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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 | 1CS0 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
2 | 1C30 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
3 | 1C3O | - | GLN | C5 H10 N2 O3 | C(CC(=O)N).... |
4 | 1M6V | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
5 | 1BXR | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
6 | 1KEE | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
7 | 1A9X | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
8 | 1JDB | - | GLN | C5 H10 N2 O3 | C(CC(=O)N).... |
9 | 1CE8 | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
10 | 1T36 | Kd = 9 uM | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1CS0 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
2 | 1C30 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
3 | 1C3O | - | GLN | C5 H10 N2 O3 | C(CC(=O)N).... |
4 | 1M6V | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
5 | 1BXR | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
6 | 1KEE | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
7 | 1A9X | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
8 | 1JDB | - | GLN | C5 H10 N2 O3 | C(CC(=O)N).... |
9 | 1CE8 | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
10 | 1T36 | Kd = 9 uM | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ADP | 1 | 1 |
2 | HEJ | 0.9 | 1 |
3 | ATP | 0.9 | 1 |
4 | A2D | 0.895522 | 0.971831 |
5 | 5FA | 0.887324 | 1 |
6 | AQP | 0.887324 | 1 |
7 | AP5 | 0.884058 | 0.971831 |
8 | B4P | 0.884058 | 0.971831 |
9 | BA3 | 0.869565 | 0.971831 |
10 | AN2 | 0.84507 | 0.985915 |
11 | AT4 | 0.84507 | 0.958904 |
12 | M33 | 0.833333 | 0.958333 |
13 | ACQ | 0.826667 | 0.972222 |
14 | A | 0.823529 | 0.971429 |
15 | AMP | 0.823529 | 0.971429 |
16 | ACP | 0.821918 | 0.972222 |
17 | 6YZ | 0.818182 | 0.972222 |
18 | APR | 0.810811 | 0.971831 |
19 | AR6 | 0.810811 | 0.971831 |
20 | ANP | 0.802632 | 0.972222 |
21 | SAP | 0.8 | 0.945946 |
22 | AGS | 0.8 | 0.945946 |
23 | AD9 | 0.8 | 0.972222 |
24 | ADX | 0.783784 | 0.873418 |
25 | CA0 | 0.783784 | 0.945205 |
26 | TAT | 0.779221 | 0.958904 |
27 | T99 | 0.779221 | 0.958904 |
28 | 50T | 0.773333 | 0.958333 |
29 | ABM | 0.763889 | 0.917808 |
30 | APC | 0.763158 | 0.958904 |
31 | PRX | 0.763158 | 0.893333 |
32 | ATF | 0.759494 | 0.958904 |
33 | A22 | 0.753086 | 0.985915 |
34 | AP2 | 0.743243 | 0.958904 |
35 | A12 | 0.743243 | 0.958904 |
36 | SRA | 0.736111 | 0.918919 |
37 | ADQ | 0.73494 | 0.945205 |
38 | 25L | 0.732558 | 0.985915 |
39 | 5AL | 0.725 | 0.931507 |
40 | 2A5 | 0.717949 | 0.918919 |
41 | A1R | 0.714286 | 0.907895 |
42 | AU1 | 0.714286 | 0.972222 |
43 | A3R | 0.714286 | 0.907895 |
44 | ATR | 0.708861 | 0.971429 |
45 | ADP PO3 | 0.708861 | 0.943662 |
46 | PAP | 0.708861 | 0.985714 |
47 | SRP | 0.707317 | 0.906667 |
48 | 7D3 | 0.706667 | 0.905405 |
49 | 25A | 0.702381 | 0.971831 |
50 | 9X8 | 0.697674 | 0.92 |
51 | OAD | 0.697674 | 0.945205 |
52 | RBY | 0.6875 | 0.932432 |
53 | ADV | 0.6875 | 0.932432 |
54 | 00A | 0.686047 | 0.883117 |
55 | OOB | 0.682353 | 0.931507 |
56 | 5SV | 0.682353 | 0.848101 |
57 | 8QN | 0.682353 | 0.931507 |
58 | 3OD | 0.681818 | 0.945205 |
59 | BIS | 0.681818 | 0.933333 |
60 | ALF ADP | 0.674699 | 0.87013 |
61 | ADP ALF | 0.674699 | 0.87013 |
62 | AMO | 0.674419 | 0.932432 |
63 | 4AD | 0.674419 | 0.92 |
64 | PAJ | 0.674419 | 0.884615 |
65 | GAP | 0.670732 | 0.893333 |
66 | MAP | 0.670588 | 0.945946 |
67 | AHX | 0.666667 | 0.896104 |
68 | VO4 ADP | 0.666667 | 0.931507 |
69 | DLL | 0.666667 | 0.931507 |
70 | ADP VO4 | 0.666667 | 0.931507 |
71 | PTJ | 0.662921 | 0.896104 |
72 | 3UK | 0.659091 | 0.918919 |
73 | SON | 0.658228 | 0.932432 |
74 | LMS | 0.653333 | 0.82716 |
75 | LAD | 0.651685 | 0.860759 |
76 | WAQ | 0.651685 | 0.883117 |
77 | B5V | 0.651685 | 0.906667 |
78 | PR8 | 0.651685 | 0.85 |
79 | ITT | 0.65 | 0.943662 |
80 | 7D4 | 0.65 | 0.905405 |
81 | G5P | 0.648936 | 0.921053 |
82 | XYA | 0.647059 | 0.84507 |
83 | ADN | 0.647059 | 0.84507 |
84 | RAB | 0.647059 | 0.84507 |
85 | 1ZZ | 0.644444 | 0.839506 |
86 | ME8 | 0.644444 | 0.839506 |
87 | FYA | 0.644444 | 0.905405 |
88 | NB8 | 0.644444 | 0.896104 |
89 | TXA | 0.644444 | 0.932432 |
90 | 6AD | 0.642857 | 0.909091 |
91 | ADP BMA | 0.640449 | 0.918919 |
92 | G3A | 0.638298 | 0.921053 |
93 | DAL AMP | 0.632184 | 0.905405 |
94 | AFH | 0.631579 | 0.884615 |
95 | 9SN | 0.630435 | 0.871795 |
96 | 9ZA | 0.625 | 0.907895 |
97 | DQV | 0.625 | 0.958333 |
98 | 9ZD | 0.625 | 0.907895 |
99 | GTA | 0.625 | 0.886076 |
100 | YAP | 0.623656 | 0.894737 |
101 | B5M | 0.623656 | 0.894737 |
102 | FA5 | 0.623656 | 0.906667 |
103 | B5Y | 0.623656 | 0.894737 |
104 | UP5 | 0.622449 | 0.92 |
105 | HFD | 0.619048 | 0.945946 |
106 | XAH | 0.617021 | 0.839506 |
107 | AV2 | 0.616279 | 0.917808 |
108 | AOC | 0.615385 | 0.821918 |
109 | 48N | 0.612245 | 0.896104 |
110 | 4UV | 0.610526 | 0.894737 |
111 | 6V0 | 0.606061 | 0.896104 |
112 | NAI | 0.606061 | 0.907895 |
113 | DND | 0.606061 | 0.932432 |
114 | NAX | 0.606061 | 0.873418 |
115 | NXX | 0.606061 | 0.932432 |
116 | TXD | 0.606061 | 0.907895 |
117 | 5N5 | 0.605634 | 0.819444 |
118 | 5AS | 0.604938 | 0.77907 |
119 | A4P | 0.60396 | 0.843373 |
120 | DAT | 0.60241 | 0.905405 |
121 | A2R | 0.602273 | 0.985915 |
122 | TXE | 0.6 | 0.907895 |
123 | OMR | 0.6 | 0.851852 |
124 | 4UU | 0.597938 | 0.894737 |
125 | GA7 | 0.597938 | 0.906667 |
126 | A A | 0.597826 | 0.944444 |
127 | A4D | 0.597222 | 0.819444 |
128 | 5CD | 0.597222 | 0.805556 |
129 | AP0 | 0.594059 | 0.896104 |
130 | 4TC | 0.594059 | 0.896104 |
131 | A3P | 0.592593 | 0.971429 |
132 | T5A | 0.592233 | 0.841463 |
133 | 139 | 0.592233 | 0.873418 |
134 | 7D5 | 0.592105 | 0.878378 |
135 | ATP A A A | 0.589474 | 0.930556 |
136 | LAQ | 0.585859 | 0.839506 |
137 | MYR AMP | 0.585106 | 0.817073 |
138 | F2R | 0.580952 | 0.864198 |
139 | YLP | 0.58 | 0.819277 |
140 | UPA | 0.578431 | 0.907895 |
141 | 7DD | 0.578313 | 0.985714 |
142 | 3AM | 0.576923 | 0.929577 |
143 | ADJ | 0.576923 | 0.851852 |
144 | COD | 0.575472 | 0.811765 |
145 | NAD | 0.575472 | 0.931507 |
146 | 3AT | 0.574713 | 0.971831 |
147 | JB6 | 0.574468 | 0.883117 |
148 | 4UW | 0.574257 | 0.860759 |
149 | EP4 | 0.573333 | 0.753247 |
150 | A2P | 0.573171 | 0.957143 |
151 | CNA | 0.571429 | 0.932432 |
152 | TYM | 0.568627 | 0.906667 |
153 | PPS | 0.568182 | 0.873418 |
154 | DTA | 0.565789 | 0.786667 |
155 | M2T | 0.565789 | 0.734177 |
156 | AR6 AR6 | 0.565657 | 0.917808 |
157 | A3D | 0.564815 | 0.918919 |
158 | 80F | 0.564815 | 0.841463 |
159 | 3DH | 0.564103 | 0.773333 |
160 | G5A | 0.563218 | 0.77907 |
161 | YLB | 0.563107 | 0.819277 |
162 | YLC | 0.563107 | 0.839506 |
163 | AMP DBH | 0.561224 | 0.893333 |
164 | TYR AMP | 0.561224 | 0.87013 |
165 | MTA | 0.558442 | 0.773333 |
166 | DTP | 0.556818 | 0.905405 |
167 | AHZ | 0.554455 | 0.817073 |
168 | NA7 | 0.553191 | 0.958904 |
169 | IOT | 0.552381 | 0.831325 |
170 | ZAS | 0.55 | 0.766234 |
171 | 7MD | 0.55 | 0.8625 |
172 | ARG AMP | 0.55 | 0.829268 |
173 | IMO | 0.548781 | 0.929577 |
174 | YLA | 0.54717 | 0.819277 |
175 | NAE | 0.544643 | 0.894737 |
176 | TAD | 0.544554 | 0.884615 |
177 | A5A | 0.544444 | 0.807229 |
178 | 2AM | 0.544304 | 0.943662 |
179 | TSB | 0.543478 | 0.819277 |
180 | 6RE | 0.54321 | 0.759494 |
181 | AYB | 0.542056 | 0.809524 |
182 | NAQ | 0.539823 | 0.871795 |
183 | V3L | 0.539326 | 0.971831 |
184 | SSA | 0.538462 | 0.8 |
185 | AF3 ADP 3PG | 0.538462 | 0.8375 |
186 | ZID | 0.535088 | 0.918919 |
187 | LPA AMP | 0.533981 | 0.817073 |
188 | 52H | 0.532609 | 0.77907 |
189 | VMS | 0.532609 | 0.788235 |
190 | 54H | 0.532609 | 0.788235 |
191 | BTX | 0.53211 | 0.841463 |
192 | A3N | 0.53012 | 0.786667 |
193 | J7C | 0.53012 | 0.769231 |
194 | 5X8 | 0.528736 | 0.763158 |
195 | BT5 | 0.527273 | 0.831325 |
196 | 8X1 | 0.526882 | 0.752809 |
197 | 5CA | 0.526882 | 0.8 |
198 | 53H | 0.526882 | 0.77907 |
199 | ARU | 0.526316 | 0.860759 |
200 | EAD | 0.525862 | 0.873418 |
201 | RGT | 0.525253 | 0.958904 |
202 | OVE | 0.52439 | 0.905405 |
203 | S4M | 0.52381 | 0.666667 |
204 | 7DT | 0.522727 | 0.985714 |
205 | GDP | 0.522222 | 0.92 |
206 | DDS | 0.522222 | 0.878378 |
207 | AVV | 0.521277 | 0.896104 |
208 | NDE | 0.521008 | 0.932432 |
209 | 7MC | 0.518868 | 0.841463 |
210 | DSH | 0.518072 | 0.725 |
211 | MAO | 0.517647 | 0.759036 |
212 | NSS | 0.515789 | 0.8 |
213 | DSZ | 0.515789 | 0.8 |
214 | LSS | 0.515789 | 0.761364 |
215 | P5A | 0.515464 | 0.744444 |
216 | DZD | 0.513514 | 0.884615 |
217 | NVA LMS | 0.510417 | 0.752809 |
218 | 9K8 | 0.510204 | 0.714286 |
219 | 12D | 0.509615 | 0.785714 |
220 | M24 | 0.508772 | 0.85 |
221 | YLY | 0.508772 | 0.809524 |
222 | P1H | 0.508333 | 0.851852 |
223 | 5AD | 0.506849 | 0.746479 |
224 | GJV | 0.505882 | 0.75 |
225 | LEU LMS | 0.505155 | 0.752809 |
226 | AMP NAD | 0.504505 | 0.905405 |
227 | 4TA | 0.504505 | 0.807229 |
228 | G A A A | 0.504505 | 0.871795 |
229 | NAJ PZO | 0.504425 | 0.848101 |
230 | GSU | 0.5 | 0.77907 |
231 | 128 | 0.5 | 0.776471 |
232 | KAA | 0.5 | 0.752809 |
233 | 71V | 0.5 | 0.907895 |
234 | A3G | 0.5 | 0.8 |
235 | NDC | 0.5 | 0.871795 |
236 | 7D7 | 0.5 | 0.743243 |
237 | N0B | 0.495726 | 0.819277 |
238 | NJP | 0.495495 | 0.945946 |
239 | ODP | 0.495495 | 0.909091 |
240 | 2SA | 0.494624 | 0.932432 |
241 | 6C6 | 0.494505 | 0.881579 |
242 | SFG | 0.494382 | 0.75 |
243 | 0WD | 0.491071 | 0.921053 |
244 | YSA | 0.490196 | 0.77907 |
245 | PO4 PO4 A A A A PO4 | 0.489796 | 0.902778 |
246 | SAM | 0.48913 | 0.690476 |
247 | 6IA | 0.48913 | 0.8375 |
248 | A7D | 0.488636 | 0.776316 |
249 | 6FA | 0.488 | 0.841463 |
250 | FB0 | 0.487805 | 0.804598 |
251 | NAJ PYZ | 0.487179 | 0.807229 |
252 | A5D | 0.483516 | 0.786667 |
253 | IDP | 0.483516 | 0.918919 |
254 | SA8 | 0.483516 | 0.707317 |
255 | PGS | 0.483146 | 0.883117 |
256 | MHZ | 0.483146 | 0.697674 |
257 | DA | 0.482353 | 0.878378 |
258 | D5M | 0.482353 | 0.878378 |
259 | NEC | 0.482353 | 0.746667 |
260 | NIA | 0.481928 | 0.822785 |
261 | Y3J | 0.480519 | 0.726027 |
262 | 8PZ | 0.480392 | 0.8 |
263 | FAD | 0.480315 | 0.851852 |
264 | FAS | 0.480315 | 0.851852 |
265 | FDA | 0.48 | 0.833333 |
266 | N6P | 0.479592 | 0.915493 |
267 | GGZ | 0.479167 | 0.825 |
268 | U A | 0.478261 | 0.907895 |
269 | SAH | 0.478261 | 0.74359 |
270 | SAI | 0.478261 | 0.734177 |
271 | A G | 0.477876 | 0.883117 |
272 | NPW | 0.477477 | 0.886076 |
273 | NDP | 0.477477 | 0.921053 |
274 | AAM | 0.476744 | 0.971429 |
275 | C2R | 0.47561 | 0.90411 |
276 | AMZ | 0.47561 | 0.916667 |
277 | A A A | 0.474747 | 0.905405 |
278 | GTP | 0.473684 | 0.92 |
279 | U A G G | 0.473684 | 0.883117 |
280 | SMM | 0.473684 | 0.686047 |
281 | NZQ | 0.473214 | 0.909091 |
282 | TXP | 0.473214 | 0.921053 |
283 | A3S | 0.47191 | 0.810811 |
284 | SFD | 0.46875 | 0.734043 |
285 | AIR | 0.468354 | 0.901408 |
286 | AAT | 0.468085 | 0.707317 |
287 | EEM | 0.468085 | 0.690476 |
288 | J7V | 0.466667 | 0.833333 |
289 | Z5A | 0.466667 | 0.77907 |
290 | 7C5 | 0.466667 | 0.818182 |
291 | 62F | 0.465649 | 0.8625 |
292 | HDV | 0.463158 | 0.893333 |
293 | FAY | 0.462121 | 0.8625 |
294 | A3T | 0.461538 | 0.821918 |
295 | ETB | 0.461538 | 0.833333 |
296 | DCA | 0.461538 | 0.823529 |
297 | A6D | 0.46 | 0.722892 |
298 | A U | 0.459459 | 0.87013 |
299 | GEK | 0.459184 | 0.7375 |
300 | 6K6 | 0.459184 | 0.930556 |
301 | RFL | 0.458647 | 0.821429 |
302 | NAP | 0.458333 | 0.945205 |
303 | S7M | 0.458333 | 0.690476 |
304 | 4YB | 0.457944 | 0.761364 |
305 | WSA | 0.454545 | 0.788235 |
306 | TAP | 0.454545 | 0.907895 |
307 | FNK | 0.454545 | 0.804598 |
308 | COA | 0.453782 | 0.823529 |
309 | 0T1 | 0.453782 | 0.823529 |
310 | 101 | 0.453488 | 0.878378 |
311 | XNP | 0.452174 | 0.873418 |
312 | NA0 | 0.45082 | 0.932432 |
313 | 7RP | 0.448276 | 0.928571 |
314 | GP3 | 0.446809 | 0.921053 |
315 | TM1 | 0.446602 | 0.77381 |
316 | APU | 0.446429 | 0.894737 |
317 | PUA | 0.445378 | 0.884615 |
318 | V1N | 0.443396 | 0.917808 |
319 | 7RA | 0.443182 | 0.957747 |
320 | COS | 0.442623 | 0.804598 |
321 | AMX | 0.442623 | 0.833333 |
322 | 30N | 0.442623 | 0.752688 |
323 | CAO | 0.442623 | 0.795455 |
324 | QQY | 0.44186 | 0.815789 |
325 | ACK | 0.44186 | 0.861111 |
326 | 649 | 0.441441 | 0.744444 |
327 | 0UM | 0.44 | 0.698795 |
328 | NHD | 0.439655 | 0.905405 |
329 | CMX | 0.439024 | 0.823529 |
330 | SCO | 0.439024 | 0.823529 |
331 | GCP | 0.438776 | 0.896104 |
332 | 8BR | 0.438202 | 0.906667 |
333 | GNH | 0.4375 | 0.907895 |
334 | 8Q2 | 0.4375 | 0.772727 |
335 | 3AD | 0.4375 | 0.805556 |
336 | NVA 2AD | 0.43617 | 0.759494 |
337 | 62X | 0.435644 | 0.666667 |
338 | FCX | 0.435484 | 0.795455 |
339 | ACO | 0.435484 | 0.795455 |
340 | FAM | 0.435484 | 0.804598 |
341 | 9JJ | 0.434783 | 0.8625 |
342 | GNP | 0.434343 | 0.896104 |
343 | 9GM | 0.434343 | 0.896104 |
344 | NMX | 0.433071 | 0.76087 |
345 | MGP | 0.43299 | 0.884615 |
346 | 26A | 0.432099 | 0.763158 |
347 | HAX | 0.432 | 0.804598 |
348 | K15 | 0.431373 | 0.682353 |
349 | DG1 | 0.430894 | 0.921053 |
350 | 1DG | 0.430894 | 0.921053 |
351 | QQX | 0.430233 | 0.805195 |
352 | 2VA | 0.430108 | 0.8 |
353 | S8M | 0.43 | 0.759494 |
354 | 2MC | 0.429688 | 0.769231 |
355 | 6G0 | 0.428571 | 0.884615 |
356 | P5F | 0.428571 | 0.823529 |
357 | FYN | 0.428571 | 0.823529 |
358 | 3KK | 0.428571 | 0.804598 |
359 | A C A C | 0.428571 | 0.848101 |
360 | 7L1 | 0.427419 | 0.795455 |
361 | FAI | 0.426966 | 0.916667 |
362 | RMB | 0.426966 | 0.873239 |
363 | AS | 0.426966 | 0.833333 |
364 | 1RB | 0.425287 | 0.885714 |
365 | CA6 | 0.425197 | 0.729167 |
366 | SOP | 0.425197 | 0.804598 |
367 | OXK | 0.425197 | 0.804598 |
368 | MCD | 0.425197 | 0.804598 |
369 | COK | 0.425197 | 0.804598 |
370 | G1R | 0.424242 | 0.907895 |
371 | SXZ | 0.423077 | 0.710843 |
372 | CC5 | 0.423077 | 0.816901 |
373 | F2N | 0.422535 | 0.813953 |
374 | EO7 | 0.422222 | 0.788235 |
375 | ANZ | 0.422018 | 0.8 |
376 | 1VU | 0.421875 | 0.795455 |
377 | CMC | 0.421875 | 0.804598 |
378 | CO6 | 0.421875 | 0.804598 |
379 | ZDA | 0.421053 | 0.864865 |
380 | GKE | 0.420561 | 0.884615 |
381 | GDC | 0.420561 | 0.884615 |
382 | GDD | 0.420561 | 0.884615 |
383 | NFD | 0.420168 | 0.883117 |
384 | GSP | 0.42 | 0.873418 |
385 | D3Y | 0.42 | 0.789474 |
386 | MC4 | 0.419847 | 0.76087 |
387 | 3D1 | 0.419753 | 0.773333 |
388 | 3L1 | 0.419753 | 0.773333 |
389 | FA9 | 0.41958 | 0.864198 |
390 | 5GP | 0.419355 | 0.906667 |
391 | G | 0.419355 | 0.906667 |
392 | KB1 | 0.419048 | 0.698795 |
393 | CAJ | 0.418605 | 0.804598 |
394 | SCD | 0.418605 | 0.823529 |
395 | CMP | 0.417582 | 0.901408 |
396 | 2BA | 0.417582 | 0.915493 |
397 | SO8 | 0.416667 | 0.789474 |
398 | VRT | 0.416667 | 0.769231 |
399 | N01 | 0.416667 | 0.905405 |
400 | IVC | 0.415385 | 0.813953 |
401 | 1HE | 0.415385 | 0.786517 |
402 | A1S | 0.415385 | 0.804598 |
403 | BCO | 0.415385 | 0.804598 |
404 | 3HC | 0.415385 | 0.813953 |
405 | MLC | 0.415385 | 0.804598 |
406 | NMN AMP PO4 | 0.415254 | 0.87013 |
407 | 2FA | 0.414634 | 0.813333 |
408 | MGO | 0.414141 | 0.860759 |
409 | 3NZ | 0.413462 | 0.782051 |
410 | COO | 0.412214 | 0.804598 |
411 | MCA | 0.412214 | 0.795455 |
412 | YE1 | 0.412214 | 0.813953 |
413 | CAA | 0.412214 | 0.813953 |
414 | GAV | 0.411765 | 0.884615 |
415 | PRT | 0.411215 | 0.931507 |
416 | JLN | 0.411111 | 0.890411 |
417 | P2P | 0.411111 | 0.902778 |
418 | ZZB | 0.410256 | 0.77381 |
419 | SP1 | 0.409091 | 0.842105 |
420 | RP1 | 0.409091 | 0.842105 |
421 | 2CP | 0.409091 | 0.795455 |
422 | SCA | 0.409091 | 0.804598 |
423 | 103 | 0.409091 | 0.837838 |
424 | PAX | 0.408 | 0.829268 |
425 | FAD NBT | 0.407143 | 0.75 |
426 | COW | 0.406015 | 0.795455 |
427 | 3CP | 0.406015 | 0.804598 |
428 | IRC | 0.406015 | 0.813953 |
429 | BYC | 0.406015 | 0.804598 |
430 | CA8 | 0.406015 | 0.729167 |
431 | 1GZ | 0.406015 | 0.795455 |
432 | COF | 0.406015 | 0.786517 |
433 | HGG | 0.406015 | 0.804598 |
434 | 2KQ | 0.406015 | 0.786517 |
435 | G2P | 0.405941 | 0.884615 |
436 | SLU | 0.404959 | 0.770115 |
437 | U A C C | 0.404959 | 0.858974 |
438 | RBZ | 0.404494 | 0.849315 |
439 | 1CZ | 0.404412 | 0.795455 |
440 | FAQ | 0.402985 | 0.804598 |
441 | BCA | 0.402985 | 0.795455 |
442 | 4CA | 0.402985 | 0.795455 |
443 | MTP | 0.402439 | 0.730769 |
444 | 8OD | 0.402062 | 0.945205 |
445 | CO7 | 0.401515 | 0.804598 |
446 | GRA | 0.4 | 0.804598 |
447 | G2R | 0.4 | 0.884615 |
448 | ENQ | 0.4 | 0.916667 |
449 | CNV FAD | 0.4 | 0.8 |
450 | GMV | 0.4 | 0.896104 |
451 | HXC | 0.4 | 0.786517 |
452 | HF7 | 0.4 | 0.893333 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ORN | 1 | 1 |
2 | DLY | 0.714286 | 0.961538 |
3 | API | 0.653846 | 0.785714 |
4 | DAB | 0.615385 | 0.888889 |
5 | NLE | 0.566667 | 0.724138 |
6 | 2YH | 0.564103 | 0.757576 |
7 | 11C | 0.548387 | 0.724138 |
8 | UN1 | 0.548387 | 0.724138 |
9 | 0TF | 0.536585 | 0.714286 |
10 | LYS | 0.53125 | 0.925926 |
11 | DHH | 0.53125 | 0.7 |
12 | NPI | 0.515152 | 0.7 |
13 | ONH | 0.515152 | 0.735294 |
14 | 6CL | 0.5 | 0.758621 |
15 | 26P | 0.5 | 0.65625 |
16 | HSE | 0.5 | 0.733333 |
17 | 2RA | 0.5 | 0.785714 |
18 | CIR | 0.485714 | 0.735294 |
19 | NVA | 0.482759 | 0.714286 |
20 | HCS | 0.482759 | 0.814815 |
21 | MLY | 0.472222 | 0.631579 |
22 | ARG | 0.472222 | 0.757576 |
23 | 2NP | 0.472222 | 0.6 |
24 | MLZ | 0.472222 | 0.757576 |
25 | DAR | 0.472222 | 0.757576 |
26 | CUW | 0.470588 | 0.833333 |
27 | 2YJ | 0.465116 | 0.714286 |
28 | 2YG | 0.454545 | 0.714286 |
29 | MSE | 0.454545 | 0.636364 |
30 | GLU | 0.451613 | 0.689655 |
31 | DGL | 0.451613 | 0.689655 |
32 | DGN | 0.451613 | 0.677419 |
33 | GGL | 0.451613 | 0.689655 |
34 | GLN | 0.451613 | 0.677419 |
35 | DSN | 0.444444 | 0.689655 |
36 | DBB | 0.444444 | 0.666667 |
37 | ABA | 0.444444 | 0.666667 |
38 | SER | 0.444444 | 0.689655 |
39 | 5CT | 0.44186 | 0.735294 |
40 | WT2 | 0.439024 | 0.78125 |
41 | HRG | 0.435897 | 0.757576 |
42 | ALY | 0.435897 | 0.735294 |
43 | ILO | 0.435897 | 0.757576 |
44 | AS2 | 0.433333 | 0.62069 |
45 | DCY | 0.428571 | 0.740741 |
46 | CYS | 0.428571 | 0.740741 |
47 | C2N | 0.428571 | 0.703704 |
48 | NOT | 0.425 | 0.705882 |
49 | EXY | 0.425 | 0.611111 |
50 | ONL | 0.424242 | 0.625 |
51 | 2FM | 0.416667 | 0.677419 |
52 | NMM | 0.414634 | 0.714286 |
53 | HAR | 0.414634 | 0.625 |
54 | VUR | 0.414634 | 0.735294 |
55 | 4JK | 0.414634 | 0.714286 |
56 | MET | 0.411765 | 0.65625 |
57 | MED | 0.411765 | 0.65625 |
This union binding pocket(no: 1) in the query (biounit: 1t36.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2FAH | MLA | 1.97368 |
2 | 5YV5 | ADP | 2.05224 |
3 | 2H8H | H8H | 2.05607 |
4 | 4JR7 | GNP | 2.13904 |
5 | 6GZD | LCI | 2.13904 |
6 | 5WNL | STU | 2.33918 |
7 | 3HMO | STU | 2.33918 |
8 | 5DZT | AMP | 2.35602 |
9 | 4ZGP | ADP | 2.38908 |
10 | 4YZN | 4K5 | 2.43902 |
11 | 4PZ6 | GMP | 2.48139 |
12 | 3TDV | GDP | 2.61438 |
13 | 5VLQ | ANP | 2.6178 |
14 | 3UDZ | ADP | 2.63692 |
15 | 6EOM | ALA LYS | 2.65018 |
16 | 5YK1 | ANP | 2.65487 |
17 | 4BHN | BH9 | 2.69461 |
18 | 4G5H | UD7 | 2.75482 |
19 | 6FL8 | ADP | 2.76596 |
20 | 6FL8 | TIY | 2.76596 |
21 | 1YQT | ADP | 2.7881 |
22 | 4UXL | 5P8 | 2.79503 |
23 | 4O4F | ATP | 2.82258 |
24 | 4O4F | IHP | 2.82258 |
25 | 4IX4 | ADP | 2.85714 |
26 | 2PYW | ADP | 2.85714 |
27 | 3X01 | AMP | 2.87958 |
28 | 5CKW | ANP | 2.88248 |
29 | 5X8I | SQZ | 2.89017 |
30 | 5LVP | ATP | 2.89389 |
31 | 2WQN | ADP | 2.90323 |
32 | 6G33 | 5ID | 2.94985 |
33 | 3DNT | ATP | 2.95455 |
34 | 4L3L | 5FI | 2.96053 |
35 | 3PE2 | E1B | 2.96736 |
36 | 5IH9 | 6BF | 2.98507 |
37 | 2VN9 | GVD | 2.99003 |
38 | 4BFM | ANP | 2.99401 |
39 | 5HCY | 60D | 3.02115 |
40 | 4CLI | 5P8 | 3.0581 |
41 | 5OES | ADP | 3.10559 |
42 | 6CMJ | F6J | 3.11526 |
43 | 3C0G | 3AM | 3.1339 |
44 | 4U98 | ACP | 3.14136 |
45 | 1NJJ | GET | 3.14136 |
46 | 4CYI | ATP | 3.14136 |
47 | 2WHP | HI6 | 3.14136 |
48 | 1XJD | STU | 3.18841 |
49 | 4X7Q | 3YR | 3.20513 |
50 | 3KRL | KRL | 3.28358 |
51 | 2PVF | ACP | 3.29341 |
52 | 4H3Q | ANP | 3.31492 |
53 | 4H3P | ANP | 3.31492 |
54 | 2ZV2 | 609 | 3.3557 |
55 | 5MW8 | ATP | 3.39703 |
56 | 3TXO | 07U | 3.39943 |
57 | 4L9I | 8PR | 3.40314 |
58 | 4PNI | KQQ | 3.40314 |
59 | 3KAL | ADP | 3.40314 |
60 | 5UIU | 8CG | 3.40557 |
61 | 4OCV | ANP | 3.43008 |
62 | 1U5R | ATP | 3.44828 |
63 | 3RI1 | 3RH | 3.51438 |
64 | 6F5W | KG1 | 3.52304 |
65 | 2FB3 | 5AD | 3.52941 |
66 | 2FB3 | MET | 3.52941 |
67 | 3I0O | ADP | 3.53982 |
68 | 3DLS | ADP | 3.58209 |
69 | 2HGS | ADP | 3.5865 |
70 | 6A1G | 9OL | 3.61111 |
71 | 2PUL | ACP | 3.66492 |
72 | 4IJP | 1EH | 3.66492 |
73 | 5KOD | IAC | 3.66492 |
74 | 6F3G | CJN | 3.72881 |
75 | 3PUN | FUC GAL NDG FUC | 3.79747 |
76 | 3A4M | ADP | 3.84615 |
77 | 3WVR | AMP | 3.9267 |
78 | 4GCZ | FMN | 3.9267 |
79 | 1ZY5 | ANP | 3.9604 |
80 | 4P25 | FUC GAL NAG FUC | 3.97351 |
81 | 4Y0X | ADP | 4 |
82 | 5TQZ | GLC | 4 |
83 | 1Z2P | I3S | 4.01235 |
84 | 1Z2P | ACP | 4.01235 |
85 | 4DC2 | ADE | 4.0404 |
86 | 5Y86 | HRM | 4.08163 |
87 | 5OMY | 9YE | 4.09207 |
88 | 5HVJ | ANP | 4.12698 |
89 | 2Z49 | AMG | 4.16667 |
90 | 4R78 | AMP | 4.20712 |
91 | 3TII | ANP | 4.21053 |
92 | 4XH0 | ADP | 4.21836 |
93 | 4GLW | 0XT | 4.2623 |
94 | 5CEO | 50D | 4.28705 |
95 | 5EFQ | ADP | 4.32277 |
96 | 4OTH | DRN | 4.39883 |
97 | 4CC6 | L5Y | 4.40252 |
98 | 5YF9 | NIO | 4.42478 |
99 | 4LOO | SB4 | 4.43213 |
100 | 5U6C | 7YS | 4.44444 |
101 | 1M0W | ANP | 4.45026 |
102 | 4TVD | BGC | 4.45026 |
103 | 2BMB | PMM | 4.45026 |
104 | 4GYI | ADP | 4.53401 |
105 | 5AWM | ANP | 4.56853 |
106 | 5LI9 | ACP | 4.57143 |
107 | 3KN5 | ANP | 4.61538 |
108 | 3V8S | 0HD | 4.63415 |
109 | 4B2D | SER | 4.71204 |
110 | 6FYV | 3NG | 4.74777 |
111 | 4CS9 | AMP | 4.7619 |
112 | 5I35 | ANP | 4.83461 |
113 | 3SXS | PP2 | 4.85075 |
114 | 4IZY | 1J2 | 4.87805 |
115 | 4ZS4 | ATP | 4.88599 |
116 | 3HZT | J60 | 4.92505 |
117 | 1TQP | ATP | 4.96454 |
118 | 2F2U | M77 | 4.97512 |
119 | 3LXN | MI1 | 5.03145 |
120 | 2CBZ | ATP | 5.06329 |
121 | 2YRX | AMP | 5.09978 |
122 | 5GVR | LMR | 5.12821 |
123 | 4UWH | JXM | 5.15807 |
124 | 5VC5 | 96M | 5.19031 |
125 | 3ALN | ANP | 5.19878 |
126 | 4URS | C2E | 5.31915 |
127 | 2J83 | BAT | 5.34351 |
128 | 2F57 | 23D | 5.36278 |
129 | 1PHK | ATP | 5.36913 |
130 | 1OXV | ANP | 5.38244 |
131 | 6EV2 | BGC | 5.40541 |
132 | 2VZ6 | FEF | 5.43131 |
133 | 2DC1 | CIT | 5.50847 |
134 | 3M2W | L8I | 5.68562 |
135 | 1K3A | ACP | 5.68562 |
136 | 4NZN | ANP | 5.75758 |
137 | 4NZN | 2OU | 5.75758 |
138 | 4G17 | 0VN | 5.75758 |
139 | 2PZI | AXX | 5.75916 |
140 | 4UAL | 3FV | 5.75916 |
141 | 3B99 | U51 | 5.75916 |
142 | 4AUA | 4AU | 5.86319 |
143 | 4OAV | ACP | 5.86552 |
144 | 2AQX | ATP | 5.88235 |
145 | 5MJA | 7O3 | 5.90164 |
146 | 1PK8 | ATP | 5.92417 |
147 | 6AC9 | ANP | 5.94595 |
148 | 4O1P | ANP | 5.99721 |
149 | 5W4W | 9WG | 6.0423 |
150 | 4KBA | 1QM | 6.0423 |
151 | 6CQF | F97 | 6.06061 |
152 | 5JZJ | AN2 | 6.06061 |
153 | 1BYG | STU | 6.11511 |
154 | 2ZX2 | RAM | 6.15385 |
155 | 2X1E | X1E | 6.16247 |
156 | 3TKI | S25 | 6.19195 |
157 | 2HY0 | 306 | 6.21118 |
158 | 1CM8 | ANP | 6.26703 |
159 | 2AWN | ADP | 6.29921 |
160 | 4U44 | 3D9 | 6.3253 |
161 | 5FAG | PPI | 6.34146 |
162 | 5OKT | 9XK | 6.36943 |
163 | 1I7L | ATP | 6.47249 |
164 | 5UKL | SIX | 6.48968 |
165 | 1RRV | TYD | 6.49038 |
166 | 2X7I | CIT | 6.49351 |
167 | 4KS7 | X4Z | 6.50685 |
168 | 1OBD | ATP | 6.53595 |
169 | 2Z7R | STU | 6.54206 |
170 | 5KJW | 53C | 6.5445 |
171 | 1U59 | STU | 6.62021 |
172 | 6GIN | IR2 | 6.64452 |
173 | 2O66 | FLC | 6.66667 |
174 | 3HAV | ATP | 6.68896 |
175 | 5V22 | SAH | 6.73401 |
176 | 2BPM | 529 | 6.79612 |
177 | 4A4X | JUP | 6.81004 |
178 | 4LH7 | 1X8 | 6.81115 |
179 | 2V7O | DRN | 6.84524 |
180 | 3IDB | ANP | 6.85714 |
181 | 3PLS | ANP | 7.04698 |
182 | 4FL3 | ANP | 7.06806 |
183 | 5ZTN | CUR | 7.06806 |
184 | 5HQ0 | LZ9 | 7.14286 |
185 | 6GU6 | 1QK | 7.14286 |
186 | 5AX9 | 4KT | 7.14286 |
187 | 5JLB | SAH | 7.16846 |
188 | 4HNN | LYS | 7.22543 |
189 | 4WHZ | 3NL | 7.27273 |
190 | 2JLD | AG1 | 7.38095 |
191 | 1Q8Y | ADE | 7.5067 |
192 | 1Q8Y | ADP | 7.5067 |
193 | 5M06 | ADP | 7.6087 |
194 | 4N70 | 2HX | 7.62195 |
195 | 1EHI | ADP | 7.69231 |
196 | 4UX9 | ANP | 7.69231 |
197 | 4I6H | 1C8 | 7.79221 |
198 | 4OH4 | ANP | 7.80781 |
199 | 5LPZ | ADP | 7.83133 |
200 | 4AZW | ATP | 7.8534 |
201 | 5H2U | 1N1 | 7.86517 |
202 | 3CY2 | MB9 | 7.96178 |
203 | 1SBR | VIB | 8 |
204 | 5SVV | FMN | 8.0292 |
205 | 2WU6 | DKI | 8.13648 |
206 | 2C3H | GLC GLC | 8.16327 |
207 | 2FR6 | CTN | 8.21918 |
208 | 4FG8 | ATP | 8.25397 |
209 | 3ZRM | ZRM | 8.35579 |
210 | 5YW5 | ADE | 8.37989 |
211 | 5YSQ | INS | 8.39161 |
212 | 1DKU | AP2 | 8.51735 |
213 | 5COU | ATP | 8.52941 |
214 | 3PTG | 932 | 8.53994 |
215 | 5T8O | 76Z | 8.59599 |
216 | 3AKK | ADP | 8.61539 |
217 | 4I94 | ANP | 8.66667 |
218 | 2Q7D | ANP | 8.67052 |
219 | 4DFU | QUE | 8.69565 |
220 | 5LPB | ADP | 8.78378 |
221 | 5H4S | RAM | 8.80282 |
222 | 6FYL | 3NG | 8.81543 |
223 | 4NST | ADP | 8.83191 |
224 | 3F7Z | 34O | 8.85714 |
225 | 2YAB | AMP | 8.86427 |
226 | 2QF7 | AGS | 8.94688 |
227 | 5DMZ | ADP | 9.0411 |
228 | 4WW7 | AMP | 9.09091 |
229 | 1GG6 | APL | 9.16031 |
230 | 2X2M | X2M | 9.23567 |
231 | 3T50 | FMN | 9.375 |
232 | 2IO8 | ADP | 9.42408 |
233 | 4LRJ | ANP | 9.46746 |
234 | 5KO1 | 6UY | 9.54064 |
235 | 5XVG | 8FX | 9.55631 |
236 | 1V0O | INR | 9.72222 |
237 | 4WNP | 3RJ | 9.7561 |
238 | 5IM3 | DTP | 9.94764 |
239 | 3GGF | GVD | 9.96678 |
240 | 3KMW | ATP | 10.3321 |
241 | 3DAK | ANP | 10.3448 |
242 | 4BTK | DTQ | 10.3858 |
243 | 5UPK | ANP | 10.4167 |
244 | 4USF | 6UI | 10.5263 |
245 | 3SLS | ANP | 10.5263 |
246 | 2QK4 | ATP | 10.6195 |
247 | 3GC0 | AMP | 10.6383 |
248 | 4E1Z | 0MX | 10.9966 |
249 | 1ZTH | ADP | 11.2403 |
250 | 1ZP9 | ATP | 11.2403 |
251 | 1CBK | ROI | 11.25 |
252 | 5VZ0 | ADP | 11.2762 |
253 | 4XZ3 | ACP | 11.3043 |
254 | 4XYM | A12 | 11.3043 |
255 | 3PN1 | IVH | 11.3208 |
256 | 4NFN | 2KC | 11.3269 |
257 | 2RIF | AMP | 11.3475 |
258 | 3ETH | ATP | 11.5183 |
259 | 4CFU | 2WC | 11.5512 |
260 | 6GUE | FB8 | 11.5894 |
261 | 4BCM | T7Z | 11.6279 |
262 | 4BCQ | TJF | 11.6279 |
263 | 1TZD | ADP | 11.6364 |
264 | 4BCN | T9N | 11.6667 |
265 | 6BFN | DL1 | 11.6959 |
266 | 6GG9 | FMN | 11.7284 |
267 | 2B9J | ADP | 11.898 |
268 | 2B9I | ADP | 11.898 |
269 | 2B9F | ADP | 11.898 |
270 | 2B9H | ADP | 11.898 |
271 | 5G1X | ADP | 11.9298 |
272 | 6C7Y | ADP | 11.9658 |
273 | 1IA9 | ANP | 12.1429 |
274 | 3SRV | S19 | 12.2744 |
275 | 1UKZ | AMP | 12.3153 |
276 | 4F4P | 0SB | 12.4542 |
277 | 2YW2 | ATP | 12.5 |
278 | 2IF8 | ADP | 12.6722 |
279 | 1W2D | ADP | 12.8302 |
280 | 2PR5 | FMN | 12.8788 |
281 | 5TDF | ADP | 12.963 |
282 | 1GSA | ADP | 12.9747 |
283 | 3LQV | ADE | 13.913 |
284 | 5LXT | ACP | 13.986 |
285 | 5HZ9 | 5M8 | 14.0741 |
286 | 2BKK | ADP | 14.2012 |
287 | 1JBU | BEN | 14.2857 |
288 | 2DT9 | THR | 14.3713 |
289 | 5CGE | 51F | 14.4404 |
290 | 3VPD | ANP | 14.9466 |
291 | 1KJ8 | ATP | 15.0895 |
292 | 1KJ8 | GAR | 15.0895 |
293 | 3RE4 | TO1 | 15.5039 |
294 | 4AU8 | Z3R | 15.5405 |
295 | 3H9R | TAK | 15.5963 |
296 | 1UNH | IXM | 15.7534 |
297 | 3O0G | 3O0 | 15.7534 |
298 | 1JI0 | ATP | 15.8333 |
299 | 2QX0 | PH2 | 16.3522 |
300 | 4P86 | 5GP | 16.3934 |
301 | 2WEL | K88 | 16.6667 |
302 | 1AUX | AGS | 16.7203 |
303 | 4Q5H | ANP | 17.1053 |
304 | 3K5I | ADP | 17.1216 |
305 | 3K5I | AIR | 17.1216 |
306 | 3ORQ | ADP | 17.2414 |
307 | 4Y8D | 49J | 17.9412 |
308 | 4MPO | AMP | 18.3007 |
309 | 5K2M | ADP | 18.8679 |
310 | 2V58 | LZJ | 19.1537 |
311 | 4C2W | ANP | 19.2308 |
312 | 2VQD | AP2 | 19.3966 |
313 | 1IOW | ADP | 19.9346 |
314 | 1IOW | PHY | 19.9346 |
315 | 3WO0 | ADP | 20.4255 |
316 | 3WO0 | ALA | 20.4255 |
317 | 4R38 | RBF | 20.7143 |
318 | 5L8L | ADP | 22.2222 |
319 | 3VPB | ADP | 22.3404 |
320 | 3VPC | ADP | 22.3404 |
321 | 3VOT | ADP | 22.8235 |
322 | 2VPQ | ANP | 23.5033 |
323 | 5LXM | ADP | 23.6842 |
324 | 2PIE | GLU LEU LYS TPO GLU ARG TYR | 23.913 |
325 | 3V4S | ATP | 24.031 |
326 | 3V4S | ADP | 24.031 |
327 | 2GU8 | 796 | 25 |
328 | 2A19 | ANP | 25.1429 |
329 | 5ZCT | ANP | 25.817 |
330 | 4F9C | 0SX | 27.7778 |
331 | 1IR3 | ANP | 27.7778 |
332 | 1E4E | ADP | 27.9883 |
333 | 4NM5 | ADP | 29.1667 |
334 | 3E5A | VX6 | 29.5455 |
335 | 5C1P | ADP | 35.6209 |
336 | 5C1P | DAL DAL | 35.6209 |
337 | 3ZIA | ADP | 36.5079 |
338 | 4OUC | 5ID | 50 |
This union binding pocket(no: 2) in the query (biounit: 1t36.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3MKH | FAD | 1.82648 |
2 | 5H41 | IFM | 2.09424 |
3 | 5DXA | SFG | 2.29226 |
4 | 5DX1 | SFG | 2.29226 |
5 | 5DX0 | SFG | 2.29226 |
6 | 5DX8 | SFG | 2.29226 |
7 | 1R6T | TYM | 2.72537 |
8 | 3CIF | NAD | 2.78552 |
9 | 3G5D | 1N1 | 2.7972 |
10 | 5LRT | ADP | 2.95276 |
11 | 5WA0 | MSS | 3.0137 |
12 | 2B4R | NAD | 3.18841 |
13 | 2B4R | AES | 3.18841 |
14 | 5OGX | FAD | 3.27381 |
15 | 5MW8 | ATP | 3.39703 |
16 | 3GMB | FAD | 3.40314 |
17 | 4NW6 | 2NS | 3.40557 |
18 | 2PD4 | NAD | 3.63636 |
19 | 2PD4 | DCN | 3.63636 |
20 | 4IJP | 1EH | 3.66492 |
21 | 1QHO | ABD | 3.66492 |
22 | 1QAN | SAH | 3.68852 |
23 | 3PC3 | P1T | 3.79507 |
24 | 5FWA | J7C | 3.9267 |
25 | 2WTX | VDO | 3.9267 |
26 | 2WTX | UDP | 3.9267 |
27 | 1QXO | FMN | 3.9267 |
28 | 5X2Z | 3LM | 4.0201 |
29 | 3GGO | NAI | 4.14013 |
30 | 2Z48 | NGA | 4.16667 |
31 | 3VHE | 42Q | 4.17827 |
32 | 4KJG | 4NP | 4.18848 |
33 | 4KIB | SAH | 4.20168 |
34 | 4LHD | GLY | 4.45026 |
35 | 5CDH | TLA | 4.46429 |
36 | 1DSS | NAD | 4.5045 |
37 | 5K4W | THR | 4.6729 |
38 | 2WKV | COA | 4.71204 |
39 | 1SOX | MTE | 4.72103 |
40 | 4OIC | A8S | 4.83092 |
41 | 5JE0 | SAH | 4.8583 |
42 | 5JE0 | AZ8 | 4.8583 |
43 | 5UR0 | NAD | 4.87106 |
44 | 5N69 | 2OW | 4.97382 |
45 | 5ESO | ISC | 4.97382 |
46 | 5ESO | TDP | 4.97382 |
47 | 5TSU | CYS | 4.9763 |
48 | 5DH3 | 5BS | 5.07937 |
49 | 3DCM | SAM | 5.20833 |
50 | 5EJL | C2E | 5.24194 |
51 | 3S5W | ONH | 5.39957 |
52 | 4RJK | TPP | 5.49738 |
53 | 2WSB | NAD | 5.51181 |
54 | 5J60 | FAD | 5.625 |
55 | 4Y30 | SAH | 5.69801 |
56 | 4PLT | OXM | 5.74018 |
57 | 4PLT | NAI | 5.74018 |
58 | 1DY4 | SNP | 5.76037 |
59 | 1WY7 | SAH | 5.7971 |
60 | 4OAV | ACP | 5.86552 |
61 | 2AQX | ATP | 5.88235 |
62 | 2A9D | MTE | 5.91398 |
63 | 1KRH | FAD | 5.91716 |
64 | 4O1P | ANP | 5.99721 |
65 | 4K39 | SAM | 6.21622 |
66 | 4K38 | SAM | 6.21622 |
67 | 4R57 | ACO | 6.25 |
68 | 4Z0H | NAD | 6.28743 |
69 | 5FAG | PPI | 6.34146 |
70 | 6ECW | SAH | 6.34921 |
71 | 1VL8 | NAP | 6.36704 |
72 | 4FBL | SPD | 6.40569 |
73 | 3DXY | SAM | 6.42202 |
74 | 5WHT | SIA | 6.52174 |
75 | 5WHT | SIA GAL GLC | 6.52174 |
76 | 5WHT | SIA GAL | 6.52174 |
77 | 4D79 | ATP | 6.52174 |
78 | 4JE7 | BB2 | 6.59898 |
79 | 5VN0 | FAD | 6.75676 |
80 | 3LCV | SAM | 6.76157 |
81 | 3DAA | PDD | 6.85921 |
82 | 3FPZ | AHZ | 7.05521 |
83 | 4LO6 | SIA GAL | 7.06806 |
84 | 1PVN | MZP | 7.18085 |
85 | 3N5O | GSH | 7.23404 |
86 | 4KXL | 6C6 | 7.23684 |
87 | 4WAS | NAP | 7.69231 |
88 | 4WAS | COO | 7.69231 |
89 | 5WQP | NCA | 7.69231 |
90 | 4UA3 | COA | 7.73196 |
91 | 6E2O | S0L | 7.79661 |
92 | 5LU5 | M7P | 8.12183 |
93 | 2FR6 | URI | 8.21918 |
94 | 1V8B | NAD | 8.37696 |
95 | 4PW9 | MSS | 8.49057 |
96 | 1DKU | AP2 | 8.51735 |
97 | 3AIA | SAM | 8.53081 |
98 | 5T8O | 76Z | 8.59599 |
99 | 5DMZ | ADP | 9.0411 |
100 | 1FLJ | GSH | 9.23077 |
101 | 1N5D | NDP | 9.375 |
102 | 5H5F | SAM | 9.40171 |
103 | 3N7H | DE3 | 9.6 |
104 | 1GHE | ACO | 9.60452 |
105 | 3FV3 | IVA VAL VAL STA ALA STA | 10.3245 |
106 | 1U7T | TDT | 10.3448 |
107 | 3FHI | ANP | 10.3896 |
108 | 3SLS | 77D | 10.5263 |
109 | 1ZQ9 | SAM | 10.5263 |
110 | 3I7S | PYR | 10.6164 |
111 | 3R5J | ACE ALA ASP VAL ALA ASA | 10.625 |
112 | 3BY9 | SIN | 11.1538 |
113 | 4RHS | SIA SIA GAL | 11.4754 |
114 | 4DS0 | A2G GAL NAG FUC | 11.6564 |
115 | 4P5E | N6P | 11.8421 |
116 | 4X7R | 3YW | 12.3732 |
117 | 4X7R | UDP | 12.3732 |
118 | 5ME4 | HP4 | 12.4088 |
119 | 4RT1 | C2E | 12.5 |
120 | 4NJH | SAM | 13.0435 |
121 | 4NJH | 2K8 | 13.0435 |
122 | 3DJF | BC3 | 13.2404 |
123 | 3SMA | ACO | 13.2867 |
124 | 2IDO | TMP | 13.4409 |
125 | 1J54 | TMP | 13.4409 |
126 | 1X1T | NAD | 13.4615 |
127 | 5TWJ | SAM | 13.5802 |
128 | 1YZN | GNP | 14.0541 |
129 | 1F06 | 2NP | 14.6875 |
130 | 1F06 | NDP | 14.6875 |
131 | 6ECU | SAH | 14.8734 |
132 | 4UUG | PXG | 15.3614 |
133 | 5VSM | MET | 15.7233 |
134 | 4Q9N | NAI | 15.7718 |
135 | 3RK1 | ATP | 16.0338 |
136 | 1GUA | GNP | 16.1677 |
137 | 4HDO | GNP | 16.1677 |
138 | 1F8Y | 5MD | 17.8344 |
139 | 3WBF | API | 18.0328 |
140 | 2HF9 | GSP | 19.469 |
141 | 3ZLR | X0B | 19.6203 |
142 | 1G27 | BB1 | 19.6429 |
143 | 1UXG | NAD | 21.3592 |
144 | 1UXG | FUM | 21.3592 |
145 | 4F9C | 0SX | 27.7778 |
This union binding pocket(no: 3) in the query (biounit: 1t36.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4I3V | NAD | 2.04918 |
2 | 4WOE | 3S5 | 2.35602 |
3 | 4OE4 | NAD | 2.35602 |
4 | 2X1L | ADN | 2.35602 |
5 | 5ZDK | ATP | 2.35602 |
6 | 5KWW | 6YA | 2.64085 |
7 | 5OC1 | FAD | 2.83186 |
8 | 6MVU | K4V | 2.87958 |
9 | 4YWV | SSN | 2.87958 |
10 | 2NVK | NAP | 2.87958 |
11 | 1JQD | SAH | 3.08219 |
12 | 4NS3 | NAD | 3.19716 |
13 | 4I8P | NAD | 3.26923 |
14 | 4FMS | BDP | 3.27456 |
15 | 3VSV | XYS | 3.29154 |
16 | 2JK0 | ASP | 3.38462 |
17 | 2QE0 | NAP | 3.57895 |
18 | 1LVW | TYD | 3.72881 |
19 | 1F9V | ADP | 3.7464 |
20 | 5YLF | BGC | 3.89222 |
21 | 5KF6 | NAD | 3.9267 |
22 | 3HAZ | NAD | 3.9267 |
23 | 1KY8 | NAP | 3.9267 |
24 | 5X5U | NAD | 3.9604 |
25 | 5URY | PAM | 4.10959 |
26 | 3JZ4 | NAP | 4.158 |
27 | 3I27 | SID | 4.16667 |
28 | 4PXL | NAD | 4.18848 |
29 | 4FGC | PQ0 | 4.24242 |
30 | 6G28 | AR6 | 4.35967 |
31 | 1O9J | NAD | 4.39122 |
32 | 5EB4 | FAD | 4.45026 |
33 | 1EZ0 | NAP | 4.70588 |
34 | 6FK3 | PPI | 4.71204 |
35 | 2F2H | XTG | 5.04528 |
36 | 4WBD | ADP | 5.2356 |
37 | 4WBD | CIT | 5.2356 |
38 | 4K7O | EKZ | 5.35714 |
39 | 3VC1 | SAH | 5.44872 |
40 | 3VC1 | GST | 5.44872 |
41 | 4LH0 | GLV | 5.49738 |
42 | 2DC1 | CIT | 5.50847 |
43 | 1KSK | URA | 5.55556 |
44 | 5IUW | IAC | 5.75916 |
45 | 5IUW | NAD | 5.75916 |
46 | 5E70 | RCD | 5.75916 |
47 | 2Y5D | NAP | 5.80524 |
48 | 1DQN | IMU | 6.08696 |
49 | 5UY8 | AMZ | 6.28272 |
50 | 5L13 | 6ZE | 6.5445 |
51 | 5GM1 | SAH | 6.73401 |
52 | 4ZUL | UN1 | 6.80628 |
53 | 4A0M | NAD | 7.05645 |
54 | 1PVN | MZP | 7.18085 |
55 | 2EV9 | SKM | 7.22433 |
56 | 3W9F | I3P | 7.30769 |
57 | 3RHJ | NAP | 7.32984 |
58 | 4I9B | NAD | 7.3501 |
59 | 3F3E | LEU | 7.51445 |
60 | 5NM7 | GLY | 7.5188 |
61 | 2HK9 | SKM | 7.63636 |
62 | 5M90 | JIF | 7.75862 |
63 | 4A1O | JLN | 7.83939 |
64 | 1IK4 | PGH | 7.89474 |
65 | 3A76 | SPD | 7.95455 |
66 | 6HL7 | CP | 8.04598 |
67 | 4Z87 | GDP | 8.37696 |
68 | 5A7Y | SAH | 8.65385 |
69 | 4DFU | QUE | 8.69565 |
70 | 3FSY | SCA | 8.73494 |
71 | 4BQS | ADP | 9.09091 |
72 | 3IWJ | NAD | 9.14513 |
73 | 2IMP | NAI | 9.39457 |
74 | 6B5G | NAD | 9.42408 |
75 | 4PZ2 | NAD | 9.42408 |
76 | 6B5G | CQY | 9.42408 |
77 | 3VZ3 | NAP | 9.62801 |
78 | 3VZ3 | SSN | 9.62801 |
79 | 2WME | NAP | 9.68586 |
80 | 2WOX | NDP | 9.68586 |
81 | 2CFC | KPC | 10.8 |
82 | 2BJK | NAD | 10.8527 |
83 | 2P39 | SCR | 10.9677 |
84 | 5L2M | 6ZY | 11.5183 |
85 | 5VX9 | FUC GAL NAG GAL BGC | 11.8012 |
86 | 6GMN | F4E | 13.4615 |
87 | 3VPD | CIT | 14.9466 |
88 | 3LN9 | FLC | 15.8273 |
89 | 2NU8 | COA | 19.3299 |
This union binding pocket(no: 4) in the query (biounit: 1t36.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5M67 | 3D1 | 2.35602 |
2 | 5M67 | NAD | 2.35602 |
3 | 5M67 | ADE | 2.35602 |
4 | 5N0O | SAM | 2.76382 |
5 | 6BOX | SAH | 3.30033 |
6 | 6ECT | SAM | 3.42679 |
7 | 2G5C | NAD | 4.27046 |
8 | 1DL5 | SAH | 4.4164 |
9 | 1J0X | NAD | 4.51807 |
10 | 5K4W | NAI | 4.6729 |
11 | 2GQ2 | NAP | 5.03876 |
12 | 5G5G | MCN | 5.2356 |
13 | 3ZJ0 | ACO | 5.82524 |
14 | 3MTX | PGT | 5.96026 |
15 | 3H9E | NAD | 6.6474 |
16 | 5XC5 | GTP | 6.81818 |
17 | 6EJI | UD2 | 6.97051 |
18 | 1KQR | MNA | 7.26257 |
19 | 4YBN | FAD | 7.58929 |
20 | 1OLM | VTQ | 7.69231 |
21 | 5HGZ | ACO | 7.81893 |
22 | 2P3I | MNA | 8.07453 |
23 | 6MJF | SAH | 8.37696 |
24 | 5HJM | MTA | 8.52273 |
25 | 5UAV | TFB | 8.69565 |
26 | 5UAV | NDP | 8.69565 |
27 | 1NBU | PH2 | 9.2437 |
28 | 1HKU | NAD | 9.77654 |
29 | 2VBA | P4T | 9.85222 |
30 | 1Q0S | SAH | 11.1969 |
31 | 6C99 | EQY | 12.1212 |
32 | 1L1Q | 9DA | 17.2043 |
This union binding pocket(no: 5) in the query (biounit: 1t36.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3TAO | PGH | 2.62172 |
2 | 5HCY | 60D | 3.02115 |
3 | 2GMH | FAD | 3.9267 |
4 | 5LPG | 71V | 4.26829 |
5 | 1LSH | PLD | 4.70219 |
6 | 1OFL | NGK GCD | 4.71204 |
7 | 6MDE | MEV | 4.9505 |
8 | 1KC7 | PPR | 4.97382 |
9 | 4J4H | NAI | 5.01931 |
10 | 4J4H | 1J1 | 5.01931 |
11 | 4TWP | AXI | 5.53506 |
12 | 4R29 | SAM | 5.80357 |
13 | 5DRB | 5FJ | 5.84192 |
14 | 5VX5 | FUC GAL NAG GAL BGC | 6.17284 |
15 | 4RF7 | ARG | 6.82451 |
16 | 5ZYN | SIN | 7.06806 |
17 | 4WZ8 | 3W7 | 7.59162 |
18 | 5NCB | JZ3 | 8.06846 |
19 | 2I74 | MAN MAN MAN MAN | 8.46561 |
20 | 6MJ7 | ARG | 12.7273 |
21 | 1KJ1 | MAN | 12.844 |
22 | 3NZ1 | 3NY | 16.092 |
23 | 3KO0 | TFP | 17.8218 |
24 | 2YC5 | 6BC | 19.2982 |
25 | 3PMA | SCR | 41.3793 |
This union binding pocket(no: 6) in the query (biounit: 1t36.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1CKN | GTP | 2.12121 |
2 | 1CKM | GTP | 2.12121 |
3 | 4WOE | ADP | 2.35602 |
4 | 6C1S | EFV | 2.47168 |
5 | 5JKG | 6LF | 2.57235 |
6 | 3W0O | HY0 | 2.5788 |
7 | 3W0O | ADP | 2.5788 |
8 | 3G5D | 1N1 | 2.7972 |
9 | 5DXT | 5H5 | 2.87958 |
10 | 3RWP | ABQ | 2.89389 |
11 | 4AT3 | LTI | 3.01003 |
12 | 5EQY | 5RA | 3.14136 |
13 | 3ZOA | ACR | 3.14136 |
14 | 4U0I | 0LI | 3.1746 |
15 | 3TPV | ADE | 3.18182 |
16 | 6CGD | GNP | 3.27869 |
17 | 6CGD | AKN | 3.27869 |
18 | 3VSV | XYS | 3.29154 |
19 | 1JG9 | GLC | 3.40314 |
20 | 4NW6 | 2NS | 3.40557 |
21 | 6AYU | MLI | 3.45821 |
22 | 4EUU | BX7 | 3.76176 |
23 | 4XV1 | 904 | 3.76712 |
24 | 6GWR | FEW | 3.80952 |
25 | 5YLF | BGC | 3.89222 |
26 | 5HES | 032 | 3.90879 |
27 | 2CFM | AMP | 3.9267 |
28 | 2F6D | ACR | 3.9267 |
29 | 4CQE | CQE | 3.95683 |
30 | 5USZ | SKE | 4.15225 |
31 | 3VHE | 42Q | 4.17827 |
32 | 5EOB | 5QQ | 4.18848 |
33 | 5TA6 | 79D | 4.18994 |
34 | 2XOC | ADP | 4.21456 |
35 | 3VZS | CAA | 4.28016 |
36 | 5BVE | 4VG | 4.43213 |
37 | 3FC2 | IBI | 4.47761 |
38 | 3AKI | AH8 | 4.48718 |
39 | 5LI1 | ANP | 4.51977 |
40 | 3UIM | ANP | 4.60123 |
41 | 2XVD | AS6 | 4.63576 |
42 | 4PU5 | ANP | 4.63576 |
43 | 3UG4 | AHR | 4.71204 |
44 | 4N7U | 2JA | 4.73684 |
45 | 1KC7 | PPR | 4.97382 |
46 | 2R7K | AMZ | 4.98615 |
47 | 2R7K | ACP | 4.98615 |
48 | 3E7O | 35F | 5 |
49 | 5DH3 | 5BS | 5.07937 |
50 | 4EWH | T77 | 5.09091 |
51 | 4QMN | DB8 | 5.16129 |
52 | 4RDL | FUC GAL NDG FUC | 5.19481 |
53 | 2I4O | ATP | 5.2356 |
54 | 3QTP | 2PG | 5.2356 |
55 | 4P5Z | Q7M | 5.26316 |
56 | 3AQV | TAK | 5.43478 |
57 | 2GQS | ADP | 5.48523 |
58 | 6EZ6 | C5Z | 5.49738 |
59 | 5AE9 | OKO | 5.49738 |
60 | 4TWP | AXI | 5.53506 |
61 | 4RFM | 3P6 | 5.6391 |
62 | 3TM0 | ANP | 5.70342 |
63 | 3TM0 | B31 | 5.70342 |
64 | 5JGA | 6KC | 5.71429 |
65 | 1JPA | ANP | 5.76923 |
66 | 3FXU | TSU | 5.90164 |
67 | 4YMJ | 4EJ | 5.92105 |
68 | 5OLK | DTP | 6.02094 |
69 | 3K8D | KDO | 6.02094 |
70 | 1S68 | AMP | 6.0241 |
71 | 5DEY | 59T | 6.06061 |
72 | 2PVN | P63 | 6.25 |
73 | 2QLU | ADE | 6.36943 |
74 | 5TO8 | 7FM | 6.38298 |
75 | 6GQM | F8H | 6.40244 |
76 | 2JDR | GLY ARG PRO ARG THR THR SER PHE ALA GLU | 6.43275 |
77 | 2JDR | L20 | 6.43275 |
78 | 6BMN | PAP | 6.44068 |
79 | 3PVW | QRX | 6.47059 |
80 | 2J7T | 274 | 6.62252 |
81 | 1ZGS | XMM | 6.80628 |
82 | 4UP4 | NDG | 6.80628 |
83 | 1RE8 | BD2 | 6.85714 |
84 | 3FUR | Z12 | 6.98529 |
85 | 4G9N | NGA | 6.99301 |
86 | 2XMY | CDK | 7.04698 |
87 | 4FE2 | ADP | 7.05882 |
88 | 1OPK | P16 | 7.07071 |
89 | 4OUJ | LBT | 7.16612 |
90 | 4NFE | BEN | 7.173 |
91 | 2EV9 | SKM | 7.22433 |
92 | 2R5T | ANP | 7.23861 |
93 | 3BZ3 | YAM | 7.24638 |
94 | 4CSV | STI | 7.27273 |
95 | 5QIN |