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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 3 families. | |||||
1 | 2PNC | Ki = 466 uM | CLU | C9 H9 Cl2 N3 | c1cc(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2PNC | Ki = 466 uM | CLU | C9 H9 Cl2 N3 | c1cc(c(c(c.... |
2 | 3HIG | Ki = 13 nM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
3 | 3HII | Ki = 290 nM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CLU | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 2pnc.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3HMO | STU | 1.46199 |
2 | 5GWT | SIN | 1.79856 |
3 | 5GWT | NAD | 1.79856 |
4 | 5LUN | ARG | 1.98864 |
5 | 5LUN | OGA | 1.98864 |
6 | 1DUB | CAA | 2.29885 |
7 | 1G9J | BGC SGC BGC SGC BGC SGC BGC SGC | 2.38474 |
8 | 3T7V | SAM | 2.57143 |
9 | 5EH0 | 5NW | 2.71318 |
10 | 6GW1 | CHO | 2.86624 |
11 | 6GW4 | CHO | 2.9316 |
12 | 5O9W | AKG | 2.99728 |
13 | 1YUC | EPH | 3.13725 |
14 | 5TO8 | 7FM | 3.19149 |
15 | 2IO8 | ADP | 3.23102 |
16 | 3FEI | CTM | 3.37079 |
17 | 3W68 | VIV | 3.38346 |
18 | 1QFT | HSM | 3.42857 |
19 | 5V13 | JH3 | 3.47222 |
20 | 4IZY | 1J2 | 3.52304 |
21 | 2BJF | DXC | 3.64742 |
22 | 1GP6 | SIN | 3.65169 |
23 | 1GP6 | DH2 | 3.65169 |
24 | 1GP6 | QUE | 3.65169 |
25 | 5Y9D | FAD | 3.80818 |
26 | 4RYV | ZEA | 3.87097 |
27 | 2AG5 | NAD | 4.06504 |
28 | 3PFG | TLO | 4.18251 |
29 | 3PFG | SAM | 4.18251 |
30 | 2IUW | AKG | 4.20168 |
31 | 1J3R | 6PG | 4.21053 |
32 | 1DZK | PRZ | 4.4586 |
33 | 2BPM | 529 | 4.53074 |
34 | 4MKF | AP5 | 4.60829 |
35 | 4JN6 | OXL | 4.62428 |
36 | 2XMY | CDK | 4.69799 |
37 | 1F5F | DHT | 4.87805 |
38 | 3VKC | FPQ | 4.8951 |
39 | 1XV5 | UDP | 5.23691 |
40 | 3KFF | XBT | 5.55556 |
41 | 3KFF | ZBT | 5.55556 |
42 | 5UFC | DR2 | 5.64516 |
43 | 5ZAI | COA | 5.79151 |
44 | 2R5V | HHH | 5.88235 |
45 | 5WA9 | 9ZD | 6.20155 |
46 | 5ZTN | CUR | 6.29371 |
47 | 4AUA | 4AU | 6.51466 |
48 | 5RHN | 8BR | 6.95652 |
49 | 5IQT | AKG | 6.98413 |
50 | 6ASZ | GLN THR ALA ARG M3L SER | 7.24638 |
51 | 4K55 | H6P | 7.25806 |
52 | 5KWY | C3S | 8.27068 |
53 | 3N1S | 5GP | 8.40336 |
54 | 2QUN | FUD | 8.62069 |
55 | 5NBW | 8SK | 8.8785 |
56 | 1N5S | ADL | 8.92857 |
57 | 4Q5H | ANP | 9.21053 |
58 | 5XEG | AKG | 10.8225 |
59 | 3R5T | VBN | 11.8033 |
60 | 1TT8 | PHB | 12.1951 |
61 | 4BCS | BTN | 16.8 |
This union binding pocket(no: 2) in the query (biounit: 2pnc.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WOE | ADP | 1.39665 |
2 | 2E5A | LAQ | 1.44092 |
3 | 5N87 | N66 | 1.59744 |
4 | 1K97 | CIR | 1.60858 |
5 | 1K97 | ASP | 1.60858 |
6 | 4R5Z | SIN | 1.63488 |
7 | 2XVD | AS6 | 1.65563 |
8 | 1M15 | ARG | 1.68067 |
9 | 1M15 | ADP | 1.68067 |
10 | 5KJW | 53C | 1.87354 |
11 | 1V59 | NAD | 1.88285 |
12 | 4FG8 | ATP | 1.90476 |
13 | 5UR1 | YY9 | 1.92926 |
14 | 4I53 | 1C1 | 1.95531 |
15 | 1VJY | 460 | 1.9802 |
16 | 4I54 | 1C1 | 1.983 |
17 | 4POO | SAM | 2 |
18 | 3A5Y | KAA | 2.02899 |
19 | 1ELU | CSS | 2.05128 |
20 | 5G48 | 1FL | 2.13904 |
21 | 1EM6 | CP4 | 2.14477 |
22 | 2AMV | BIN | 2.14477 |
23 | 5KVA | SAM | 2.15827 |
24 | 2OO8 | RAJ | 2.2082 |
25 | 6MJF | SAH | 2.33161 |
26 | 3MVH | WFE | 2.33918 |
27 | 3B6R | ADP | 2.3622 |
28 | 1JQ3 | AAT | 2.36486 |
29 | 1NHX | FTB | 2.4 |
30 | 4OHU | NAD | 2.42215 |
31 | 4OHU | 2TK | 2.42215 |
32 | 3VRY | B43 | 2.42291 |
33 | 3JU6 | ANP | 2.43243 |
34 | 2Y5D | NAP | 2.43446 |
35 | 1TQP | ATP | 2.48227 |
36 | 1SBR | VIB | 2.5 |
37 | 1V9A | SAH | 2.51046 |
38 | 3TTZ | 07N | 2.52525 |
39 | 1WPY | BTN | 2.55319 |
40 | 3RWP | ABQ | 2.57235 |
41 | 3EFS | BTN | 2.57511 |
42 | 1OPK | P16 | 2.62626 |
43 | 5WO4 | B7V | 2.64901 |
44 | 4YBN | FAD | 2.67857 |
45 | 5DEY | 59T | 2.6936 |
46 | 4MOB | ADP | 2.71084 |
47 | 2GKS | ADP | 2.74725 |
48 | 3GBR | PRP | 2.89855 |
49 | 4NFN | 2KC | 2.91262 |
50 | 5DHU | 5A8 | 2.94118 |
51 | 5MJA | 7O3 | 2.95082 |
52 | 2DXU | BT5 | 2.97872 |
53 | 6FP4 | E1T | 3.01003 |
54 | 4U03 | TLL | 3.0445 |
55 | 3GRU | AMP | 3.05085 |
56 | 4RF7 | ARG | 3.06407 |
57 | 5YJS | SAL | 3.07692 |
58 | 1QD1 | FON | 3.07692 |
59 | 4GID | 0GH | 3.09278 |
60 | 1GS5 | ANP | 3.10078 |
61 | 1GS5 | NLG | 3.10078 |
62 | 5FA8 | SAM | 3.10559 |
63 | 2YNE | YNE | 3.125 |
64 | 2YNE | NHW | 3.125 |
65 | 1GT4 | UNA | 3.14465 |
66 | 3G5D | 1N1 | 3.14685 |
67 | 1VRP | ADP | 3.14961 |
68 | 2VDF | OCT | 3.16206 |
69 | 3E2M | E2M | 3.24324 |
70 | 1KOR | ARG | 3.25 |
71 | 1KOR | ANP | 3.25 |
72 | 1KOR | SIN | 3.25 |
73 | 2WLG | SOP | 3.25581 |
74 | 1LNM | DTX | 3.26087 |
75 | 4CSV | STI | 3.27273 |
76 | 3JQ3 | ADP | 3.27869 |
77 | 4CS4 | AXZ | 3.28467 |
78 | 4CS4 | ANP | 3.28467 |
79 | 5D48 | L96 | 3.28947 |
80 | 5V2L | ATP | 3.29341 |
81 | 3MTX | PGT | 3.31126 |
82 | 2GTF | P1R | 3.33333 |
83 | 5O3Q | CMP | 3.33333 |
84 | 1USF | NAP | 3.37079 |
85 | 4ITH | RCM | 3.40136 |
86 | 1KZN | CBN | 3.41463 |
87 | 1U6R | ADP | 3.42105 |
88 | 5TUF | FAD | 3.42298 |
89 | 5TUF | TDC | 3.42298 |
90 | 2RCU | BUJ | 3.52221 |
91 | 4EMV | 0R9 | 3.53982 |
92 | 2CDU | FAD | 3.53982 |
93 | 5IXG | OTP | 3.5503 |
94 | 2WSI | FAD | 3.59477 |
95 | 3EXS | 5RP | 3.61991 |
96 | 4WNK | 453 | 3.67893 |
97 | 4IEN | GDP | 3.68098 |
98 | 5N0O | SAM | 3.76884 |
99 | 4R3U | 3KK | 3.79747 |
100 | 1W8S | FBP | 3.80228 |
101 | 5A89 | FMN | 3.84615 |
102 | 5A89 | ADP | 3.84615 |
103 | 2XTN | GTP | 3.84615 |
104 | 3TCT | 3MI | 3.93701 |
105 | 5UIU | 8CG | 4.02477 |
106 | 3GC8 | B45 | 4.05405 |
107 | 3T4L | ZEA | 4.07407 |
108 | 4E1Z | 0MX | 4.12371 |
109 | 5DQ8 | FLF | 4.16667 |
110 | 4YRI | 4JH | 4.16667 |
111 | 5N2D | 8J8 | 4.16667 |
112 | 1UNB | PN1 | 4.18006 |
113 | 1UNB | AKG | 4.18006 |
114 | 3D78 | NBB | 4.20168 |
115 | 4BG4 | ADP | 4.21348 |
116 | 6CC0 | EWM | 4.21941 |
117 | 5OCG | 9R5 | 4.2328 |
118 | 4E5N | NAD | 4.24242 |
119 | 5H5F | SAM | 4.2735 |
120 | 2JLD | AG1 | 4.28571 |
121 | 5DX0 | SFG | 4.29799 |
122 | 5DWQ | SFG | 4.29799 |
123 | 5DX8 | SFG | 4.29799 |
124 | 3QSB | 743 | 4.37158 |
125 | 3N39 | FMN | 4.38871 |
126 | 5EW9 | 5VC | 4.42804 |
127 | 4O1M | NAD | 4.44444 |
128 | 1SDW | IYT | 4.4586 |
129 | 3GYT | DL4 | 4.5082 |
130 | 3HXU | A5A | 4.53515 |
131 | 5X8G | S0N | 4.53608 |
132 | 2FLI | DX5 | 4.54545 |
133 | 5DYO | FLU | 4.58716 |
134 | 4KXL | 6C6 | 4.60526 |
135 | 4P5E | N6P | 4.60526 |
136 | 1F9V | ADP | 4.61095 |
137 | 2J7T | 274 | 4.63576 |
138 | 5NIU | 8YZ | 4.6875 |
139 | 3SWG | EPZ | 4.70588 |
140 | 1KGI | T4A | 4.72441 |
141 | 4TWP | AXI | 4.79705 |
142 | 1PJS | SAH | 4.814 |
143 | 5N2F | 8HW | 4.83871 |
144 | 4B0T | ADP | 4.86815 |
145 | 5H2U | 1N1 | 4.86891 |
146 | 6GEW | SFG | 4.87805 |
147 | 6GEW | SAH | 4.87805 |
148 | 3MF2 | AMP | 4.91329 |
149 | 2GJ5 | VD3 | 4.93827 |
150 | 1JJE | BYS | 4.95496 |
151 | 1HXD | BTN | 4.98442 |
152 | 3SAO | DBH | 5 |
153 | 5T8U | LPA | 5 |
154 | 3SAO | NKN | 5 |
155 | 3NEM | AMO | 5.02283 |
156 | 2G30 | ALA ALA PHE | 5.03876 |
157 | 4IE6 | UN9 | 5.05051 |
158 | 3OJF | NDP | 5.05837 |
159 | 4QAC | KK3 | 5.06912 |
160 | 2YKL | NLD | 5.09259 |
161 | 6C5F | 7L9 | 5.12821 |
162 | 2Z1U | ATP | 5.24781 |
163 | 5TVF | CGQ | 5.26316 |
164 | 2Y6Q | I7T | 5.27638 |
165 | 6D6L | FY4 | 5.29412 |
166 | 5VL2 | 9EG | 5.30303 |
167 | 5GP0 | GPP | 5.36913 |
168 | 5V1B | 8UY | 5.41667 |
169 | 3CBC | DBS | 5.55556 |
170 | 4USF | 6UI | 5.59211 |
171 | 1W96 | S1A | 5.59567 |
172 | 1KDK | DHT | 5.64972 |
173 | 5AYT | L6Y | 5.66038 |
174 | 3LXN | MI1 | 5.66038 |
175 | 2WAT | COA | 5.7377 |
176 | 4C5N | ACP | 5.7971 |
177 | 4B2Z | P5S | 5.80357 |
178 | 5VM6 | 9EG | 5.83942 |
179 | 4IAW | LIZ | 5.85106 |
180 | 3QH2 | 3NM | 5.88235 |
181 | 1RYD | GLC | 5.94315 |
182 | 3G08 | FEE | 5.96491 |
183 | 5XLX | SAH | 6.02837 |
184 | 2QBU | SAH | 6.03448 |
185 | 5D9G | GLU ASN LEU TYR PHE GLN | 6.09756 |
186 | 2YC5 | 6BC | 6.14035 |
187 | 4INI | AMP | 6.15385 |
188 | 4KS7 | X4Z | 6.16438 |
189 | 2AGC | DAO | 6.17284 |
190 | 3FW4 | CAQ | 6.17978 |
191 | 6DZN | AE3 | 6.19469 |
192 | 5NKB | 8ZT | 6.20915 |
193 | 4P8O | 883 | 6.41711 |
194 | 2IU8 | PLM | 6.41711 |
195 | 2YBQ | SAH | 6.50685 |
196 | 3NZ1 | 3NY | 6.51341 |
197 | 3EM0 | CHD | 6.52174 |
198 | 3O3R | NAP | 6.64557 |
199 | 4KBA | 1QM | 6.64653 |
200 | 5W4W | 9WG | 6.64653 |
201 | 4LOO | SB4 | 6.6482 |
202 | 6GWR | FEW | 6.66667 |
203 | 6GNO | XDI | 6.66667 |
204 | 5YBN | AKG | 6.6879 |
205 | 3E8N | ATP | 6.74487 |
206 | 3E8N | VRA | 6.74487 |
207 | 5Y4R | C2E | 6.89655 |
208 | 6EQS | BV8 | 6.90909 |
209 | 3LXK | MI1 | 7.03364 |
210 | 6C8X | BVR | 7.07071 |
211 | 4R38 | RBF | 7.14286 |
212 | 5MW4 | 5JU | 7.48503 |
213 | 5HES | 032 | 7.49186 |
214 | 5CEO | 50D | 7.66667 |
215 | 4ZS4 | ATP | 7.81759 |
216 | 4CQE | CQE | 7.91367 |
217 | 4YT4 | FE9 | 8 |
218 | 4N65 | FMN | 8.01887 |
219 | 6C0T | EE4 | 8.06916 |
220 | 1IA9 | ANP | 8.21429 |
221 | 5TKJ | ALA VAL GLY ILE GLY ALA VAL PHE | 8.21918 |
222 | 4O9S | 2RY | 8.37209 |
223 | 5HWV | MBN | 8.46154 |
224 | 1V3S | ATP | 8.62069 |
225 | 2Z77 | HE7 | 8.63309 |
226 | 5XDT | ZI7 | 8.76623 |
227 | 1I7M | CG | 8.95522 |
228 | 4P5Z | Q7M | 9.14127 |
229 | 2HKA | C3S | 9.23077 |
230 | 5VC5 | 96M | 9.34256 |
231 | 3KV8 | FAH | 9.35252 |
232 | 4X9X | OLA | 9.36455 |
233 | 4TW7 | 37K | 9.375 |
234 | 5OX6 | A1Z | 9.52381 |
235 | 4F4P | 0SB | 9.89011 |
236 | 6EXF | LYS | 9.94624 |
237 | 2BKK | ADP | 10.0592 |
238 | 5HW4 | SAM | 10.0806 |
239 | 2YAK | OSV | 10.1754 |
240 | 2TPI | ILE VAL | 10.3448 |
241 | 4DQ2 | BTX | 10.3659 |
242 | 5OF1 | SAL | 10.9524 |
243 | 2AG4 | LP3 | 10.9756 |
244 | 2AG4 | OLA | 10.9756 |
245 | 3OVR | 5SP | 11.4035 |
246 | 2VBU | CDP | 11.7647 |
247 | 2Y6O | 1N1 | 12.0275 |
248 | 4XTX | 590 | 12.2222 |
249 | 4USI | ATP | 12.987 |
250 | 5K2M | ADP | 13.2075 |
251 | 2X34 | UQ8 | 13.2597 |
252 | 4XIZ | LPP | 13.5294 |
253 | 5XLY | C2E | 13.5338 |
254 | 1JIF | CU BLM | 13.9344 |
255 | 2X32 | OTP | 13.9665 |
256 | 4NG2 | OHN | 14.1593 |
257 | 4CVZ | TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU | 15.3061 |
258 | 2J9C | ATP | 15.9664 |
259 | 2J9D | ADP | 15.9664 |
260 | 2J9D | AMP | 15.9664 |
261 | 6H39 | FGY | 16.6667 |
262 | 4X6F | 3XU | 17.1429 |
263 | 1LSH | PLD | 17.2414 |
264 | 4F7E | 0SH | 17.3469 |
265 | 6CDO | ALA VAL GLY ILE GLY ALA VAL PHE | 17.8082 |
266 | 4L4V | 1VY | 18.1818 |
267 | 5IXH | OTP | 19.2547 |
268 | 5UKL | SIX | 19.3548 |
269 | 5F7N | NAG GAL FUC FUC A2G | 21.6667 |
270 | 5F7Y | GLC GAL NAG GAL FUC A2G | 21.6667 |
271 | 3LF0 | ATP | 23.6842 |
272 | 1BW9 | PPY | 24.1573 |
273 | 3NCQ | ATP | 26.8908 |
274 | 3ZCB | ATP | 37.0968 |