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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 8 families. | |||||
1 | 3GXP | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
2 | 3HG5 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
3 | 3LX9 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 3HG3 | - | GLC GLA | n/a | n/a |
5 | 3HG2 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
6 | 3S5Y | Ki = 39 nM | DGJ | C6 H13 N O4 | C1[C@@H]([.... |
7 | 3S5Z | Ki = 16 mM | GLA | C6 H12 O6 | C([C@@H]1[.... |
8 | 3HG4 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1KTC | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 4DO4 | - | DJN | C8 H16 N2 O4 | CC(=O)N[C@.... |
3 | 4DO6 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
4 | 4DO5 | - | DGJ | C6 H13 N O4 | C1[C@@H]([.... |
5 | 3H55 | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
6 | 3H54 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
7 | 3GXP | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
8 | 3HG5 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
9 | 3LX9 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
10 | 3HG3 | - | GLC GLA | n/a | n/a |
11 | 3HG2 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
12 | 3S5Y | Ki = 39 nM | DGJ | C6 H13 N O4 | C1[C@@H]([.... |
13 | 3S5Z | Ki = 16 mM | GLA | C6 H12 O6 | C([C@@H]1[.... |
14 | 3HG4 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
15 | 1UAS | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A2G | 1 | 1 |
2 | HSQ | 1 | 1 |
3 | NAG | 1 | 1 |
4 | NGA | 1 | 1 |
5 | BM3 | 1 | 1 |
6 | NDG | 1 | 1 |
7 | BGN | 0.638298 | 0.888889 |
8 | SIZ | 0.630435 | 0.906977 |
9 | YX1 | 0.625 | 0.65 |
10 | STZ | 0.612245 | 0.65 |
11 | 16G | 0.591837 | 0.735849 |
12 | 4QY | 0.591837 | 0.735849 |
13 | BMX | 0.591837 | 0.735849 |
14 | 9C1 | 0.58 | 0.886364 |
15 | SNG | 0.5625 | 0.866667 |
16 | NG6 | 0.54902 | 0.661017 |
17 | NGS | 0.54902 | 0.661017 |
18 | GDL NAG | 0.54386 | 0.833333 |
19 | ASG | 0.538462 | 0.661017 |
20 | BG8 | 0.537037 | 0.906977 |
21 | MAG | 0.530612 | 0.909091 |
22 | 2F8 | 0.530612 | 0.909091 |
23 | NAG GAL | 0.517857 | 0.888889 |
24 | 4V5 | 0.517241 | 0.829787 |
25 | A2G NAG | 0.517241 | 0.833333 |
26 | MAN NAG | 0.508772 | 0.888889 |
27 | 4UZ | 0.508475 | 0.808511 |
28 | NAG NAG NAG NAG NAG | 0.508197 | 0.816327 |
29 | NAG NAG NAG NAG NAG NAG | 0.508197 | 0.816327 |
30 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.508197 | 0.816327 |
31 | NDG NAG NAG NAG NAG | 0.508197 | 0.816327 |
32 | MQG | 0.5 | 0.698113 |
33 | NBG | 0.5 | 0.951219 |
34 | BMX BMX BMX BM3 | 0.5 | 0.701754 |
35 | A2G GAL | 0.491228 | 0.888889 |
36 | AMU | 0.490909 | 0.930233 |
37 | NG1 | 0.490566 | 0.754717 |
38 | GN1 | 0.490566 | 0.754717 |
39 | NDG NAG | 0.47541 | 0.816327 |
40 | GAL NAG | 0.459016 | 0.888889 |
41 | NAG GAL NAG | 0.455882 | 0.833333 |
42 | NAG FUC | 0.45 | 0.888889 |
43 | 3YW | 0.448276 | 0.930233 |
44 | NAG GAL GAL | 0.446154 | 0.888889 |
45 | NAG NAG | 0.430769 | 0.816327 |
46 | GAL NGA | 0.428571 | 0.869565 |
47 | NAG G6S | 0.426471 | 0.645161 |
48 | NAG GAL FUC A2G | 0.426471 | 0.869565 |
49 | GYU | 0.42623 | 0.740741 |
50 | SER A2G | 0.42623 | 0.816327 |
51 | TNR | 0.42623 | 0.833333 |
52 | GAL NGA A2G | 0.424242 | 0.833333 |
53 | NAG BDP | 0.421875 | 0.851064 |
54 | MBG NAG | 0.419355 | 0.851064 |
55 | BGC GAL NGA | 0.41791 | 0.888889 |
56 | AZC | 0.415094 | 0.795918 |
57 | SN5 SN5 | 0.412698 | 0.705882 |
58 | MBG A2G | 0.412698 | 0.851064 |
59 | 6ZC | 0.409091 | 0.655738 |
60 | LEC | 0.409091 | 0.655738 |
61 | NAG GAL BGC GAL | 0.408451 | 0.888889 |
62 | NAG NAG NAG TMX | 0.408451 | 0.689655 |
63 | GLC | 0.404762 | 0.7 |
64 | GAL | 0.404762 | 0.7 |
65 | GIV | 0.404762 | 0.7 |
66 | BGC | 0.404762 | 0.7 |
67 | BMA | 0.404762 | 0.7 |
68 | WOO | 0.404762 | 0.7 |
69 | GAL GAL | 0.404762 | 0.7 |
70 | GLA | 0.404762 | 0.7 |
71 | MAN | 0.404762 | 0.7 |
72 | ALL | 0.404762 | 0.7 |
73 | BGC GAL | 0.404762 | 0.7 |
74 | GLC GLC | 0.404762 | 0.7 |
75 | GXL | 0.404762 | 0.7 |
76 | A2G GAL NAG | 0.402778 | 0.833333 |
77 | AMU NAG | 0.402778 | 0.8 |
78 | BMA MAN NAG | 0.4 | 0.888889 |
79 | NAG GAL FUC | 0.4 | 0.869565 |
80 | GAL FUC A2G | 0.4 | 0.869565 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DJN | 0.9822 |
2 | IFG | 0.9807 |
3 | ZPF | 0.9688 |
4 | GDL | 0.9638 |
5 | BBK | 0.9598 |
6 | 3XR | 0.9578 |
7 | LTM | 0.9467 |
8 | 2GS | 0.9447 |
9 | NOK | 0.9445 |
10 | LOG | 0.9360 |
11 | NSG | 0.9314 |
12 | BEU | 0.9308 |
13 | ALX | 0.9307 |
14 | F34 | 0.9266 |
15 | ST2 | 0.9233 |
16 | 86L | 0.9227 |
17 | TNX | 0.9221 |
18 | FDR | 0.9189 |
19 | PH2 | 0.9186 |
20 | EPR | 0.9182 |
21 | HHR | 0.9153 |
22 | GJP | 0.9144 |
23 | HHT | 0.9121 |
24 | PRF | 0.9121 |
25 | 9R5 | 0.9119 |
26 | 2KA | 0.9111 |
27 | W81 | 0.9102 |
28 | GNL | 0.9099 |
29 | UNJ | 0.9097 |
30 | 4YO | 0.9090 |
31 | 4JQ | 0.9087 |
32 | PYU | 0.9078 |
33 | 1HN | 0.9077 |
34 | NGW | 0.9076 |
35 | 4RU | 0.9075 |
36 | 9H2 | 0.9069 |
37 | PQZ | 0.9062 |
38 | HHS | 0.9062 |
39 | 54Z | 0.9059 |
40 | 6KT | 0.9058 |
41 | BNX | 0.9045 |
42 | K82 | 0.9045 |
43 | GZQ | 0.9044 |
44 | APS | 0.9041 |
45 | Y0V | 0.9036 |
46 | 2QC | 0.9026 |
47 | OQC | 0.9023 |
48 | S8A | 0.9015 |
49 | B62 | 0.9014 |
50 | 0FN | 0.9011 |
51 | 2CZ | 0.9010 |
52 | DQU | 0.9007 |
53 | 2K8 | 0.9005 |
54 | MS9 | 0.9004 |
55 | E1K | 0.9002 |
56 | DNA | 0.9002 |
57 | YI6 | 0.8999 |
58 | 68A | 0.8999 |
59 | X0U | 0.8998 |
60 | IQ5 | 0.8988 |
61 | CLZ | 0.8988 |
62 | 3VS | 0.8988 |
63 | 6ME | 0.8987 |
64 | NFM | 0.8983 |
65 | 27B | 0.8982 |
66 | LIP | 0.8979 |
67 | 4BY | 0.8978 |
68 | PQ0 | 0.8977 |
69 | L1O | 0.8975 |
70 | AU8 | 0.8969 |
71 | QX4 | 0.8966 |
72 | 44W | 0.8964 |
73 | NGT | 0.8960 |
74 | 4I8 | 0.8956 |
75 | 3ZB | 0.8946 |
76 | MSR | 0.8946 |
77 | 4TU | 0.8945 |
78 | 44V | 0.8943 |
79 | J6W | 0.8942 |
80 | K4V | 0.8940 |
81 | CFA | 0.8940 |
82 | R1P | 0.8937 |
83 | JF1 | 0.8937 |
84 | A7H | 0.8936 |
85 | 5LA | 0.8934 |
86 | CPZ | 0.8931 |
87 | QIV | 0.8927 |
88 | TSR | 0.8924 |
89 | MS0 | 0.8920 |
90 | 0HN | 0.8919 |
91 | 1F1 | 0.8919 |
92 | F4K | 0.8918 |
93 | 88L | 0.8916 |
94 | 57O | 0.8915 |
95 | 3VX | 0.8915 |
96 | KMY | 0.8913 |
97 | 36Y | 0.8912 |
98 | RNO | 0.8912 |
99 | 12T | 0.8912 |
100 | 8ZE | 0.8908 |
101 | KG1 | 0.8906 |
102 | 8MO | 0.8906 |
103 | ARP | 0.8905 |
104 | JAW | 0.8902 |
105 | CP7 | 0.8902 |
106 | H5B | 0.8900 |
107 | THA | 0.8900 |
108 | 657 | 0.8896 |
109 | SNO | 0.8895 |
110 | K3Q | 0.8892 |
111 | 3DM | 0.8890 |
112 | 327 | 0.8890 |
113 | XHP | 0.8889 |
114 | 1FD | 0.8883 |
115 | PFL | 0.8883 |
116 | 15N | 0.8883 |
117 | S24 | 0.8879 |
118 | K97 | 0.8878 |
119 | 6E8 | 0.8878 |
120 | CWJ | 0.8877 |
121 | 3A9 | 0.8876 |
122 | S7G | 0.8874 |
123 | AMH | 0.8874 |
124 | TGX | 0.8874 |
125 | I4D | 0.8871 |
126 | UA5 | 0.8866 |
127 | 4AA | 0.8861 |
128 | ODO | 0.8858 |
129 | EV2 | 0.8858 |
130 | 0HO | 0.8857 |
131 | GC2 | 0.8856 |
132 | TYL | 0.8856 |
133 | 9ZE | 0.8854 |
134 | 8NX | 0.8851 |
135 | 948 | 0.8851 |
136 | S0G | 0.8850 |
137 | S0E | 0.8850 |
138 | QBK | 0.8847 |
139 | 8WO | 0.8845 |
140 | DVQ | 0.8844 |
141 | LAO | 0.8840 |
142 | BDP | 0.8840 |
143 | MD6 | 0.8837 |
144 | 3C4 | 0.8831 |
145 | 5NI | 0.8831 |
146 | AEG | 0.8829 |
147 | 94W | 0.8827 |
148 | ST3 | 0.8826 |
149 | IAC | 0.8825 |
150 | LP8 | 0.8821 |
151 | XAZ | 0.8817 |
152 | BZJ | 0.8817 |
153 | IPD | 0.8816 |
154 | GNM | 0.8815 |
155 | 3N1 | 0.8813 |
156 | A5E | 0.8813 |
157 | OTW | 0.8812 |
158 | GO2 | 0.8810 |
159 | MP5 | 0.8809 |
160 | INE | 0.8808 |
161 | AES | 0.8806 |
162 | A7N | 0.8806 |
163 | HNT | 0.8805 |
164 | 3R4 | 0.8803 |
165 | EE8 | 0.8803 |
166 | 1CY | 0.8803 |
167 | MQN | 0.8802 |
168 | GSY | 0.8802 |
169 | JTH | 0.8801 |
170 | BA5 | 0.8799 |
171 | 6NI | 0.8799 |
172 | HBO | 0.8799 |
173 | JB8 | 0.8797 |
174 | VC3 | 0.8793 |
175 | LZB | 0.8793 |
176 | L14 | 0.8792 |
177 | 61M | 0.8790 |
178 | OMD | 0.8789 |
179 | EUE | 0.8789 |
180 | 0JD | 0.8786 |
181 | 97T | 0.8786 |
182 | 428 | 0.8785 |
183 | GF1 | 0.8785 |
184 | ST1 | 0.8784 |
185 | 363 | 0.8783 |
186 | P9E | 0.8783 |
187 | 7QD | 0.8781 |
188 | NLA | 0.8780 |
189 | 2A9 | 0.8779 |
190 | 1BW | 0.8778 |
191 | 4NS | 0.8778 |
192 | 6FZ | 0.8777 |
193 | RD4 | 0.8771 |
194 | JWB | 0.8770 |
195 | 0OK | 0.8767 |
196 | 5GT | 0.8767 |
197 | 5RO | 0.8766 |
198 | 8NB | 0.8763 |
199 | 4NP | 0.8763 |
200 | PPN | 0.8762 |
201 | 20J | 0.8761 |
202 | MVN | 0.8761 |
203 | 54E | 0.8761 |
204 | EMZ | 0.8760 |
205 | 0FO | 0.8758 |
206 | 92P | 0.8757 |
207 | 2CL | 0.8755 |
208 | ZZZ | 0.8753 |
209 | DDU | 0.8753 |
210 | 2FY | 0.8753 |
211 | AAN | 0.8750 |
212 | SKM | 0.8750 |
213 | KIB | 0.8747 |
214 | PH3 | 0.8746 |
215 | MQB | 0.8746 |
216 | KP2 | 0.8745 |
217 | EV3 | 0.8744 |
218 | B56 | 0.8743 |
219 | ANF | 0.8739 |
220 | EVA | 0.8739 |
221 | 2BX | 0.8737 |
222 | 4HP | 0.8737 |
223 | JDN | 0.8736 |
224 | 3GQ | 0.8736 |
225 | 0FK | 0.8735 |
226 | GC3 | 0.8734 |
227 | 0TU | 0.8731 |
228 | EYV | 0.8731 |
229 | 9FH | 0.8731 |
230 | ZB1 | 0.8731 |
231 | N4E | 0.8730 |
232 | I3E | 0.8730 |
233 | N91 | 0.8729 |
234 | DHY | 0.8727 |
235 | 5JQ | 0.8727 |
236 | 549 | 0.8727 |
237 | VOH | 0.8723 |
238 | RH1 | 0.8723 |
239 | ICT | 0.8723 |
240 | URC | 0.8722 |
241 | XCG | 0.8722 |
242 | F1A | 0.8721 |
243 | CIT | 0.8720 |
244 | BNT | 0.8720 |
245 | N2I | 0.8719 |
246 | GF4 | 0.8718 |
247 | PNP | 0.8716 |
248 | SBK | 0.8714 |
249 | PQK | 0.8709 |
250 | ES2 | 0.8708 |
251 | IOS | 0.8708 |
252 | 5JL | 0.8706 |
253 | AA | 0.8706 |
254 | B53 | 0.8704 |
255 | 2FQ | 0.8703 |
256 | TMG | 0.8703 |
257 | EAE | 0.8701 |
258 | ADA | 0.8700 |
259 | 9KZ | 0.8698 |
260 | N3W | 0.8697 |
261 | 80G | 0.8697 |
262 | FPL | 0.8696 |
263 | BY5 | 0.8694 |
264 | E7S | 0.8692 |
265 | MJ5 | 0.8691 |
266 | KJ5 | 0.8690 |
267 | 4BL | 0.8689 |
268 | 54X | 0.8688 |
269 | QLI | 0.8687 |
270 | 2O8 | 0.8687 |
271 | Q77 | 0.8686 |
272 | HBI | 0.8685 |
273 | BDF | 0.8685 |
274 | C1M | 0.8683 |
275 | EUH | 0.8683 |
276 | BHA | 0.8683 |
277 | H4B NO | 0.8682 |
278 | A9K | 0.8681 |
279 | X6X | 0.8680 |
280 | SNU | 0.8678 |
281 | FLC | 0.8678 |
282 | 2EC | 0.8676 |
283 | AJ1 | 0.8675 |
284 | GTR | 0.8675 |
285 | CH8 | 0.8675 |
286 | TWO | 0.8674 |
287 | 0FR | 0.8674 |
288 | OW7 | 0.8673 |
289 | KF5 | 0.8672 |
290 | IV2 | 0.8672 |
291 | KJY | 0.8671 |
292 | QIC | 0.8671 |
293 | 6HP | 0.8671 |
294 | HWD | 0.8670 |
295 | 6VD | 0.8669 |
296 | SDF | 0.8669 |
297 | CN0 | 0.8668 |
298 | CLU | 0.8668 |
299 | 9NB | 0.8667 |
300 | KGK | 0.8666 |
301 | L1Q | 0.8665 |
302 | GCB | 0.8665 |
303 | AX3 | 0.8662 |
304 | SYE | 0.8662 |
305 | KP6 | 0.8662 |
306 | CKA | 0.8661 |
307 | 293 | 0.8661 |
308 | M3Q | 0.8660 |
309 | NVU | 0.8660 |
310 | 9LI | 0.8659 |
311 | R9S | 0.8659 |
312 | IPB | 0.8658 |
313 | F52 | 0.8657 |
314 | 4MB | 0.8656 |
315 | 3QV | 0.8655 |
316 | GCU | 0.8655 |
317 | FH2 | 0.8654 |
318 | CP6 | 0.8654 |
319 | 5NS | 0.8654 |
320 | J9Q | 0.8653 |
321 | 5GU | 0.8651 |
322 | ISC | 0.8650 |
323 | 5OO | 0.8649 |
324 | FDK | 0.8649 |
325 | 5OF | 0.8649 |
326 | C2Y | 0.8648 |
327 | PMP | 0.8646 |
328 | H4B | 0.8644 |
329 | F5C | 0.8643 |
330 | 7B3 | 0.8641 |
331 | 5CU | 0.8640 |
332 | DOB | 0.8639 |
333 | JAH | 0.8637 |
334 | 15L | 0.8637 |
335 | S3C | 0.8636 |
336 | PLP | 0.8636 |
337 | L1T | 0.8635 |
338 | TYE | 0.8635 |
339 | MR1 | 0.8634 |
340 | GWM | 0.8634 |
341 | UEG | 0.8633 |
342 | 535 | 0.8633 |
343 | 1A5 | 0.8631 |
344 | Q71 | 0.8631 |
345 | CTE | 0.8630 |
346 | DC5 | 0.8630 |
347 | C53 | 0.8629 |
348 | BIO | 0.8628 |
349 | GAF | 0.8628 |
350 | MUR | 0.8627 |
351 | JA5 | 0.8626 |
352 | 5FN | 0.8625 |
353 | 8D6 | 0.8624 |
354 | 8U3 | 0.8624 |
355 | FTV | 0.8624 |
356 | ZEC | 0.8623 |
357 | MIG | 0.8623 |
358 | 36M | 0.8623 |
359 | LR5 | 0.8623 |
360 | 505 | 0.8621 |
361 | TRP | 0.8619 |
362 | X04 | 0.8618 |
363 | GNY | 0.8618 |
364 | KYA | 0.8616 |
365 | FA0 | 0.8616 |
366 | 86J | 0.8615 |
367 | G6P | 0.8615 |
368 | IFL | 0.8614 |
369 | MAJ | 0.8614 |
370 | 8HC | 0.8614 |
371 | 3MG | 0.8614 |
372 | S60 | 0.8613 |
373 | 6HO | 0.8612 |
374 | ZON | 0.8611 |
375 | 6SD | 0.8610 |
376 | L46 | 0.8610 |
377 | F69 | 0.8610 |
378 | 8TX | 0.8608 |
379 | KTJ | 0.8607 |
380 | B57 | 0.8603 |
381 | BPY | 0.8601 |
382 | BHQ | 0.8601 |
383 | RES | 0.8601 |
384 | KDV | 0.8600 |
385 | FWD | 0.8600 |
386 | 4M0 | 0.8599 |
387 | FBF | 0.8599 |
388 | 344 | 0.8596 |
389 | ZSP | 0.8596 |
390 | 67X | 0.8595 |
391 | LZ2 | 0.8594 |
392 | MNS | 0.8592 |
393 | SJK | 0.8592 |
394 | 2FX | 0.8592 |
395 | DGJ | 0.8588 |
396 | SKF | 0.8587 |
397 | GXY | 0.8586 |
398 | LDP | 0.8586 |
399 | M78 | 0.8586 |
400 | K48 | 0.8586 |
401 | 2GQ | 0.8585 |
402 | PZM | 0.8584 |
403 | 2F6 | 0.8584 |
404 | 5NE | 0.8584 |
405 | HA7 | 0.8583 |
406 | C8O | 0.8579 |
407 | 289 | 0.8578 |
408 | M4S | 0.8577 |
409 | AMR | 0.8576 |
410 | IBM | 0.8575 |
411 | 9UL | 0.8574 |
412 | SWX | 0.8574 |
413 | 0F9 | 0.8572 |
414 | TSS | 0.8570 |
415 | G1P | 0.8570 |
416 | JF2 | 0.8569 |
417 | PXL | 0.8566 |
418 | 9BF | 0.8565 |
419 | QBP | 0.8563 |
420 | DRG | 0.8563 |
421 | AMG | 0.8561 |
422 | DHK | 0.8560 |
423 | 4CM | 0.8558 |
424 | FYR | 0.8558 |
425 | 3AE | 0.8558 |
426 | P84 | 0.8556 |
427 | SQV | 0.8555 |
428 | YRL | 0.8554 |
429 | OA3 | 0.8551 |
430 | CWD | 0.8550 |
431 | B4O | 0.8544 |
432 | 0QW | 0.8539 |
433 | DHS | 0.8537 |
434 | N0Z | 0.8536 |
435 | 42J | 0.8534 |
436 | WSD | 0.8534 |
437 | 4JC | 0.8534 |
438 | FMQ | 0.8530 |
439 | TT4 | 0.8530 |
440 | 7FU | 0.8529 |
441 | MFZ | 0.8529 |
442 | Z13 | 0.8525 |
443 | 7W1 | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 3s5y.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3s5y.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |