 |
14 | GVA | 0.9201 |
15 | ENW | 0.9194 |
16 | UN1 | 0.9181 |
17 | 1PS | 0.9176 |
18 | DHC | 0.9146 |
19 | DA3 | 0.9136 |
20 | 58X | 0.9136 |
21 | ENV | 0.9130 |
22 | DMA | 0.9127 |
23 | SZ7 | 0.9118 |
24 | PML | 0.9118 |
25 | NMM | 0.9106 |
26 | 26P | 0.9103 |
27 | 6HN | 0.9101 |
28 | ILO | 0.9094 |
29 | 9YT | 0.9093 |
30 | HAR | 0.9085 |
31 | DLT | 0.9072 |
32 | LVD | 0.9069 |
33 | 6C5 | 0.9060 |
34 | GRQ | 0.9056 |
35 | 3H2 | 0.9054 |
36 | 0QA | 0.9051 |
37 | TEG | 0.9049 |
38 | O45 | 0.9048 |
39 | LL2 | 0.9045 |
40 | JX7 | 0.9041 |
41 | 6C4 | 0.9034 |
42 | HC4 | 0.9024 |
43 | 3GZ | 0.9015 |
44 | WT2 | 0.9007 |
45 | IAR | 0.9001 |
46 | PAU | 0.8995 |
47 | 64Z | 0.8994 |
48 | GLY GLY GLY | 0.8993 |
49 | IVL | 0.8990 |
50 | CS2 | 0.8989 |
51 | DHH | 0.8986 |
52 | FB6 | 0.8984 |
53 | 2NP | 0.8980 |
54 | P81 | 0.8977 |
55 | 8SZ | 0.8976 |
56 | LPA | 0.8976 |
57 | 11C | 0.8973 |
58 | EGV | 0.8972 |
59 | OJD | 0.8968 |
60 | C82 | 0.8967 |
61 | NFA | 0.8965 |
62 | DXP | 0.8963 |
63 | LYS | 0.8962 |
64 | ONH | 0.8958 |
65 | 9J6 | 0.8957 |
66 | NNH | 0.8955 |
67 | S0F | 0.8953 |
68 | HPP | 0.8953 |
69 | OOG | 0.8951 |
70 | HLP | 0.8950 |
71 | 4JK | 0.8945 |
72 | 9VQ | 0.8944 |
73 | PA5 | 0.8944 |
74 | TYR | 0.8940 |
75 | L06 | 0.8940 |
76 | Z70 | 0.8939 |
77 | AHL | 0.8936 |
78 | HX8 | 0.8930 |
79 | SB7 | 0.8929 |
80 | IPE | 0.8923 |
81 | DED | 0.8920 |
82 | AHN | 0.8918 |
83 | XI7 | 0.8915 |
84 | XOG | 0.8913 |
85 | 5PV | 0.8911 |
86 | NOT | 0.8910 |
87 | LZ5 | 0.8907 |
88 | 11X | 0.8900 |
89 | DST | 0.8899 |
90 | SOJ | 0.8898 |
91 | 4TB | 0.8896 |
92 | RGP | 0.8896 |
93 | VUR | 0.8890 |
94 | 3KJ | 0.8890 |
95 | AHC | 0.8890 |
96 | ENO | 0.8887 |
97 | 4FP | 0.8885 |
98 | 6FG | 0.8884 |
99 | J9Y | 0.8878 |
100 | A5P | 0.8876 |
101 | OCA | 0.8875 |
102 | DA2 | 0.8874 |
103 | 0A9 | 0.8872 |
104 | DEZ | 0.8871 |
105 | 8GL | 0.8869 |
106 | 2FM | 0.8868 |
107 | 6C9 | 0.8859 |
108 | PHE | 0.8859 |
109 | DER | 0.8858 |
110 | 5LD | 0.8856 |
111 | Q06 | 0.8855 |
112 | M1T | 0.8846 |
113 | LGT | 0.8846 |
114 | GLU | 0.8843 |
115 | LPB | 0.8843 |
116 | RP5 | 0.8837 |
117 | LLH | 0.8835 |
118 | KYN | 0.8835 |
119 | SNR | 0.8834 |
120 | 7UC | 0.8831 |
121 | 6FR | 0.8830 |
122 | M3P | 0.8830 |
123 | 3VR | 0.8827 |
124 | I2E | 0.8824 |
125 | KPC | 0.8821 |
126 | MJ5 | 0.8821 |
127 | HIS | 0.8821 |
128 | 6C8 | 0.8819 |
129 | PBN | 0.8816 |
130 | MF3 | 0.8815 |
131 | BL0 | 0.8810 |
132 | GNW | 0.8810 |
133 | E4P | 0.8809 |
134 | 5RP | 0.8809 |
135 | 2O8 | 0.8808 |
136 | DAH | 0.8805 |
137 | GLR | 0.8804 |
138 | 7XA | 0.8803 |
139 | EFF | 0.8801 |
140 | 4TP | 0.8797 |
141 | YIE | 0.8797 |
142 | PMV | 0.8796 |
143 | FPL | 0.8795 |
144 | ALE | 0.8794 |
145 | TYE | 0.8792 |
146 | G6Q | 0.8792 |
147 | TX4 | 0.8790 |
148 | 5UK | 0.8788 |
149 | T03 | 0.8787 |
150 | LX1 | 0.8785 |
151 | 5KJ | 0.8785 |
152 | IPR | 0.8783 |
153 | ALY | 0.8780 |
154 | KNA | 0.8780 |
155 | DLY | 0.8779 |
156 | HCI | 0.8779 |
157 | R5P | 0.8778 |
158 | R52 | 0.8778 |
159 | C53 | 0.8777 |
160 | SX2 | 0.8776 |
161 | SSC | 0.8772 |
162 | 848 | 0.8770 |
163 | HXY | 0.8768 |
164 | KPV | 0.8767 |
165 | HGA | 0.8766 |
166 | R10 | 0.8765 |
167 | N9J | 0.8764 |
168 | DNN | 0.8763 |
169 | 2JJ | 0.8763 |
170 | RP3 | 0.8762 |
171 | NWH | 0.8760 |
172 | PRO GLY | 0.8759 |
173 | DTY | 0.8759 |
174 | 4ZD | 0.8754 |
175 | TOH | 0.8752 |
176 | 0L1 | 0.8752 |
177 | A51 | 0.8752 |
178 | DXG | 0.8750 |
179 | IOP | 0.8750 |
180 | HSX | 0.8749 |
181 | TZM | 0.8746 |
182 | AKG | 0.8746 |
183 | B3U | 0.8745 |
184 | BHU | 0.8745 |
185 | TZP | 0.8742 |
186 | LUQ | 0.8738 |
187 | TCA | 0.8736 |
188 | P93 | 0.8733 |
189 | P3S | 0.8730 |
190 | E79 | 0.8729 |
191 | HL4 | 0.8728 |
192 | PO6 | 0.8728 |
193 | F98 | 0.8727 |
194 | XRX | 0.8725 |
195 | Q9Z | 0.8725 |
196 | CH8 | 0.8725 |
197 | 011 | 0.8724 |
198 | CLT | 0.8722 |
199 | RES | 0.8719 |
200 | KDG | 0.8717 |
201 | B41 | 0.8714 |
202 | HFA | 0.8713 |
203 | 2J3 | 0.8712 |
204 | NFZ | 0.8710 |
205 | HSA | 0.8709 |
206 | GAE | 0.8709 |
207 | F06 | 0.8707 |
208 | JF5 | 0.8706 |
209 | EIP | 0.8702 |
210 | GGG | 0.8702 |
211 | P7Y | 0.8702 |
212 | IJ6 | 0.8698 |
213 | TMG | 0.8696 |
214 | MGB | 0.8695 |
215 | S0W | 0.8693 |
216 | 6ZX | 0.8692 |
217 | LYN | 0.8691 |
218 | PFF | 0.8691 |
219 | 3YP | 0.8691 |
220 | P4F | 0.8691 |
221 | HPO | 0.8689 |
222 | DPN | 0.8689 |
223 | PPY | 0.8685 |
224 | PBA | 0.8685 |
225 | Q04 | 0.8683 |
226 | EQW | 0.8681 |
227 | DIR | 0.8680 |
228 | M6H | 0.8678 |
229 | P80 | 0.8678 |
230 | 5SP | 0.8675 |
231 | F63 | 0.8674 |
232 | SOR | 0.8674 |
233 | CXP | 0.8673 |
234 | LTN | 0.8670 |
235 | F90 | 0.8668 |
236 | QBM | 0.8667 |
237 | SPD | 0.8667 |
238 | TYC | 0.8666 |
239 | 5OY | 0.8664 |
240 | K4V | 0.8663 |
241 | F6P | 0.8663 |
242 | 363 | 0.8663 |
243 | FOM | 0.8661 |
244 | 0A1 | 0.8660 |
245 | DX5 | 0.8656 |
246 | PPN | 0.8654 |
247 | 7OD | 0.8651 |
248 | M6P | 0.8650 |
249 | 3PG | 0.8649 |
250 | 36M | 0.8648 |
251 | 3QO | 0.8647 |
252 | MD6 | 0.8643 |
253 | PPT | 0.8642 |
254 | NMH | 0.8640 |
255 | 1BN | 0.8638 |
256 | DZA | 0.8636 |
257 | 9BF | 0.8636 |
258 | JZA | 0.8635 |
259 | BPW | 0.8634 |
260 | 94X | 0.8633 |
261 | 650 | 0.8633 |
262 | JPQ | 0.8633 |
263 | SSB | 0.8633 |
264 | OHJ | 0.8627 |
265 | YOF | 0.8627 |
266 | K80 | 0.8627 |
267 | 5WZ | 0.8626 |
268 | DHM | 0.8625 |
269 | EQA | 0.8625 |
270 | QH3 | 0.8612 |
271 | 22F | 0.8612 |
272 | 37E | 0.8611 |
273 | GZ2 | 0.8607 |
274 | MJW | 0.8607 |
275 | TPM | 0.8607 |
276 | 3IP | 0.8601 |
277 | 5O6 | 0.8601 |
278 | TB8 | 0.8597 |
279 | REL | 0.8594 |
280 | EXG | 0.8592 |
281 | N8C | 0.8588 |
282 | D6P | 0.8586 |
283 | LXP | 0.8585 |
284 | IYR | 0.8581 |
285 | MMS | 0.8580 |
286 | 6N4 | 0.8580 |
287 | 1OV | 0.8578 |
288 | HDL | 0.8576 |
289 | DKA | 0.8575 |
290 | 3CX | 0.8575 |
291 | G88 | 0.8574 |
292 | 5DS | 0.8571 |
293 | HJ7 | 0.8569 |
294 | GO8 | 0.8564 |
295 | 0F3 | 0.8553 |
296 | 3VQ | 0.8553 |
297 | IBP | 0.8552 |
298 | 1YO | 0.8546 |
299 | 3VW | 0.8533 |
300 | GO2 | 0.8532 |
301 | STX | 0.8530 |
302 | TIH | 0.8528 |
303 | HBU | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 2wbq.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1NX4 | AKG | 5.66802 |
2 | 1NX4 | AKG | 5.66802 |
3 | 1NX4 | AKG | 5.66802 |
4 | 4OJ8 | AKG | 5.92885 |
5 | 6F6J | CUW | 37.1508 |
6 | 6F6J | SIN | 37.1508 |
7 | 6F6J | CUW | 37.1508 |
8 | 6F6J | SIN | 37.1508 |
9 | 6F6J | SIN | 37.1508 |
10 | 6F6J | CUW | 37.1508 |
11 | 6F6J | SIN | 37.1508 |
12 | 6EXF | LYS | 38.2682 |
13 | 1DRY | AAG | 39.6648 |
14 | 1DRY | AKG | 39.6648 |
15 | 2OG7 | SIN | 40.056 |