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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 4 families. | |||||
1 | 3HXX | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 3HXU | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
3 | 3HXW | - | SSA | C13 H19 N7 O8 S | c1nc(c2c(n.... |
4 | 3HXZ | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
5 | 3HXV | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
6 | 3HXY | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 3HY0 | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3HXX | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 3HXU | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
3 | 3HXW | - | SSA | C13 H19 N7 O8 S | c1nc(c2c(n.... |
4 | 3HXZ | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
5 | 3HXV | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
6 | 3HXY | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 3HY0 | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
8 | 5V59 | - | 8X1 | C14 H19 N7 O7 S | c1nc(c2c(n.... |
9 | 1YFS | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
10 | 1YGB | - | SER | C3 H7 N O3 | C([C@@H](C.... |
11 | 1YFT | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A5A | 1 | 1 |
2 | VMS | 0.851852 | 0.97561 |
3 | 54H | 0.851852 | 0.97561 |
4 | TSB | 0.841463 | 0.987654 |
5 | LSS | 0.821429 | 0.941176 |
6 | 53H | 0.819277 | 0.963855 |
7 | SSA | 0.817073 | 0.940476 |
8 | 52H | 0.807229 | 0.963855 |
9 | 5CA | 0.797619 | 0.940476 |
10 | LEU LMS | 0.781609 | 0.930233 |
11 | DSZ | 0.77907 | 0.940476 |
12 | NVA LMS | 0.770115 | 0.930233 |
13 | NSS | 0.758621 | 0.940476 |
14 | KAA | 0.752809 | 0.908046 |
15 | GSU | 0.752809 | 0.940476 |
16 | G5A | 0.746988 | 0.940476 |
17 | YSA | 0.731183 | 0.940476 |
18 | 5AS | 0.716049 | 0.940476 |
19 | 8X1 | 0.696629 | 0.908046 |
20 | WSA | 0.673267 | 0.951807 |
21 | 8PZ | 0.666667 | 0.940476 |
22 | LMS | 0.6625 | 0.975 |
23 | P5A | 0.659574 | 0.897727 |
24 | 5AL | 0.633333 | 0.841463 |
25 | 4YB | 0.617647 | 0.918605 |
26 | 8Q2 | 0.603774 | 0.908046 |
27 | SON | 0.590909 | 0.8 |
28 | A | 0.583333 | 0.804878 |
29 | AMP | 0.583333 | 0.804878 |
30 | ABM | 0.581395 | 0.807229 |
31 | 649 | 0.579439 | 0.897727 |
32 | AHX | 0.571429 | 0.793103 |
33 | 5CD | 0.56962 | 0.707317 |
34 | 8QN | 0.56701 | 0.841463 |
35 | 9ZA | 0.56701 | 0.823529 |
36 | 9ZD | 0.56701 | 0.823529 |
37 | CA0 | 0.566667 | 0.809524 |
38 | A2D | 0.563218 | 0.807229 |
39 | 5X8 | 0.56044 | 0.714286 |
40 | 3DH | 0.559524 | 0.722892 |
41 | SRA | 0.55814 | 0.831325 |
42 | 5N5 | 0.556962 | 0.698795 |
43 | DAL AMP | 0.556701 | 0.819277 |
44 | AN2 | 0.555556 | 0.819277 |
45 | TXA | 0.554455 | 0.821429 |
46 | SRP | 0.552083 | 0.8 |
47 | AOC | 0.551724 | 0.722892 |
48 | XYA | 0.551282 | 0.719512 |
49 | ADN | 0.551282 | 0.719512 |
50 | RAB | 0.551282 | 0.719512 |
51 | A12 | 0.550562 | 0.77907 |
52 | BA3 | 0.550562 | 0.807229 |
53 | AP2 | 0.550562 | 0.77907 |
54 | ADX | 0.549451 | 0.926829 |
55 | M33 | 0.549451 | 0.819277 |
56 | AU1 | 0.549451 | 0.809524 |
57 | ADP | 0.544444 | 0.807229 |
58 | B4P | 0.544444 | 0.807229 |
59 | AP5 | 0.544444 | 0.807229 |
60 | SLU | 0.543103 | 0.929412 |
61 | AT4 | 0.538462 | 0.821429 |
62 | PRX | 0.537634 | 0.788235 |
63 | GAP | 0.536842 | 0.788235 |
64 | XAH | 0.533333 | 0.766667 |
65 | SA8 | 0.531915 | 0.666667 |
66 | ADP PO3 | 0.531915 | 0.804878 |
67 | A4D | 0.530864 | 0.719512 |
68 | EP4 | 0.53012 | 0.686047 |
69 | PAJ | 0.53 | 0.784091 |
70 | AMO | 0.53 | 0.8 |
71 | 50T | 0.526882 | 0.776471 |
72 | ACP | 0.526882 | 0.788235 |
73 | HEJ | 0.526882 | 0.807229 |
74 | ATP | 0.526882 | 0.807229 |
75 | ME8 | 0.524272 | 0.786517 |
76 | NB8 | 0.524272 | 0.793103 |
77 | 9K8 | 0.524272 | 0.804348 |
78 | M2T | 0.52381 | 0.709302 |
79 | DTA | 0.52381 | 0.73494 |
80 | 5FA | 0.521277 | 0.807229 |
81 | AQP | 0.521277 | 0.807229 |
82 | APC | 0.521277 | 0.77907 |
83 | APR | 0.521277 | 0.807229 |
84 | AR6 | 0.521277 | 0.807229 |
85 | ANP | 0.520833 | 0.809524 |
86 | 7MD | 0.518519 | 0.766667 |
87 | MTA | 0.517647 | 0.722892 |
88 | AD9 | 0.515789 | 0.788235 |
89 | AGS | 0.515789 | 0.833333 |
90 | ADV | 0.515789 | 0.77907 |
91 | RBY | 0.515789 | 0.77907 |
92 | SAP | 0.515789 | 0.833333 |
93 | 4AD | 0.514852 | 0.790698 |
94 | LAD | 0.514563 | 0.764045 |
95 | SFG | 0.510638 | 0.682353 |
96 | A3T | 0.510638 | 0.743902 |
97 | SAH | 0.510417 | 0.697674 |
98 | MAP | 0.51 | 0.790698 |
99 | DLL | 0.509804 | 0.819277 |
100 | PTJ | 0.509615 | 0.793103 |
101 | 6RE | 0.505618 | 0.655556 |
102 | T99 | 0.505155 | 0.821429 |
103 | TAT | 0.505155 | 0.821429 |
104 | SAM | 0.505155 | 0.688889 |
105 | ACQ | 0.505155 | 0.788235 |
106 | S7M | 0.50505 | 0.688889 |
107 | SMM | 0.50505 | 0.684783 |
108 | OOB | 0.504951 | 0.819277 |
109 | 3UK | 0.504854 | 0.809524 |
110 | OAD | 0.504854 | 0.831325 |
111 | 48N | 0.504505 | 0.793103 |
112 | EEM | 0.5 | 0.652174 |
113 | YAP | 0.495327 | 0.790698 |
114 | FA5 | 0.495327 | 0.8 |
115 | 1ZZ | 0.495238 | 0.766667 |
116 | 3OD | 0.495238 | 0.831325 |
117 | FYA | 0.495238 | 0.776471 |
118 | 00A | 0.495146 | 0.781609 |
119 | A22 | 0.49505 | 0.797619 |
120 | ADP ALF | 0.494949 | 0.75 |
121 | ALF ADP | 0.494949 | 0.75 |
122 | ATF | 0.494949 | 0.77907 |
123 | SAI | 0.494845 | 0.670455 |
124 | J7C | 0.494505 | 0.662921 |
125 | A3N | 0.494505 | 0.674419 |
126 | YLP | 0.491071 | 0.75 |
127 | MYR AMP | 0.490566 | 0.747253 |
128 | 9X8 | 0.490385 | 0.833333 |
129 | 5SV | 0.490196 | 0.752809 |
130 | 25A | 0.490196 | 0.807229 |
131 | ADP VO4 | 0.49 | 0.797619 |
132 | 6YZ | 0.49 | 0.788235 |
133 | VO4 ADP | 0.49 | 0.797619 |
134 | A3S | 0.489362 | 0.714286 |
135 | GJV | 0.48913 | 0.648352 |
136 | S4M | 0.48913 | 0.648936 |
137 | 9SN | 0.485981 | 0.772727 |
138 | PR8 | 0.485714 | 0.755556 |
139 | B5V | 0.485714 | 0.8 |
140 | WAQ | 0.485714 | 0.781609 |
141 | 0UM | 0.485437 | 0.659341 |
142 | ADQ | 0.485437 | 0.788235 |
143 | A1R | 0.485437 | 0.761364 |
144 | MAO | 0.483871 | 0.714286 |
145 | DSH | 0.483516 | 0.662921 |
146 | NEC | 0.483516 | 0.678571 |
147 | B5Y | 0.481481 | 0.811765 |
148 | B5M | 0.481481 | 0.811765 |
149 | SXZ | 0.481132 | 0.688889 |
150 | 2VA | 0.479167 | 0.72619 |
151 | YLB | 0.478261 | 0.75 |
152 | YLC | 0.478261 | 0.766667 |
153 | 7MC | 0.478261 | 0.769231 |
154 | ZAS | 0.477778 | 0.697674 |
155 | ARG AMP | 0.477477 | 0.72043 |
156 | 4UU | 0.477477 | 0.790698 |
157 | ADP BMA | 0.47619 | 0.767442 |
158 | K15 | 0.47619 | 0.645161 |
159 | A7D | 0.473684 | 0.705882 |
160 | TAD | 0.473214 | 0.784091 |
161 | AMP DBH | 0.472727 | 0.747126 |
162 | 4UV | 0.472727 | 0.790698 |
163 | TYR AMP | 0.472727 | 0.770115 |
164 | A3R | 0.471154 | 0.761364 |
165 | F2R | 0.470588 | 0.731183 |
166 | TXE | 0.469565 | 0.781609 |
167 | TYM | 0.469565 | 0.8 |
168 | 5AD | 0.469136 | 0.675 |
169 | MHZ | 0.46875 | 0.659574 |
170 | 7C5 | 0.468468 | 0.724138 |
171 | A3G | 0.467391 | 0.705882 |
172 | BIS | 0.46729 | 0.761364 |
173 | JB6 | 0.46729 | 0.802326 |
174 | 62X | 0.466667 | 0.631579 |
175 | SO8 | 0.464646 | 0.717647 |
176 | GA7 | 0.464286 | 0.77907 |
177 | 25L | 0.462963 | 0.797619 |
178 | AYB | 0.462185 | 0.741935 |
179 | TXD | 0.46087 | 0.781609 |
180 | 6V0 | 0.46087 | 0.772727 |
181 | 4UW | 0.46087 | 0.784091 |
182 | DQV | 0.460177 | 0.819277 |
183 | A A | 0.457944 | 0.785714 |
184 | EO7 | 0.457447 | 0.928571 |
185 | OMR | 0.456897 | 0.758242 |
186 | LAQ | 0.45614 | 0.786517 |
187 | AHZ | 0.45614 | 0.766667 |
188 | ATP A A A | 0.454545 | 0.795181 |
189 | COD | 0.454545 | 0.744681 |
190 | YLA | 0.453782 | 0.731183 |
191 | LPA AMP | 0.452174 | 0.766667 |
192 | 3AM | 0.450549 | 0.771084 |
193 | VRT | 0.45 | 0.701149 |
194 | NAX | 0.448276 | 0.755556 |
195 | NXX | 0.448276 | 0.8 |
196 | DND | 0.448276 | 0.8 |
197 | GEK | 0.447619 | 0.712644 |
198 | KH3 | 0.447368 | 0.638298 |
199 | GTA | 0.447368 | 0.766667 |
200 | Y3J | 0.447059 | 0.638554 |
201 | 7D7 | 0.445783 | 0.654762 |
202 | IOT | 0.445378 | 0.723404 |
203 | 7D5 | 0.444444 | 0.732558 |
204 | AF3 ADP 3PG | 0.444444 | 0.744444 |
205 | 3NZ | 0.444444 | 0.712644 |
206 | AP0 | 0.440678 | 0.772727 |
207 | NVA 2AD | 0.44 | 0.693182 |
208 | A5D | 0.44 | 0.73494 |
209 | AR6 AR6 | 0.438596 | 0.785714 |
210 | AFH | 0.438596 | 0.744444 |
211 | D3Y | 0.438095 | 0.697674 |
212 | CNA | 0.438017 | 0.8 |
213 | A3P | 0.4375 | 0.804878 |
214 | A2P | 0.4375 | 0.792683 |
215 | YLY | 0.436508 | 0.741935 |
216 | KB1 | 0.436364 | 0.641304 |
217 | NAI | 0.435897 | 0.781609 |
218 | S8M | 0.433962 | 0.712644 |
219 | 2A5 | 0.43 | 0.747126 |
220 | G3A | 0.429825 | 0.772727 |
221 | NAQ | 0.429688 | 0.793103 |
222 | AAT | 0.427184 | 0.648352 |
223 | G5P | 0.426087 | 0.772727 |
224 | A3D | 0.424 | 0.831325 |
225 | 80F | 0.424 | 0.75 |
226 | 2AM | 0.423913 | 0.761905 |
227 | UP5 | 0.423729 | 0.790698 |
228 | NAD | 0.419355 | 0.819277 |
229 | AMP NAD | 0.419355 | 0.797619 |
230 | T5A | 0.418033 | 0.75 |
231 | 6IA | 0.417476 | 0.725275 |
232 | V3L | 0.417476 | 0.807229 |
233 | 594 | 0.417323 | 0.821053 |
234 | 4TC | 0.416667 | 0.772727 |
235 | UPA | 0.416667 | 0.781609 |
236 | BT5 | 0.416 | 0.741935 |
237 | N0B | 0.415385 | 0.731183 |
238 | PPS | 0.413462 | 0.903614 |
239 | A4P | 0.413223 | 0.715789 |
240 | 7D3 | 0.412371 | 0.735632 |
241 | PAP | 0.411765 | 0.795181 |
242 | ATR | 0.411765 | 0.783133 |
243 | FB0 | 0.411765 | 0.704082 |
244 | NAE | 0.410853 | 0.811765 |
245 | OVE | 0.410526 | 0.776471 |
246 | 7D4 | 0.41 | 0.735632 |
247 | 2SA | 0.409524 | 0.77907 |
248 | NAJ PZO | 0.409449 | 0.772727 |
249 | A6D | 0.409091 | 0.7 |
250 | 3AD | 0.409091 | 0.707317 |
251 | 4TA | 0.408 | 0.73913 |
252 | 139 | 0.406504 | 0.755556 |
253 | ADJ | 0.406504 | 0.72043 |
254 | DZD | 0.404762 | 0.764045 |
255 | 67D | 0.403226 | 0.896552 |
256 | BS5 | 0.403226 | 0.787234 |
257 | IMO | 0.402062 | 0.771084 |
258 | A2R | 0.401869 | 0.797619 |
This union binding pocket(no: 1) in the query (biounit: 3hxu.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4RD0 | GDP | 1.20482 |
2 | 4YDQ | HFG | 1.36054 |
3 | 4YDQ | ANP | 1.36054 |
4 | 2E4G | TRP | 1.36054 |
5 | 5KJW | 53C | 1.40515 |
6 | 3E9I | XAH | 1.5873 |
7 | 1MJT | ITU | 1.72911 |
8 | 5VAD | 91Y | 1.81406 |
9 | 5VAD | PRO | 1.81406 |
10 | 6E1Q | CFA | 1.81406 |
11 | 5O9W | AKG | 1.90736 |
12 | 3MF2 | AMP | 2.02312 |
13 | 2H12 | OAA | 2.06422 |
14 | 1X54 | 4AD | 2.07373 |
15 | 3E7S | AT2 | 2.08817 |
16 | 2QPU | QPU | 2.22222 |
17 | 1QHO | MAL | 2.26757 |
18 | 3A5Y | KAA | 2.31884 |
19 | 12AS | AMP | 2.42424 |
20 | 4CM9 | YGL | 2.43056 |
21 | 6F1J | EDG | 2.46154 |
22 | 5VKM | GAL SIA | 2.46914 |
23 | 2J3M | PRI | 2.49433 |
24 | 2J3M | ATP | 2.49433 |
25 | 1WLE | SRP | 2.49433 |
26 | 1E1O | LYS | 2.49433 |
27 | 3SAO | DBH | 2.5 |
28 | 3A5Z | KAA | 2.6178 |
29 | 4HWT | 1B2 | 2.66344 |
30 | 4RF7 | ARG | 2.72109 |
31 | 1G51 | AMO | 2.75862 |
32 | 3G1Z | AMP | 2.76074 |
33 | 4ZTD | ALA GLY ALA GLY ALA | 2.7668 |
34 | 2JLD | AG1 | 2.85714 |
35 | 2JLD | ALA GLY GLY ALA ALA ALA ALA ALA | 2.85714 |
36 | 1GJW | GLC | 2.94785 |
37 | 3R6K | FUC GAL GLA | 2.95082 |
38 | 2FN1 | PYR | 2.97483 |
39 | 4IEN | GDP | 3.06748 |
40 | 4DFU | QUE | 3.10559 |
41 | 5LUN | OGA | 3.125 |
42 | 1B7Y | FYA | 3.1746 |
43 | 2I4O | ATP | 3.1746 |
44 | 5G48 | 1FL | 3.20856 |
45 | 2XGT | NSS | 3.21839 |
46 | 1SS4 | GSH | 3.26797 |
47 | 3QSB | 743 | 3.27869 |
48 | 4MOB | ADP | 3.31325 |
49 | 2BVE | PH5 | 3.36134 |
50 | 1I7E | IBS | 3.39623 |
51 | 3REU | ATP | 3.40136 |
52 | 5XIJ | ANP | 3.40136 |
53 | 5XIJ | 873 | 3.40136 |
54 | 4ZDM | GLY | 3.44828 |
55 | 3MEH | THP | 3.4965 |
56 | 3CBC | DBS | 3.53535 |
57 | 3QPB | URA | 3.5461 |
58 | 3TEG | DAH | 3.61446 |
59 | 5XIO | ANP | 3.62812 |
60 | 5XIO | HFG | 3.62812 |
61 | 4H2V | AMP | 3.63636 |
62 | 4CS4 | ANP | 3.64964 |
63 | 4CS4 | AXZ | 3.64964 |
64 | 5EOO | CIT | 3.77358 |
65 | 1GT4 | UNA | 3.77358 |
66 | 4BTV | RB3 | 3.77907 |
67 | 5F6U | 5VK | 3.82166 |
68 | 3KVY | URA | 3.8835 |
69 | 2WMC | MGP | 3.93258 |
70 | 4HNN | LYS | 4.04624 |
71 | 1LSH | PLD | 4.07523 |
72 | 3BJU | ATP | 4.08163 |
73 | 4YRI | 4JH | 4.08163 |
74 | 2VL1 | GLY GLY | 4.08163 |
75 | 2G36 | TRP | 4.11765 |
76 | 2QHS | OCA | 4.21941 |
77 | 3QO8 | SSA | 4.30839 |
78 | 2AGC | DAO | 4.32099 |
79 | 3QRC | SCR | 4.4586 |
80 | 3AKI | AH8 | 4.53515 |
81 | 2PNC | CLU | 4.53515 |
82 | 1F9V | ADP | 4.61095 |
83 | 4DZ1 | DAL | 4.6332 |
84 | 5DYO | FLU | 4.71698 |
85 | 2CJ9 | SSA | 4.7619 |
86 | 2CJA | ATP | 4.7619 |
87 | 2QHV | OC9 | 4.7619 |
88 | 3UEC | ALA ARG TPO LYS | 4.79452 |
89 | 3LL5 | IPE | 4.81928 |
90 | 3LL5 | ADP | 4.81928 |
91 | 3GD8 | GOL | 4.93274 |
92 | 1VRP | ADP | 4.98688 |
93 | 3IAL | PR8 | 5.21542 |
94 | 3UH0 | TSB | 5.21542 |
95 | 5FPE | 3TR | 5.42636 |
96 | 4C2C | ALA ALA ALA | 5.44218 |
97 | 1SES | AHX | 5.46318 |
98 | 1SES | AMP | 5.46318 |
99 | 1L7P | SEP | 5.6872 |
100 | 1UPR | 4IP | 5.69106 |
101 | 4H2X | G5A | 5.82524 |
102 | 4H2W | AMP | 5.82524 |
103 | 4H2W | 5GP | 5.82524 |
104 | 3ERR | AMP | 6.12245 |
105 | 3NEM | AMO | 6.16438 |
106 | 3NEM | ATP | 6.16438 |
107 | 3QXV | MTX | 6.34921 |
108 | 3H0L | ADP | 6.38298 |
109 | 6GNO | XDI | 6.66667 |
110 | 5H4S | RAM | 6.69014 |
111 | 3G2Y | GF4 | 6.84411 |
112 | 2YKL | NLD | 7.07547 |
113 | 5YJS | SAL | 7.17949 |
114 | 3T4L | ZEA | 7.40741 |
115 | 6DW2 | HD4 | 7.45098 |
116 | 1DCP | HBI | 7.69231 |
117 | 4K55 | H6P | 8.06452 |
118 | 5CIC | 51R | 8.33333 |
119 | 4WOE | ADP | 8.39002 |
120 | 3BIB | PSF | 8.62069 |
121 | 1M5W | DXP | 8.64198 |
122 | 2ART | LPA AMP | 8.77863 |
123 | 1UNQ | 4IP | 8.8 |
124 | 2Z3U | CRR | 8.94118 |
125 | 5D9G | GLU ASN LEU TYR PHE GLN | 8.94309 |
126 | 3PNA | CMP | 9.09091 |
127 | 2AG4 | OLA | 9.14634 |
128 | 5HWV | MBN | 9.23077 |
129 | 3TW1 | AHN | 9.2827 |
130 | 5VM6 | 9EG | 9.48905 |
131 | 1PVS | 7HP | 9.57447 |
132 | 4HWS | 1B3 | 9.73236 |
133 | 5WL1 | CUY | 10.101 |
134 | 5WL1 | D3D | 10.101 |
135 | 2HJ4 | PNZ | 10.3704 |
136 | 2RBK | VN4 | 11.1111 |
137 | 1I7Q | PYR | 11.1111 |
138 | 4NPL | AKG | 11.2 |
139 | 3VMG | 9CA | 11.3043 |
140 | 4IAW | LIZ | 11.7021 |
141 | 1ECM | TSA | 11.9266 |
142 | 5F7U | GLC GLC | 12.2449 |
143 | 4V1F | BQ1 | 12.7907 |
144 | 3ZXE | PGZ | 14.2857 |
145 | 3HCH | RSM | 14.3836 |
146 | 6FA4 | D1W | 14.4509 |
147 | 1UY4 | XYP XYP XYP XYP | 14.4828 |
148 | 4OGQ | 7PH | 14.7059 |
149 | 4OCT | AKG | 16.6667 |