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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 | 2XUA | - | SHF | C5 H8 O3 | CC(=O)CCC(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2XUA | - | SHF | C5 H8 O3 | CC(=O)CCC(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HX2 | 1.0000 |
2 | FUM | 0.9980 |
3 | MAE | 0.9895 |
4 | NMG | 0.9885 |
5 | H95 | 0.9700 |
6 | DQY | 0.9695 |
7 | MLI | 0.9672 |
8 | MLT | 0.9660 |
9 | ASP | 0.9654 |
10 | ASN | 0.9649 |
11 | LMR | 0.9632 |
12 | MLA | 0.9612 |
13 | OAA | 0.9611 |
14 | IOM | 0.9550 |
15 | CRN | 0.9544 |
16 | ITN | 0.9496 |
17 | ABU | 0.9495 |
18 | OKG | 0.9494 |
19 | UGC | 0.9491 |
20 | SSN | 0.9483 |
21 | X1S | 0.9477 |
22 | URP | 0.9475 |
23 | PGA | 0.9465 |
24 | GLY GLY | 0.9450 |
25 | PRO | 0.9444 |
26 | HTX | 0.9441 |
27 | GLU | 0.9436 |
28 | HDA | 0.9425 |
29 | DYA | 0.9421 |
30 | 6NA | 0.9420 |
31 | TEO | 0.9414 |
32 | PG3 | 0.9412 |
33 | 40E | 0.9397 |
34 | DAS | 0.9393 |
35 | THE | 0.9387 |
36 | HCS | 0.9376 |
37 | 2RH | 0.9372 |
38 | HSE | 0.9365 |
39 | NXA | 0.9360 |
40 | LEU | 0.9353 |
41 | OEG | 0.9329 |
42 | DAV | 0.9324 |
43 | G3P | 0.9316 |
44 | 9X6 | 0.9316 |
45 | S0H | 0.9308 |
46 | GLN | 0.9277 |
47 | VKC | 0.9276 |
48 | COI | 0.9275 |
49 | 98J | 0.9271 |
50 | EOU | 0.9266 |
51 | BUB | 0.9266 |
52 | TB6 | 0.9262 |
53 | 7VD | 0.9259 |
54 | HZP | 0.9258 |
55 | 3PP | 0.9253 |
56 | T2C | 0.9253 |
57 | 9X7 | 0.9240 |
58 | MUC | 0.9224 |
59 | OK7 | 0.9223 |
60 | 5XA | 0.9218 |
61 | 69O | 0.9216 |
62 | IPU | 0.9213 |
63 | TLA | 0.9212 |
64 | JYD | 0.9207 |
65 | XUL | 0.9198 |
66 | PUT | 0.9197 |
67 | 1GP | 0.9187 |
68 | PAH | 0.9183 |
69 | BEZ | 0.9178 |
70 | IZC | 0.9170 |
71 | FBJ | 0.9168 |
72 | URQ | 0.9168 |
73 | ISZ | 0.9163 |
74 | PRS | 0.9161 |
75 | HSM | 0.9160 |
76 | 3SS | 0.9159 |
77 | JZ5 | 0.9159 |
78 | CFI | 0.9159 |
79 | 2PC | 0.9158 |
80 | BAM | 0.9154 |
81 | XBT | 0.9154 |
82 | 0VT | 0.9152 |
83 | 1DU | 0.9151 |
84 | PGH | 0.9147 |
85 | PBC | 0.9140 |
86 | G3H | 0.9136 |
87 | SPV | 0.9133 |
88 | CMS | 0.9130 |
89 | 49F | 0.9130 |
90 | YCP | 0.9128 |
91 | MEQ | 0.9125 |
92 | 16D | 0.9125 |
93 | ACH | 0.9123 |
94 | ETX | 0.9121 |
95 | 6PC | 0.9117 |
96 | SD4 | 0.9112 |
97 | 13P | 0.9112 |
98 | HE2 | 0.9110 |
99 | AL0 | 0.9109 |
100 | PEP | 0.9108 |
101 | TPA | 0.9104 |
102 | HIO | 0.9100 |
103 | DGN | 0.9097 |
104 | SRT | 0.9097 |
105 | 1KA | 0.9096 |
106 | 2HG | 0.9096 |
107 | HL5 | 0.9095 |
108 | PHU | 0.9093 |
109 | 1SP | 0.9092 |
110 | GP9 | 0.9091 |
111 | OGA | 0.9091 |
112 | 2IT | 0.9085 |
113 | GGL | 0.9085 |
114 | SS2 | 0.9081 |
115 | OPE | 0.9081 |
116 | TAR | 0.9075 |
117 | RSO | 0.9074 |
118 | GZ3 | 0.9074 |
119 | AG2 | 0.9073 |
120 | HSO | 0.9071 |
121 | DPR | 0.9071 |
122 | PZI | 0.9066 |
123 | SPA | 0.9065 |
124 | SHO | 0.9065 |
125 | ZBT | 0.9064 |
126 | YIV | 0.9062 |
127 | CSS | 0.9055 |
128 | 3SL | 0.9052 |
129 | 7WG | 0.9052 |
130 | 5FX | 0.9051 |
131 | XRG | 0.9050 |
132 | 2CO | 0.9050 |
133 | BHO | 0.9049 |
134 | PE9 | 0.9046 |
135 | DCL | 0.9041 |
136 | BNS | 0.9040 |
137 | FQI | 0.9038 |
138 | M6W | 0.9034 |
139 | URO | 0.9033 |
140 | 3OC | 0.9033 |
141 | NVA | 0.9029 |
142 | 9ON | 0.9027 |
143 | PZA | 0.9026 |
144 | NLE | 0.9024 |
145 | NIZ | 0.9023 |
146 | XYL | 0.9023 |
147 | K34 | 0.9016 |
148 | 2AS | 0.9014 |
149 | MPD | 0.9007 |
150 | LTL | 0.9006 |
151 | GJZ | 0.9005 |
152 | BHH | 0.9002 |
153 | KMH | 0.9000 |
154 | CXF | 0.8998 |
155 | AC0 | 0.8997 |
156 | ROR | 0.8996 |
157 | 9YL | 0.8995 |
158 | PSE | 0.8995 |
159 | ONL | 0.8995 |
160 | ITU | 0.8993 |
161 | UYA | 0.8992 |
162 | S2G | 0.8990 |
163 | HYP | 0.8990 |
164 | QY9 | 0.8988 |
165 | CCE | 0.8987 |
166 | FBM | 0.8984 |
167 | PAC | 0.8983 |
168 | MRZ | 0.8981 |
169 | IHG | 0.8975 |
170 | BXO | 0.8973 |
171 | ICF | 0.8971 |
172 | 7BC | 0.8968 |
173 | SMV | 0.8967 |
174 | HIS | 0.8960 |
175 | PIS | 0.8957 |
176 | RB5 | 0.8956 |
177 | TZL | 0.8956 |
178 | SS1 | 0.8955 |
179 | PPR | 0.8954 |
180 | 7N0 | 0.8949 |
181 | 0V5 | 0.8948 |
182 | PG0 | 0.8941 |
183 | 6JN | 0.8941 |
184 | JBN | 0.8941 |
185 | 3OL | 0.8940 |
186 | 4LR | 0.8939 |
187 | DAB | 0.8939 |
188 | 271 | 0.8937 |
189 | F9P | 0.8936 |
190 | 1SH | 0.8932 |
191 | GLY ALA | 0.8927 |
192 | 4CS | 0.8923 |
193 | HY1 | 0.8920 |
194 | IP8 | 0.8915 |
195 | CYX | 0.8907 |
196 | MET | 0.8907 |
197 | CHH | 0.8906 |
198 | 1SA | 0.8906 |
199 | DE5 | 0.8904 |
200 | AML | 0.8903 |
201 | A20 | 0.8897 |
202 | FAN | 0.8894 |
203 | ORN | 0.8890 |
204 | PLU | 0.8889 |
205 | CCD | 0.8882 |
206 | XAP | 0.8882 |
207 | 3OM | 0.8881 |
208 | J9N | 0.8879 |
209 | 129 | 0.8874 |
210 | PIM | 0.8874 |
211 | DGL | 0.8872 |
212 | 54D | 0.8868 |
213 | 4HA | 0.8864 |
214 | XLS | 0.8863 |
215 | SEP | 0.8861 |
216 | FW5 | 0.8857 |
217 | KVV | 0.8853 |
218 | R67 | 0.8851 |
219 | QSC | 0.8849 |
220 | FB2 | 0.8847 |
221 | I1E | 0.8838 |
222 | AC6 | 0.8830 |
223 | M45 | 0.8827 |
224 | PMB | 0.8827 |
225 | MED | 0.8826 |
226 | AHB | 0.8821 |
227 | O8Y | 0.8818 |
228 | LNO | 0.8815 |
229 | PIY | 0.8814 |
230 | PEQ | 0.8812 |
231 | 8EW | 0.8811 |
232 | SGL | 0.8811 |
233 | LLQ | 0.8809 |
234 | N6C | 0.8805 |
235 | 3HG | 0.8803 |
236 | PEL | 0.8800 |
237 | IXW | 0.8795 |
238 | JZ7 | 0.8795 |
239 | PEA | 0.8782 |
240 | RNS | 0.8768 |
241 | ACA | 0.8762 |
242 | NM3 | 0.8749 |
243 | BHL | 0.8747 |
244 | NBN | 0.8745 |
245 | 2EH | 0.8744 |
246 | 9J3 | 0.8741 |
247 | MDN | 0.8740 |
248 | 3S5 | 0.8735 |
249 | 069 | 0.8733 |
250 | KMT | 0.8723 |
251 | DHI | 0.8723 |
252 | FEH | 0.8723 |
253 | 3YP | 0.8715 |
254 | URS | 0.8715 |
255 | 7CL | 0.8706 |
256 | K6H | 0.8705 |
257 | 3PG | 0.8702 |
258 | QMP | 0.8699 |
259 | BNF | 0.8687 |
260 | DAL DAL | 0.8686 |
261 | I4B | 0.8685 |
262 | SME | 0.8684 |
263 | LYS | 0.8682 |
264 | RUJ | 0.8667 |
265 | AT3 | 0.8661 |
266 | S8V | 0.8652 |
267 | 8K2 | 0.8652 |
268 | HG3 | 0.8648 |
269 | M3H | 0.8642 |
270 | GPJ | 0.8641 |
271 | GPF | 0.8641 |
272 | DYT | 0.8637 |
273 | TIH | 0.8626 |
274 | ZGL | 0.8611 |
275 | DHS | 0.8611 |
276 | MZT | 0.8602 |
277 | NCT | 0.8600 |
278 | FOC | 0.8599 |
279 | PRA | 0.8583 |
280 | 2FT | 0.8567 |
281 | KVP | 0.8567 |
This union binding pocket(no: 1) in the query (biounit: 2xua.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |