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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 9 families. | |||||
1 | 2BTM | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
2 | 3UWV | - | 2PG | C3 H7 O7 P | C([C@H](C(.... |
3 | 3UWW | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
4 | 3UWZ | - | G2H | C3 H9 O6 P | C(C(CO)OP(.... |
5 | 3M9Y | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
6 | 3UWU | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1IIH | Ki = 1.3 mM | 3PG | C3 H7 O7 P | C([C@H](C(.... |
2 | 2X1T | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
3 | 5I3K | Ki = 12 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
4 | 2VEL | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
5 | 5I3I | Ki = 2.6 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
6 | 2V2C | Ki = 0.39 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
7 | 2VEN | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
8 | 5I3H | Ki = 120 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
9 | 2X1S | - | X1S | C3 H6 O5 S | C(CS(=O)(=.... |
10 | 1KV5 | Ki = 60 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
11 | 4TIM | Ki = 6.9 mM | 2PG | C3 H7 O7 P | C([C@H](C(.... |
12 | 1TTJ | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
13 | 6TIM | Ki = 0.61 mM | G3P | C3 H9 O6 P | C([C@H](CO.... |
14 | 1TRD | Ki = 4 uM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
15 | 2VEK | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
16 | 2V2H | Ki = 0.17 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
17 | 2J27 | Ki = 0.3 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
18 | 4PC8 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
19 | 2X1R | - | X1R | C6 H12 O4 S | CCCS(=O)(=.... |
20 | 2X2G | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
21 | 1TTI | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
22 | 6UP5 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
23 | 6UPF | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
24 | 1NF0 | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
25 | 7TIM | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
26 | 2YPI | Ki = 15 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
27 | 1NEY | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
28 | 2BTM | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
29 | 5EYW | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
30 | 6NEE | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
31 | 4YMZ | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
32 | 3UWV | - | 2PG | C3 H7 O7 P | C([C@H](C(.... |
33 | 3UWW | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
34 | 3UWZ | - | G2H | C3 H9 O6 P | C(C(CO)OP(.... |
35 | 3M9Y | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
36 | 3UWU | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
37 | 1LYX | Ki = 0.029 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
38 | 1O5X | - | 3PY | C3 H4 O4 | C(C(=O)C(=.... |
39 | 2VFH | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
40 | 1M7O | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
41 | 2VFE | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
42 | 2VFI | Ki = 1.9 mM | 3PG | C3 H7 O7 P | C([C@H](C(.... |
43 | 1M7P | - | G3H | C3 H7 O6 P | C([C@H](C=.... |
44 | 3PVF | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
45 | 2VFG | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
46 | 3TAO | Kd = 7.28 uM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
47 | 1SUX | - | BTS | C10 H11 N O3 S3 | c1ccc2c(c1.... |
48 | 1TPW | Ki = 0.5 mM | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
49 | 1SW3 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
50 | 1TPB | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
51 | 1SW0 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
52 | 1TPH | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
53 | 1TPU | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
54 | 1TPV | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
55 | 1SW7 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
56 | 1TPC | - | PGH | C2 H6 N O6 P | C(C(=O)NO).... |
57 | 2VXN | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
58 | 2Y62 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
59 | 1AMK | Ki = 0.05 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
60 | 2Y61 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
61 | 1QDS | Ki = 0.048 mM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
62 | 1N55 | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
63 | 1IF2 | - | 129 | C3 H8 N O5 P | C(CP(=O)(O.... |
64 | 6OOI | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
65 | 6BVE | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
66 | 4BI6 | Kd = 113.3 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
67 | 4BI7 | Kd = 26.4 uM | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
68 | 6OOG | - | PGA | C2 H5 O6 P | C(C(=O)O)O.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LLQ | 0.9559 |
2 | PPV | 0.9450 |
3 | 13P | 0.9448 |
4 | PEP | 0.9440 |
5 | O7U | 0.9432 |
6 | XSP | 0.9417 |
7 | PGA | 0.9411 |
8 | G3H | 0.9397 |
9 | 0V5 | 0.9380 |
10 | 3SL | 0.9358 |
11 | 3PG | 0.9340 |
12 | SEP | 0.9340 |
13 | POP | 0.9331 |
14 | GP9 | 0.9315 |
15 | AUD | 0.9315 |
16 | SPV | 0.9297 |
17 | 1DV | 0.9290 |
18 | 2PN | 0.9277 |
19 | PAH | 0.9271 |
20 | PMB | 0.9269 |
21 | FB2 | 0.9253 |
22 | TB6 | 0.9249 |
23 | GLY CYS | 0.9236 |
24 | PIS | 0.9235 |
25 | A13 | 0.9223 |
26 | XCZ | 0.9212 |
27 | S0H | 0.9202 |
28 | MJ2 | 0.9195 |
29 | G3P | 0.9191 |
30 | ODV | 0.9186 |
31 | 7VD | 0.9179 |
32 | FBW | 0.9178 |
33 | 1GP | 0.9166 |
34 | PPR | 0.9162 |
35 | PEQ | 0.9161 |
36 | QMP | 0.9157 |
37 | DS0 | 0.9155 |
38 | 51R | 0.9152 |
39 | PAE | 0.9149 |
40 | GZ3 | 0.9144 |
41 | MDN | 0.9144 |
42 | HIO | 0.9134 |
43 | 1DQ | 0.9132 |
44 | HDA | 0.9129 |
45 | P22 | 0.9126 |
46 | R67 | 0.9124 |
47 | PMF | 0.9119 |
48 | 2DR | 0.9109 |
49 | MPD | 0.9107 |
50 | DCL | 0.9107 |
51 | ORO | 0.9107 |
52 | ASP | 0.9101 |
53 | 6JN | 0.9095 |
54 | BNS | 0.9091 |
55 | PZI | 0.9088 |
56 | COI | 0.9083 |
57 | SAT | 0.9079 |
58 | UY7 | 0.9078 |
59 | PSE | 0.9078 |
60 | IHG | 0.9076 |
61 | CP | 0.9076 |
62 | PCT | 0.9069 |
63 | TLA | 0.9069 |
64 | ITN | 0.9067 |
65 | GAB | 0.9067 |
66 | AGK | 0.9063 |
67 | D1X | 0.9058 |
68 | CRN | 0.9054 |
69 | 3HB | 0.9051 |
70 | GLU | 0.9051 |
71 | 4HM | 0.9049 |
72 | II6 | 0.9048 |
73 | DCO | 0.9047 |
74 | 6PC | 0.9046 |
75 | 3NT | 0.9040 |
76 | 2RH | 0.9039 |
77 | FB1 | 0.9038 |
78 | MLE | 0.9037 |
79 | I2M | 0.9036 |
80 | CIZ | 0.9033 |
81 | SC2 | 0.9028 |
82 | OVV | 0.9025 |
83 | SAL | 0.9023 |
84 | BE2 | 0.9022 |
85 | HX2 | 0.9021 |
86 | DBX | 0.9020 |
87 | LEU | 0.9019 |
88 | GG6 | 0.9016 |
89 | DAS | 0.9016 |
90 | PGH | 0.9015 |
91 | NMJ | 0.9014 |
92 | OXC | 0.9014 |
93 | TAR | 0.9011 |
94 | A09 | 0.9010 |
95 | AHR | 0.9010 |
96 | FPK | 0.9009 |
97 | PAC | 0.9002 |
98 | ASN | 0.9001 |
99 | RB5 | 0.8999 |
100 | 3AB | 0.8995 |
101 | GLN | 0.8995 |
102 | OSE | 0.8995 |
103 | IP0 | 0.8994 |
104 | 3MV | 0.8987 |
105 | IPZ | 0.8984 |
106 | OPE | 0.8982 |
107 | OEM | 0.8982 |
108 | FBU | 0.8980 |
109 | 1P3 | 0.8980 |
110 | XYL | 0.8979 |
111 | RB0 | 0.8979 |
112 | BHO | 0.8978 |
113 | MWP | 0.8977 |
114 | LMR | 0.8975 |
115 | HY3 | 0.8972 |
116 | SF9 | 0.8971 |
117 | FCN | 0.8970 |
118 | AL0 | 0.8970 |
119 | XLS | 0.8969 |
120 | EDR | 0.8967 |
121 | QY9 | 0.8966 |
122 | TZL | 0.8965 |
123 | NXA | 0.8964 |
124 | OAA | 0.8964 |
125 | 7WG | 0.8963 |
126 | 6M4 | 0.8963 |
127 | HPA | 0.8959 |
128 | BEZ | 0.8959 |
129 | DOR | 0.8959 |
130 | 8K2 | 0.8955 |
131 | PCA | 0.8955 |
132 | GAG | 0.8953 |
133 | 53C | 0.8953 |
134 | NIZ | 0.8949 |
135 | BEN | 0.8948 |
136 | 9J3 | 0.8947 |
137 | NIO | 0.8947 |
138 | KOJ | 0.8946 |
139 | ADE | 0.8946 |
140 | CFI | 0.8946 |
141 | 3OC | 0.8946 |
142 | RSO | 0.8945 |
143 | GUN | 0.8944 |
144 | IFM | 0.8942 |
145 | NCA | 0.8941 |
146 | 34D | 0.8941 |
147 | 60P | 0.8941 |
148 | SS2 | 0.8939 |
149 | MLT | 0.8939 |
150 | 98J | 0.8938 |
151 | BAM | 0.8937 |
152 | JYD | 0.8937 |
153 | URQ | 0.8937 |
154 | 7N0 | 0.8935 |
155 | 2EH | 0.8934 |
156 | PBC | 0.8934 |
157 | PZA | 0.8932 |
158 | ES6 | 0.8931 |
159 | 2AL | 0.8929 |
160 | 1SA | 0.8927 |
161 | FBV | 0.8924 |
162 | 5AC | 0.8921 |
163 | 3U4 | 0.8920 |
164 | HL5 | 0.8918 |
165 | 40E | 0.8917 |
166 | 6OT | 0.8916 |
167 | AN0 | 0.8915 |
168 | GJZ | 0.8915 |
169 | BTE | 0.8912 |
170 | NBZ | 0.8912 |
171 | OK7 | 0.8911 |
172 | MEV | 0.8910 |
173 | DTL | 0.8907 |
174 | ICF | 0.8906 |
175 | CMS | 0.8906 |
176 | NFQ | 0.8905 |
177 | IOM | 0.8905 |
178 | 6LW | 0.8904 |
179 | 261 | 0.8902 |
180 | 7HP | 0.8902 |
181 | 8OZ | 0.8899 |
182 | UNU | 0.8899 |
183 | AKG | 0.8898 |
184 | EKZ | 0.8897 |
185 | 4CS | 0.8897 |
186 | JKE | 0.8892 |
187 | N8P | 0.8892 |
188 | GLY ALA | 0.8891 |
189 | VNJ | 0.8891 |
190 | ZBT | 0.8888 |
191 | 2A7 | 0.8887 |
192 | IFP | 0.8881 |
193 | ISZ | 0.8879 |
194 | SIN | 0.8878 |
195 | ROR | 0.8875 |
196 | DMV | 0.8874 |
197 | RMN | 0.8872 |
198 | UGC | 0.8868 |
199 | AW5 | 0.8866 |
200 | K5W | 0.8861 |
201 | OXQ | 0.8859 |
202 | SYM | 0.8859 |
203 | RBL | 0.8857 |
204 | 3SK | 0.8856 |
205 | LTL | 0.8854 |
206 | KYD | 0.8854 |
207 | FP1 | 0.8851 |
208 | PRO | 0.8850 |
209 | HIS | 0.8849 |
210 | ACH | 0.8848 |
211 | ZZ3 | 0.8848 |
212 | 8EW | 0.8847 |
213 | 12M | 0.8846 |
214 | 3BZ | 0.8846 |
215 | CDV | 0.8846 |
216 | KDF | 0.8845 |
217 | HYP | 0.8841 |
218 | YCP | 0.8840 |
219 | GBD | 0.8840 |
220 | THE | 0.8837 |
221 | XUL | 0.8837 |
222 | XBT | 0.8836 |
223 | ILE | 0.8836 |
224 | RHU | 0.8834 |
225 | TEO | 0.8834 |
226 | FOC | 0.8834 |
227 | SMV | 0.8832 |
228 | MXN | 0.8829 |
229 | LNO | 0.8827 |
230 | TZC | 0.8826 |
231 | QSC | 0.8823 |
232 | TP5 | 0.8823 |
233 | PAF | 0.8820 |
234 | VGL | 0.8817 |
235 | F9P | 0.8817 |
236 | SS1 | 0.8816 |
237 | 2AS | 0.8816 |
238 | 6CS | 0.8815 |
239 | 1WD | 0.8813 |
240 | FBJ | 0.8813 |
241 | 51F | 0.8812 |
242 | 1LN | 0.8808 |
243 | FUM | 0.8807 |
244 | GLC | 0.8807 |
245 | AHB | 0.8800 |
246 | EYK | 0.8795 |
247 | 8GC | 0.8794 |
248 | TZE | 0.8789 |
249 | 0OC | 0.8788 |
250 | GLY GLY | 0.8786 |
251 | ORN | 0.8786 |
252 | 2TQ | 0.8785 |
253 | HSO | 0.8783 |
254 | X0V | 0.8783 |
255 | MRY | 0.8781 |
256 | JZ4 | 0.8774 |
257 | KPL | 0.8774 |
258 | EV0 | 0.8769 |
259 | ONL | 0.8769 |
260 | ZGL | 0.8769 |
261 | WCE | 0.8766 |
262 | DGL | 0.8765 |
263 | SRT | 0.8764 |
264 | BGC | 0.8764 |
265 | 1SH | 0.8761 |
266 | PRZ | 0.8759 |
267 | PYC | 0.8759 |
268 | KBB | 0.8757 |
269 | GYE | 0.8756 |
270 | IVA | 0.8754 |
271 | 1DJ | 0.8753 |
272 | GLY PRO | 0.8753 |
273 | 3FH | 0.8752 |
274 | 3DO | 0.8752 |
275 | HZP | 0.8750 |
276 | MNN | 0.8749 |
277 | T9G | 0.8744 |
278 | HPV | 0.8742 |
279 | 4SV | 0.8742 |
280 | QDK | 0.8740 |
281 | 5HN | 0.8739 |
282 | 0FA | 0.8736 |
283 | CYX | 0.8734 |
284 | 4MV | 0.8732 |
285 | 54D | 0.8730 |
286 | FEH | 0.8729 |
287 | IPM | 0.8729 |
288 | I1E | 0.8727 |
289 | TRA | 0.8726 |
290 | SPA | 0.8723 |
291 | J9T | 0.8723 |
292 | RNS | 0.8721 |
293 | 4NG | 0.8719 |
294 | SKJ | 0.8719 |
295 | FQI | 0.8718 |
296 | SD4 | 0.8717 |
297 | XRG | 0.8717 |
298 | MUC | 0.8711 |
299 | GIO | 0.8710 |
300 | S76 | 0.8708 |
301 | M6W | 0.8708 |
302 | ABE | 0.8708 |
303 | XM0 | 0.8708 |
304 | 3HL | 0.8704 |
305 | RNT | 0.8698 |
306 | SVD | 0.8693 |
307 | DHS | 0.8691 |
308 | 3AL | 0.8690 |
309 | 069 | 0.8690 |
310 | 3HG | 0.8687 |
311 | MRZ | 0.8681 |
312 | PRS | 0.8681 |
313 | N7P | 0.8681 |
314 | BSX | 0.8679 |
315 | BRT | 0.8678 |
316 | NMG | 0.8675 |
317 | GRO | 0.8675 |
318 | X1S | 0.8675 |
319 | H95 | 0.8671 |
320 | BAE | 0.8662 |
321 | PRY | 0.8656 |
322 | VAH | 0.8656 |
323 | TPO | 0.8648 |
324 | AS3 | 0.8645 |
325 | K6H | 0.8643 |
326 | 9RW | 0.8639 |
327 | MET | 0.8638 |
328 | ALA ALA | 0.8637 |
329 | DA4 | 0.8630 |
330 | PBE | 0.8628 |
331 | 6KX | 0.8627 |
332 | C21 | 0.8627 |
333 | 8EZ | 0.8625 |
334 | 2HG | 0.8621 |
335 | 6MP | 0.8621 |
336 | NVA | 0.8621 |
337 | 5HY | 0.8620 |
338 | BP1 | 0.8620 |
339 | DAL DAL | 0.8615 |
340 | 7WA | 0.8613 |
341 | FLC | 0.8613 |
342 | LY0 | 0.8612 |
343 | DCD | 0.8612 |
344 | 10L | 0.8611 |
345 | GAF | 0.8606 |
346 | M58 | 0.8605 |
347 | 329 | 0.8602 |
348 | 7WV | 0.8601 |
349 | GGL | 0.8596 |
350 | 2IT | 0.8595 |
351 | IT2 | 0.8594 |
352 | 1U1 | 0.8594 |
353 | 1AL | 0.8590 |
354 | ICT | 0.8588 |
355 | ASC | 0.8588 |
356 | A20 | 0.8584 |
357 | ENL | 0.8579 |
358 | 9HX | 0.8578 |
359 | PM6 | 0.8578 |
360 | SJ5 | 0.8578 |
361 | 9DA | 0.8570 |
362 | S2G | 0.8561 |
363 | JZ7 | 0.8560 |
364 | AC0 | 0.8548 |
365 | 2CO | 0.8544 |
366 | ES4 | 0.8544 |
367 | HYA | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 3uwv.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3uwv.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |