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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 | 5K3E | - | GOA | C2 H4 O3 | C(C(=O)O)O |
2 | 6QHW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
3 | 6QKW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
4 | 6QHU | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
5 | 3R3Z | - | GOA | C2 H4 O3 | C(C(=O)O)O |
6 | 5K3B | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
7 | 6QKU | - | GOA | C2 H4 O3 | C(C(=O)O)O |
8 | 6QI3 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 3R3X | - | BXA | C2 H3 Br O2 | C(C(=O)O)B.... |
10 | 6GXT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
11 | 6QHX | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
12 | 6QHT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
13 | 6QHS | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
14 | 6QI1 | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
15 | 6QHQ | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
16 | 6QKT | - | GOA | C2 H4 O3 | C(C(=O)O)O |
17 | 6QHV | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
18 | 3R3V | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
19 | 3R3W | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
20 | 6QI2 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
21 | 5SWN | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
22 | 6QHY | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
23 | 6GXD | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
24 | 6QI0 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3B12 | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
2 | 4B9E | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
3 | 5K3E | - | GOA | C2 H4 O3 | C(C(=O)O)O |
4 | 6QHW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
5 | 6QKW | - | GOA | C2 H4 O3 | C(C(=O)O)O |
6 | 6QHU | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
7 | 3R3Z | - | GOA | C2 H4 O3 | C(C(=O)O)O |
8 | 5K3B | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
9 | 6QKU | - | GOA | C2 H4 O3 | C(C(=O)O)O |
10 | 6QI3 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
11 | 3R3X | - | BXA | C2 H3 Br O2 | C(C(=O)O)B.... |
12 | 6GXT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
13 | 6QHX | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
14 | 6QHT | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
15 | 6QHS | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
16 | 6QI1 | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
17 | 6QHQ | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
18 | 6QKT | - | GOA | C2 H4 O3 | C(C(=O)O)O |
19 | 6QHV | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
20 | 3R3V | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
21 | 3R3W | - | R3W | C2 H3 Cl O2 | C(C(=O)O)C.... |
22 | 6QI2 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
23 | 5SWN | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
24 | 6QHY | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
25 | 6GXD | - | FAH | C2 H3 F O2 | C(C(=O)O)F |
26 | 6QI0 | - | GOA | C2 H4 O3 | C(C(=O)O)O |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLY | 1.0000 |
2 | AKR | 1.0000 |
3 | HVB | 1.0000 |
4 | 1BP | 1.0000 |
5 | 2A1 | 1.0000 |
6 | GLV | 1.0000 |
7 | NIE | 1.0000 |
8 | J3K | 1.0000 |
9 | GOA | 0.9986 |
10 | NMU | 0.9981 |
11 | F50 | 0.9981 |
12 | 61G | 0.9972 |
13 | ATO | 0.9942 |
14 | F3V | 0.9941 |
15 | 2A3 | 0.9933 |
16 | MGX | 0.9876 |
17 | CP2 | 0.9872 |
18 | HAE | 0.9860 |
19 | NHY | 0.9860 |
20 | AGU | 0.9851 |
21 | TSZ | 0.9811 |
22 | BUA | 0.9745 |
23 | SAR | 0.9694 |
24 | BUQ | 0.9689 |
25 | BMD | 0.9681 |
26 | BU4 | 0.9677 |
27 | BAL | 0.9670 |
28 | LAC | 0.9657 |
29 | AOA | 0.9652 |
30 | EGD | 0.9642 |
31 | TCV | 0.9638 |
32 | OXM | 0.9637 |
33 | BRP | 0.9621 |
34 | ALA | 0.9620 |
35 | BUB | 0.9604 |
36 | PXO | 0.9599 |
37 | ALQ | 0.9596 |
38 | 6SP | 0.9594 |
39 | MTG | 0.9593 |
40 | NIS | 0.9569 |
41 | OXL | 0.9555 |
42 | GOL | 0.9551 |
43 | 2OP | 0.9550 |
44 | PYR | 0.9548 |
45 | 3CL | 0.9546 |
46 | 3GR | 0.9543 |
47 | 1CB | 0.9535 |
48 | BAQ | 0.9525 |
49 | HBR | 0.9522 |
50 | 4MZ | 0.9514 |
51 | NAK | 0.9503 |
52 | GXV | 0.9495 |
53 | 5MP | 0.9490 |
54 | 5KX | 0.9480 |
55 | 9A4 | 0.9479 |
56 | BYZ | 0.9477 |
57 | JZ6 | 0.9475 |
58 | HBS | 0.9471 |
59 | 3OH | 0.9467 |
60 | 1MZ | 0.9464 |
61 | CYS | 0.9458 |
62 | 2MZ | 0.9458 |
63 | ATQ | 0.9456 |
64 | MR3 | 0.9453 |
65 | MEU | 0.9451 |
66 | OXD | 0.9449 |
67 | MSF | 0.9447 |
68 | OSM | 0.9444 |
69 | GBL | 0.9439 |
70 | BUO | 0.9430 |
71 | HOW | 0.9427 |
72 | 3MT | 0.9422 |
73 | DAL | 0.9422 |
74 | ES3 | 0.9416 |
75 | QPT | 0.9411 |
76 | MMU | 0.9401 |
77 | TF4 | 0.9400 |
78 | SLP | 0.9400 |
79 | AMT | 0.9398 |
80 | 3TR | 0.9395 |
81 | PYM | 0.9393 |
82 | HGY | 0.9391 |
83 | 2AI | 0.9386 |
84 | ITU | 0.9384 |
85 | ACM | 0.9365 |
86 | ABA | 0.9348 |
87 | 3ZS | 0.9347 |
88 | ACT | 0.9342 |
89 | PYZ | 0.9335 |
90 | 3BB | 0.9334 |
91 | EDO | 0.9330 |
92 | MZY | 0.9320 |
93 | SEY | 0.9311 |
94 | 5Y9 | 0.9307 |
95 | XAP | 0.9307 |
96 | CRD | 0.9298 |
97 | ETF | 0.9296 |
98 | 13D | 0.9292 |
99 | AF3 | 0.9282 |
100 | ALF | 0.9279 |
101 | 2HA | 0.9275 |
102 | IPA | 0.9273 |
103 | BEF | 0.9268 |
104 | BRJ | 0.9268 |
105 | AXO | 0.9260 |
106 | D2P | 0.9258 |
107 | 0CL | 0.9256 |
108 | 78T | 0.9238 |
109 | 2PO | 0.9216 |
110 | PZO | 0.9198 |
111 | ISU | 0.9194 |
112 | BXO | 0.9192 |
113 | MTD | 0.9191 |
114 | BBU | 0.9189 |
115 | 3BR | 0.9151 |
116 | TRI | 0.9147 |
117 | IMD | 0.9142 |
118 | HSW | 0.9133 |
119 | VSO | 0.9132 |
120 | CNH | 0.9125 |
121 | NOE | 0.9114 |
122 | HUH | 0.9107 |
123 | FJO | 0.9088 |
124 | MMQ | 0.9088 |
125 | TB0 | 0.9088 |
126 | BVG | 0.9079 |
127 | 2EZ | 0.9075 |
128 | FW5 | 0.9071 |
129 | DE2 | 0.9061 |
130 | NVI | 0.9059 |
131 | 1AC | 0.9056 |
132 | SGL | 0.9052 |
133 | HIU | 0.9051 |
134 | MZ0 | 0.9047 |
135 | KCS | 0.9045 |
136 | DSS | 0.9041 |
137 | PRI | 0.9039 |
138 | 2KT | 0.9021 |
139 | SER | 0.9017 |
140 | DGY | 0.9014 |
141 | 03W | 0.9014 |
142 | 3PY | 0.9011 |
143 | 03S | 0.9007 |
144 | DSN | 0.9007 |
145 | 1SP | 0.9002 |
146 | SMB | 0.8998 |
147 | CHT | 0.8995 |
148 | ETX | 0.8995 |
149 | HUI | 0.8993 |
150 | BVC | 0.8991 |
151 | A3B | 0.8987 |
152 | CXL | 0.8978 |
153 | CYH | 0.8978 |
154 | ETM | 0.8978 |
155 | 8X3 | 0.8977 |
156 | TAU | 0.8976 |
157 | TAN | 0.8975 |
158 | DCE | 0.8970 |
159 | HAI | 0.8970 |
160 | 9A7 | 0.8963 |
161 | MB3 | 0.8962 |
162 | 7EX | 0.8960 |
163 | BTL | 0.8958 |
164 | PUT | 0.8955 |
165 | 0PY | 0.8945 |
166 | 2RA | 0.8942 |
167 | HSL | 0.8941 |
168 | DBB | 0.8941 |
169 | DXX | 0.8939 |
170 | MCH | 0.8938 |
171 | HYN | 0.8937 |
172 | HVQ | 0.8936 |
173 | 2HP | 0.8933 |
174 | IPH | 0.8933 |
175 | DCY | 0.8930 |
176 | VN4 | 0.8930 |
177 | BNZ | 0.8925 |
178 | XIX | 0.8923 |
179 | XPO | 0.8923 |
180 | KG7 | 0.8918 |
181 | 93B | 0.8910 |
182 | L60 | 0.8908 |
183 | 2IM | 0.8902 |
184 | C2N | 0.8902 |
185 | 39J | 0.8901 |
186 | PHZ | 0.8899 |
187 | GB | 0.8898 |
188 | B20 | 0.8897 |
189 | CEJ | 0.8894 |
190 | P1R | 0.8888 |
191 | 2HE | 0.8888 |
192 | MMZ | 0.8887 |
193 | 25T | 0.8881 |
194 | HLT | 0.8863 |
195 | COM | 0.8853 |
196 | TBU | 0.8852 |
197 | 1DH | 0.8846 |
198 | E60 | 0.8845 |
199 | 24T | 0.8842 |
200 | A2Q | 0.8841 |
201 | 4AX | 0.8840 |
202 | HV2 | 0.8840 |
203 | TMO | 0.8835 |
204 | 4AP | 0.8830 |
205 | V1L | 0.8830 |
206 | 8FH | 0.8828 |
207 | POA | 0.8827 |
208 | MBN | 0.8827 |
209 | HRZ | 0.8826 |
210 | DMG | 0.8823 |
211 | 3AP | 0.8820 |
212 | LGA | 0.8820 |
213 | HVK | 0.8816 |
214 | 2AP | 0.8816 |
215 | HHN | 0.8815 |
216 | GXE | 0.8805 |
217 | P7I | 0.8804 |
218 | 8CL | 0.8803 |
219 | PIH | 0.8788 |
220 | 9SB | 0.8782 |
221 | DTI | 0.8777 |
222 | 9PO | 0.8776 |
223 | FUS | 0.8773 |
224 | KSW | 0.8760 |
225 | 3HR | 0.8759 |
226 | MLI | 0.8758 |
227 | FPO | 0.8755 |
228 | TTO | 0.8748 |
229 | HGW | 0.8748 |
230 | MLA | 0.8743 |
231 | 2PA | 0.8737 |
232 | C5J | 0.8730 |
233 | PO4 | 0.8728 |
234 | DMI | 0.8720 |
235 | BF4 | 0.8714 |
236 | 3HL | 0.8713 |
237 | PPF | 0.8698 |
238 | TAY | 0.8693 |
239 | AAE | 0.8685 |
240 | WO6 | 0.8673 |
This union binding pocket(no: 1) in the query (biounit: 3r3v.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |