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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 | 4OSY | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
2 | 4PVS | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
3 | 4OSX | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
4 | 4PVR | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
5 | 4O0F | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
6 | 4O0D | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
7 | 4PVP | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
8 | 4O48 | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4OSY | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
2 | 4PVS | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
3 | 4OSX | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
4 | 4PVR | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
5 | 4O0F | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
6 | 4O0D | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
7 | 4PVP | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
8 | 4O48 | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLV | 1.0257 |
2 | HAE | 1.0000 |
3 | J3K | 1.0000 |
4 | 61G | 1.0000 |
5 | 2A1 | 1.0000 |
6 | 1BP | 1.0000 |
7 | 2A3 | 1.0000 |
8 | EDO | 1.0000 |
9 | BRJ | 1.0000 |
10 | NOE | 1.0000 |
11 | MGX | 1.0000 |
12 | F50 | 1.0000 |
13 | BXA | 1.0000 |
14 | AGU | 1.0000 |
15 | PPI | 1.0000 |
16 | AKR | 1.0000 |
17 | NIE | 1.0000 |
18 | FAH | 1.0000 |
19 | GOA | 1.0000 |
20 | R3W | 1.0000 |
21 | NMU | 1.0000 |
22 | NHY | 1.0000 |
23 | F3V | 1.0000 |
24 | HVB | 1.0000 |
25 | ATO | 0.9993 |
26 | TSZ | 0.9961 |
27 | ALA | 0.9954 |
28 | OSM | 0.9953 |
29 | CP2 | 0.9916 |
30 | AOA | 0.9846 |
31 | AXO | 0.9840 |
32 | 3BR | 0.9835 |
33 | 9A4 | 0.9822 |
34 | PXO | 0.9818 |
35 | SAR | 0.9798 |
36 | GOL | 0.9787 |
37 | BU4 | 0.9767 |
38 | OXL | 0.9755 |
39 | NIS | 0.9748 |
40 | DAL | 0.9737 |
41 | OXM | 0.9733 |
42 | GXV | 0.9729 |
43 | BUA | 0.9721 |
44 | 3OH | 0.9719 |
45 | BMD | 0.9714 |
46 | BRP | 0.9711 |
47 | OXD | 0.9705 |
48 | TCV | 0.9704 |
49 | LAC | 0.9682 |
50 | 2OP | 0.9682 |
51 | PYR | 0.9679 |
52 | HGY | 0.9660 |
53 | QPT | 0.9660 |
54 | DCE | 0.9659 |
55 | NAK | 0.9647 |
56 | 6SP | 0.9642 |
57 | 1CB | 0.9640 |
58 | HBR | 0.9637 |
59 | ALQ | 0.9637 |
60 | HBS | 0.9620 |
61 | 4MZ | 0.9600 |
62 | 2HA | 0.9597 |
63 | PYM | 0.9596 |
64 | BAQ | 0.9588 |
65 | MEU | 0.9585 |
66 | 3GR | 0.9582 |
67 | 2MZ | 0.9581 |
68 | GBL | 0.9579 |
69 | BUQ | 0.9570 |
70 | BUO | 0.9557 |
71 | 3CL | 0.9532 |
72 | CRD | 0.9528 |
73 | 3MT | 0.9523 |
74 | HOW | 0.9521 |
75 | MR3 | 0.9519 |
76 | ABA | 0.9519 |
77 | 1MZ | 0.9512 |
78 | MMU | 0.9510 |
79 | 3ZS | 0.9509 |
80 | 2AI | 0.9505 |
81 | BUB | 0.9505 |
82 | ATQ | 0.9502 |
83 | JZ6 | 0.9501 |
84 | 3TR | 0.9493 |
85 | ACT | 0.9492 |
86 | ETF | 0.9490 |
87 | AMT | 0.9489 |
88 | 5Y9 | 0.9488 |
89 | 5KX | 0.9481 |
90 | 13D | 0.9474 |
91 | MTG | 0.9468 |
92 | CYS | 0.9457 |
93 | BYZ | 0.9442 |
94 | ITU | 0.9434 |
95 | BXO | 0.9429 |
96 | CB0 | 0.9427 |
97 | SO2 | 0.9425 |
98 | SLP | 0.9425 |
99 | HP4 | 0.9410 |
100 | XAP | 0.9404 |
101 | 3BB | 0.9398 |
102 | MZY | 0.9395 |
103 | TF4 | 0.9390 |
104 | PYZ | 0.9377 |
105 | N2O | 0.9375 |
106 | 5MP | 0.9367 |
107 | 9A7 | 0.9366 |
108 | ES3 | 0.9364 |
109 | 78T | 0.9358 |
110 | AF3 | 0.9357 |
111 | 2PO | 0.9353 |
112 | ACM | 0.9352 |
113 | IPA | 0.9348 |
114 | BEF | 0.9339 |
115 | VSO | 0.9338 |
116 | D2P | 0.9336 |
117 | ALF | 0.9326 |
118 | HSW | 0.9325 |
119 | PZO | 0.9319 |
120 | SEY | 0.9317 |
121 | 0CL | 0.9309 |
122 | TRI | 0.9307 |
123 | IMD | 0.9296 |
124 | BBU | 0.9282 |
125 | MSF | 0.9276 |
126 | MZ0 | 0.9268 |
127 | HUH | 0.9266 |
128 | MMQ | 0.9235 |
129 | MSM | 0.9230 |
130 | THR | 0.9220 |
131 | 2KT | 0.9218 |
132 | TAN | 0.9214 |
133 | 1AC | 0.9213 |
134 | SER | 0.9211 |
135 | TB0 | 0.9211 |
136 | CNH | 0.9209 |
137 | BBX | 0.9200 |
138 | PUT | 0.9192 |
139 | FW5 | 0.9192 |
140 | KCS | 0.9182 |
141 | HYN | 0.9182 |
142 | BVG | 0.9180 |
143 | DE2 | 0.9178 |
144 | DSN | 0.9164 |
145 | 03W | 0.9162 |
146 | DGY | 0.9162 |
147 | MTD | 0.9159 |
148 | HIU | 0.9155 |
149 | KG7 | 0.9153 |
150 | BVC | 0.9152 |
151 | FJO | 0.9147 |
152 | DXX | 0.9145 |
153 | XIX | 0.9143 |
154 | MB3 | 0.9134 |
155 | DBB | 0.9120 |
156 | A3B | 0.9120 |
157 | 3PY | 0.9118 |
158 | HAI | 0.9113 |
159 | NVI | 0.9111 |
160 | HUI | 0.9110 |
161 | B20 | 0.9108 |
162 | CXL | 0.9106 |
163 | CYH | 0.9106 |
164 | P1R | 0.9098 |
165 | A2Q | 0.9098 |
166 | 0PY | 0.9081 |
167 | BNZ | 0.9081 |
168 | CEJ | 0.9080 |
169 | CHT | 0.9074 |
170 | PRI | 0.9073 |
171 | ETX | 0.9072 |
172 | 25T | 0.9062 |
173 | 39J | 0.9057 |
174 | SMB | 0.9057 |
175 | HSL | 0.9054 |
176 | 24T | 0.9050 |
177 | 4AX | 0.9031 |
178 | 7EX | 0.9030 |
179 | L60 | 0.9028 |
180 | 1SP | 0.9026 |
181 | 8FH | 0.9024 |
182 | PHZ | 0.9023 |
183 | XPO | 0.9019 |
184 | 2HP | 0.9019 |
185 | 2EZ | 0.9013 |
186 | SGL | 0.9004 |
187 | FPO | 0.8999 |
188 | VN4 | 0.8993 |
189 | BTL | 0.8991 |
190 | HVQ | 0.8987 |
191 | TAU | 0.8986 |
192 | 2IM | 0.8985 |
193 | TMO | 0.8985 |
194 | IPH | 0.8983 |
195 | DTI | 0.8978 |
196 | EGD | 0.8976 |
197 | MCH | 0.8975 |
198 | E60 | 0.8974 |
199 | 03S | 0.8974 |
200 | DSS | 0.8968 |
201 | DMG | 0.8966 |
202 | MLA | 0.8965 |
203 | C5J | 0.8965 |
204 | HV2 | 0.8963 |
205 | C2N | 0.8963 |
206 | 8X3 | 0.8961 |
207 | 1DH | 0.8953 |
208 | MLI | 0.8952 |
209 | V1L | 0.8947 |
210 | 93B | 0.8943 |
211 | 9PO | 0.8942 |
212 | MMZ | 0.8940 |
213 | 4AP | 0.8936 |
214 | GB | 0.8936 |
215 | SSN | 0.8935 |
216 | LGA | 0.8933 |
217 | 2AP | 0.8932 |
218 | HVK | 0.8932 |
219 | PPF | 0.8931 |
220 | 3AP | 0.8930 |
221 | TAY | 0.8929 |
222 | HRZ | 0.8927 |
223 | PO4 | 0.8927 |
224 | MBN | 0.8919 |
225 | KSW | 0.8918 |
226 | TBU | 0.8917 |
227 | WOT | 0.8907 |
228 | DCY | 0.8904 |
229 | BF4 | 0.8901 |
230 | 3HL | 0.8899 |
231 | FUS | 0.8896 |
232 | ETM | 0.8887 |
233 | DMI | 0.8881 |
234 | 2HE | 0.8879 |
235 | HLT | 0.8876 |
236 | COM | 0.8875 |
237 | 3HR | 0.8868 |
238 | MLM | 0.8864 |
239 | GXE | 0.8857 |
240 | AAE | 0.8850 |
241 | HHN | 0.8850 |
242 | PIH | 0.8844 |
243 | 8CL | 0.8841 |
244 | P7I | 0.8841 |
245 | 2PA | 0.8840 |
246 | IVA | 0.8825 |
247 | 9XN | 0.8811 |
248 | POA | 0.8809 |
249 | 9SB | 0.8792 |
250 | WO6 | 0.8776 |
251 | TTO | 0.8755 |
252 | HGW | 0.8750 |
253 | P2D | 0.8688 |
254 | ART | 0.8686 |
255 | EFS | 0.8679 |
256 | 280 | 0.8605 |
257 | PEJ | 0.8598 |
This union binding pocket(no: 1) in the query (biounit: 4pvr.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1APZ | ASP | 42.5532 |
2 | 1APZ | ASP | 42.5532 |
This union binding pocket(no: 2) in the query (biounit: 4pvr.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1APZ | ASP | 42.5532 |
2 | 1APZ | ASP | 42.5532 |