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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 2 families. | |||||
1 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
4 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
5 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
6 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
7 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
8 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
9 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
10 | 5J6A | ic50 = 58 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
11 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
12 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
14 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
16 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
17 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
18 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
19 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
20 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | 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 | 2BU8 | - | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
2 | 1JM6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 2BU6 | - | TF2 | C19 H21 F3 N2 O4 S | CC[N@@](c1.... |
4 | 4MPN | Kd = 239 nM | PV0 | C14 H13 N O6 S | c1cc(c(cc1.... |
5 | 5M4M | Ki = 1.02 uM | 7FW | C31 H26 N4 O4 | CN(Cc1ccc2.... |
6 | 2BU7 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
7 | 5J71 | - | P35 | C19 H23 N3 O4 S | c1cc2c(cc1.... |
8 | 4MP2 | Kd = 3570 nM | PV1 | C15 H12 Br N O3 | c1ccc2c(c1.... |
9 | 4MPE | Kd = 426 nM | PV8 | C14 H13 N O5 S | c1cc2c(cc1.... |
10 | 5J6A | ic50 = 58 nM | P46 | C23 H27 N5 O6 S | c1cc2cn(cc.... |
11 | 4V26 | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
12 | 5M4P | - | TF3 | C20 H25 Cl N2 O2 | CC(C)c1ccc.... |
13 | 2BU5 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
14 | 2BU2 | - | TF1 | C18 H20 F3 N3 O3 | C[C@H]1CN(.... |
15 | 4MP7 | Kd = 1827 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
16 | 4MPC | Kd = 711 nM | PV2 | C14 H13 N O4 S | c1ccc2c(c1.... |
17 | 2Q8H | Ki = 1 mM | TF4 | C2 H2 Cl2 O2 | C(C(=O)O)(.... |
18 | 2Q8G | ic50 = 0.087 uM | AZX | C19 H18 Cl F3 N2 O5 S | C[C@@](C(=.... |
19 | 3D2R | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
20 | 2ZKJ | Kd = 3.3 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 2ZDY | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
22 | 2E0A | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
This union binding pocket(no: 1) in the query (biounit: 2q8g.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3RET | PYR | None |
2 | 3RET | SAL | None |
3 | 4F4S | EFO | None |
4 | 6AYH | C3G | None |
5 | 4OOE | FOM | 1.23762 |
6 | 1NF8 | BOG | 1.44928 |
7 | 3F3E | LEU | 1.4742 |
8 | 6FX0 | E9T | 1.4742 |
9 | 1IID | NHM | 1.4742 |
10 | 1T27 | PCW | 1.47601 |
11 | 6BA2 | 7KM | 1.69492 |
12 | 1LLF | F23 | 1.7199 |
13 | 6FQZ | 6PG | 1.7199 |
14 | 4TMK | T5A | 1.87793 |
15 | 5A8E | XTK | 1.90476 |
16 | 4ZBR | DIF | 1.9656 |
17 | 4ZBR | NPS | 1.9656 |
18 | 2HI4 | BHF | 1.9656 |
19 | 2NP9 | YE1 | 1.9656 |
20 | 1XSE | NDP | 2.0339 |
21 | 1MDZ | DCS | 2.03562 |
22 | 1IYK | MYA | 2.04082 |
23 | 4HY1 | 19X | 2.05128 |
24 | 3ET1 | ET1 | 2.06186 |
25 | 1UHK | CZN | 2.09424 |
26 | 5NTP | 98E | 2.10084 |
27 | 3BEJ | MUF | 2.10084 |
28 | 3W54 | RNB | 2.12766 |
29 | 4V24 | GYR | 2.15633 |
30 | 3RUU | 37G | 2.18341 |
31 | 4BNU | 9KQ | 2.23048 |
32 | 5W8Q | BU4 | 2.30769 |
33 | 6EL3 | NAP | 2.3622 |
34 | 3E70 | GDP | 2.43902 |
35 | 3HB5 | E2B | 2.44648 |
36 | 4O1Z | MXM | 2.457 |
37 | 5OSW | DIU | 2.457 |
38 | 2X5W | K2B | 2.457 |
39 | 1RDT | 570 | 2.46479 |
40 | 5TUX | ECH | 2.47678 |
41 | 4HEE | 14R | 2.48227 |
42 | 1FM9 | 570 | 2.57353 |
43 | 3FUR | Z12 | 2.57353 |
44 | 1YYE | 196 | 2.61194 |
45 | 4OB6 | S2T | 2.6393 |
46 | 5DUF | G7A | 2.6616 |
47 | 1U25 | IHS | 2.67062 |
48 | 5K53 | STE | 2.67176 |
49 | 4COL | DTP | 2.7027 |
50 | 3LN0 | 52B | 2.7027 |
51 | 1J78 | VDY | 2.7027 |
52 | 4V3I | ASP LEU THR ARG PRO | 2.72374 |
53 | 2I0G | I0G | 2.72374 |
54 | 3E8T | UQ8 | 2.72727 |
55 | 1TMX | HGX | 2.73038 |
56 | 4E2J | MOF | 2.8 |
57 | 3GN8 | DEX | 2.81124 |
58 | 5UFS | 1TA | 2.82258 |
59 | 4TMN | 0PK | 2.8481 |
60 | 4OMJ | 2TX | 2.8777 |
61 | 1U3R | 338 | 2.90456 |
62 | 3OLL | EST | 2.91667 |
63 | 4X8D | AVI | 2.9484 |
64 | 1FP1 | HCC | 2.95699 |
65 | 5HZ9 | 5M8 | 2.96296 |
66 | 5Z1N | PEF | 2.97619 |
67 | 6F8B | CXH | 2.99003 |
68 | 3P3G | 3P3 | 3 |
69 | 3P3G | UKW | 3 |
70 | 3V49 | PK0 | 3.00752 |
71 | 5DK4 | 5BX | 3.03951 |
72 | 2ZCQ | B65 | 3.07167 |
73 | 5V13 | JH3 | 3.125 |
74 | 2RH1 | CAU | 3.1941 |
75 | 3UR0 | SVR | 3.1941 |
76 | 5C1M | OLC | 3.2 |
77 | 4RI1 | ACO | 3.22581 |
78 | 2Z7I | 742 | 3.23529 |
79 | 2E2R | 2OH | 3.27869 |
80 | 1UVC | STE | 3.2967 |
81 | 6BQ6 | TER | 3.32326 |
82 | 4DE3 | DN8 | 3.42205 |
83 | 3U3U | EAH | 3.43348 |
84 | 5LOF | 70R | 3.4398 |
85 | 4BR5 | ANP | 3.4398 |
86 | 4MRP | GSH | 3.4398 |
87 | 5UWA | 8ND | 3.44828 |
88 | 2QZO | KN1 | 3.48837 |
89 | 4MGA | 27L | 3.52941 |
90 | 4MGB | XDH | 3.52941 |
91 | 2R42 | FPS | 3.5443 |
92 | 3WCA | FPS | 3.56164 |
93 | 4OKZ | 3E9 | 3.56164 |
94 | 4UBS | DIF | 3.56234 |
95 | 5AAV | GW5 | 3.57143 |
96 | 2Q1H | AS4 | 3.6 |
97 | 1VR0 | 3SL | 3.64372 |
98 | 2ABS | ACP | 3.65535 |
99 | 4CLI | 5P8 | 3.66972 |
100 | 2XCG | XCG | 3.6855 |
101 | 4NU0 | AP5 | 3.68664 |
102 | 2A1L | PCW | 3.7037 |
103 | 3G5K | BB2 | 3.82514 |
104 | 5FM0 | WAQ | 3.84615 |
105 | 3FS1 | ALA ALA LEU ALA ALA LEU LEU ALA ALA | 3.91304 |
106 | 1ZGA | HMK | 3.92157 |
107 | 5IKR | ID8 | 3.9312 |
108 | 3T6E | UQ9 | 3.93258 |
109 | 3T6E | MQ9 | 3.93258 |
110 | 1USF | NAP | 3.93258 |
111 | 2C9E | PID | 3.97554 |
112 | 3GZ9 | D32 | 4.08922 |
113 | 3FRQ | ERY | 4.10256 |
114 | 3T31 | DCQ | 4.11899 |
115 | 4D7M | TDC | 4.14747 |
116 | 5WIU | AQD | 4.1769 |
117 | 3QCJ | NX4 | 4.19355 |
118 | 5EEH | SAH | 4.25532 |
119 | 1NHZ | 486 | 4.28571 |
120 | 1GEG | GLC | 4.29688 |
121 | 3GKJ | HC3 | 4.31034 |
122 | 5YX4 | HCC | 4.31034 |
123 | 1OYJ | GSH | 4.329 |
124 | 4YC9 | 4C1 | 4.34783 |
125 | 1WMA | AB3 | 4.34783 |
126 | 3ZJ0 | ACO | 4.36893 |
127 | 5SVV | FMN | 4.37956 |
128 | 4WGF | HX2 | 4.39024 |
129 | 2IMP | LAC | 4.4226 |
130 | 4NKW | PLO | 4.4226 |
131 | 1F5N | GNP | 4.4226 |
132 | 1NP7 | FAD | 4.4226 |
133 | 4OIV | XX9 | 4.42478 |
134 | 3VRV | YSD | 4.42804 |
135 | 5XPL | 8C9 | 4.42804 |
136 | 3HCN | CHD | 4.45682 |
137 | 6ARJ | BW4 | 4.58453 |
138 | 6ARJ | SAH | 4.58453 |
139 | 2VZZ | SCA | 4.58716 |
140 | 3GXO | MQA | 4.60705 |
141 | 2BTO | GTP | 4.62963 |
142 | 4Q0A | 4OA | 4.63576 |
143 | 4V1F | BQ1 | 4.65116 |
144 | 5LGA | 6VH | 4.66667 |
145 | 5E7V | M7E | 4.66667 |
146 | 2OBD | PCW | 4.6683 |
147 | 5M67 | ADE | 4.6683 |
148 | 5M67 | NAD | 4.6683 |
149 | 1M2Z | DEX | 4.66926 |
150 | 1M2Z | BOG | 4.66926 |
151 | 3BQD | DAY | 4.70588 |
152 | 4P6X | HCY | 4.70588 |
153 | 5G3N | X28 | 4.72441 |
154 | 6CAY | ERG | 4.73373 |
155 | 1R6N | 434 | 4.73934 |
156 | 1M13 | HYF | 4.74684 |
157 | 1G27 | BB1 | 4.7619 |
158 | 4P6W | MOF | 4.7619 |
159 | 4EKQ | NPO | 4.81283 |
160 | 2FP2 | TSA | 4.81928 |
161 | 2OKL | BB2 | 4.86486 |
162 | 5ESO | TDP | 4.914 |
163 | 5ESO | ISC | 4.914 |
164 | 3NJ4 | NAD | 4.914 |
165 | 3ICS | COA | 4.914 |
166 | 4EOX | 0S5 | 4.92611 |
167 | 3QKD | HI0 | 4.97238 |
168 | 1SR7 | MOF | 5.01931 |
169 | 5BYK | A3P | 5.01931 |
170 | 5BYK | OAQ | 5.01931 |
171 | 4QC6 | 30N | 5.02793 |
172 | 6FS0 | E4W | 5.03145 |
173 | 4OAR | 2S0 | 5.03876 |
174 | 3SFI | 3SF | 5.08475 |
175 | 5MTE | BB2 | 5.10949 |
176 | 4C2X | NHW | 5.15971 |
177 | 3I51 | 6PL | 5.18518 |
178 | 3V66 | D3A | 5.29412 |
179 | 5G3Y | ADP | 5.30973 |
180 | 1UUY | PPI | 5.38922 |
181 | 3JUQ | AJD | 5.40541 |
182 | 3JUQ | AKD | 5.40541 |
183 | 2H7C | COA | 5.40541 |
184 | 3FWN | 6PG | 5.40541 |
185 | 1D6H | COA | 5.42636 |
186 | 1LQY | BB2 | 5.43478 |
187 | 4B5P | ACO | 5.5 |
188 | 5C1P | ADP | 5.55556 |
189 | 2LBD | REA | 5.61798 |
190 | 2ZJ1 | ARJ | 5.65111 |
191 | 2ZJ1 | NAD | 5.65111 |
192 | 4X60 | 3XV | 5.65111 |
193 | 4X60 | SFG | 5.65111 |
194 | 3G4G | D71 | 5.65111 |
195 | 2QQC | AG2 | 5.66038 |
196 | 2PRG | BRL | 5.68182 |
197 | 5DEY | 59T | 5.72391 |
198 | 3LOO | B4P | 5.75342 |
199 | 4ER2 | IVA VAL VAL STA ALA STA | 5.75758 |
200 | 1MT1 | AG2 | 5.76923 |
201 | 1WS1 | BB2 | 5.76923 |
202 | 1N13 | AG2 | 5.76923 |
203 | 1DB1 | VDX | 5.79151 |
204 | 4RC8 | STE | 5.85586 |
205 | 1YP0 | PEF | 5.85774 |
206 | 5D9J | 0N8 | 5.88235 |
207 | 2BOY | BHO | 5.90551 |
208 | 5TIV | A3P | 5.92885 |
209 | 2CDN | ADP | 5.97015 |
210 | 3KMZ | EQO | 6.01504 |
211 | 5GUE | GGS | 6.0423 |
212 | 5I8F | ML1 | 6.06061 |
213 | 3KPX | CZH | 6.06061 |
214 | 4WN5 | MVC | 6.08696 |
215 | 6F68 | GSH | 6.09756 |
216 | 6F68 | 4EU | 6.09756 |
217 | 3WFD | AXO | 6.10329 |
218 | 5LGD | PLM | 6.14525 |
219 | 4R57 | ACO | 6.25 |
220 | 4DM8 | REA | 6.36704 |
221 | 1XAP | TTB | 6.36704 |
222 | 5JF2 | SF7 | 6.37255 |
223 | 1JQ3 | AAT | 6.41892 |
224 | 3M31 | FAD | 6.4433 |
225 | 1FK5 | OLA | 6.45161 |
226 | 3OGN | 3OG | 6.45161 |
227 | 3AWJ | COA | 6.46766 |
228 | 4B52 | RDF | 6.57895 |
229 | 4LSJ | LSJ | 6.58915 |
230 | 3GWL | FAD | 6.60377 |
231 | 5FVJ | ACO | 6.62651 |
232 | 5MBC | FMN | 6.79887 |
233 | 3PE2 | E1B | 6.82493 |
234 | 5W7B | MYR | 6.87961 |
235 | 6AM8 | PLT | 6.87961 |
236 | 5CSD | ACD | 6.91824 |
237 | 3FZG | SAM | 7 |
238 | 3HDY | GDU | 7.0529 |
239 | 3HDY | FDA | 7.0529 |
240 | 3HDY | FAD | 7.0529 |
241 | 3R1V | AZB | 7.08661 |
242 | 6C7R | EO4 | 7.2 |
243 | 4UA3 | COA | 7.2165 |
244 | 4K26 | SFF | 7.24638 |
245 | 3KP6 | SAL | 7.28477 |
246 | 5DCH | 1YO | 7.29167 |
247 | 2CFA | FAD | 7.37327 |
248 | 3KC1 | 2T6 | 7.4184 |
249 | 2OZ5 | 7XY | 7.43243 |
250 | 2PT9 | 2MH | 7.47664 |
251 | 5Y02 | HBX | 7.47664 |
252 | 5Y02 | MXN | 7.47664 |
253 | 2PT9 | S4M | 7.47664 |
254 | 6MDE | MEV | 7.59076 |
255 | 3VM7 | GLC | 7.61671 |
256 | 4H07 | IPH | 7.79221 |
257 | 5ECP | ATP | 7.86241 |
258 | 5N69 | 2OW | 7.86241 |
259 | 5ECP | MET | 7.86241 |
260 | 5ECP | JAA | 7.86241 |
261 | 4HIA | FMN | 7.95455 |
262 | 2O4J | VD4 | 8.21918 |
263 | 4XVX | P33 FDA | 8.22622 |
264 | 5OYH | T99 | 8.29016 |
265 | 1S17 | GNR | 8.33333 |
266 | 5EFW | FMN | 8.33333 |
267 | 3RMK | BML | 8.43373 |
268 | 2RHW | C0E | 8.48057 |
269 | 4W97 | UCA | 8.5 |
270 | 4Y30 | 49L | 8.54701 |
271 | 4Y30 | SAH | 8.54701 |
272 | 1YUC | EPH | 8.62745 |
273 | 4B7P | 9UN | 8.69565 |
274 | 5N8V | KZZ | 8.69565 |
275 | 6BR8 | 6OU | 8.73016 |
276 | 4ZVI | 4S4 | 8.75332 |
277 | 2BIF | BOG | 8.84521 |
278 | 4EI7 | GDP | 8.99743 |
279 | 2UXI | G50 | 9.04762 |
280 | 5UC4 | 83S | 9.09091 |
281 | 3CR3 | ADP | 9.375 |
282 | 5IF4 | 6AK | 9.43396 |
283 | 5FH7 | 5XL | 9.67742 |
284 | 4GFD | 0YB | 9.7561 |
285 | 5LX9 | OLB | 9.85915 |
286 | 4URL | XAM | 10.0985 |
287 | 3HUJ | AGH | 10.101 |
288 | 5C9J | DAO | 10.101 |
289 | 5C9J | STE | 10.101 |
290 | 5F1R | 42O | 10.1266 |
291 | 2R40 | EPH | 10.1504 |
292 | 6GMN | F4E | 10.3093 |
293 | 2J8C | U10 | 10.3846 |
294 | 2J8C | SPO | 10.3846 |
295 | 2EW5 | Y12 | 10.4972 |
296 | 1CMC | SAM | 10.5769 |
297 | 4XCP | PLM | 10.5882 |
298 | 5LXT | 7AK | 11.1888 |
299 | 2QQD | AG2 | 11.4458 |
300 | 5TBM | 79A | 11.9658 |
301 | 4JE7 | BB2 | 12.1827 |
302 | 3CH6 | 311 | 12.2378 |
303 | 3CH6 | NAP | 12.2378 |
304 | 6BYM | HC3 | 12.3153 |
305 | 1JQ9 | PHE LEU SER TYR LYS | 12.3967 |
306 | 6AYI | C3G | 12.5628 |
307 | 5H62 | UDP | 12.6437 |
308 | 3ZCB | ATP | 12.9032 |
309 | 1QSM | ACO | 13.1579 |
310 | 3O55 | FAD | 13.6 |
311 | 1HG4 | LPP | 13.6201 |
312 | 4MNS | 2AX | 13.8365 |
313 | 4JGX | PLM | 13.9535 |
314 | 5K0S | 0OU | 14.0049 |
315 | 5L7G | 6QE | 14.4262 |
316 | 5MWY | YNU | 14.4262 |
317 | 5L7G | LYS SER LEU LEU GLN GLN LEU LEU THR GLU | 14.4262 |
318 | 5WRE | 7TL | 14.8387 |
319 | 3WR7 | COA | 15.2941 |
320 | 5HCV | 60R | 15.9533 |
321 | 1KZN | CBN | 16.0976 |
322 | 4DR9 | BB2 | 16.1458 |
323 | 4UDB | CV7 | 16.1765 |
324 | 2A3I | C0R | 16.2055 |
325 | 2Y69 | CHD | 16.25 |
326 | 3IIS | PID | 16.5563 |
327 | 4P8O | 883 | 16.5775 |
328 | 3RY9 | 1CA | 18 |
329 | 4BAE | RWX | 19.5122 |
330 | 6CGN | DA | 19.656 |
331 | 4B6C | B5U | 20.4082 |
332 | 1XVB | BHL | 21.1765 |
333 | 3TTZ | 07N | 21.2121 |
334 | 5Z84 | CHD | 22.0339 |
335 | 5ZCO | CHD | 22.0339 |
336 | 5Z84 | TGL | 22.0339 |
337 | 5ZCO | TGL | 22.0339 |
338 | 2DYR | TGL | 22.0339 |
339 | 5W97 | CHD | 22.0339 |
340 | 2DYS | TGL | 22.0339 |
341 | 1OW4 | 2AN | 23.2558 |
342 | 4XIZ | LPP | 24.2857 |
343 | 5CHR | 4NC | 28.4672 |
344 | 4GGL | CJC | 28.8372 |
345 | 5NNT | DPV | 48.6486 |
This union binding pocket(no: 2) in the query (biounit: 2q8g.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |