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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 1205 families. | |||||
1 | 5XNA | - | SHV | C7 H14 O2 | CCCCCCC(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1039 families. | |||||
1 | 5XNA | - | SHV | C7 H14 O2 | CCCCCCC(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SHV | 1 | 1 |
2 | OCA | 0.869565 | 0.952381 |
3 | MYR | 0.833333 | 0.952381 |
4 | EW8 | 0.833333 | 0.952381 |
5 | TDA | 0.833333 | 0.952381 |
6 | F15 | 0.833333 | 0.952381 |
7 | PLM | 0.833333 | 0.952381 |
8 | STE | 0.833333 | 0.952381 |
9 | DAO | 0.833333 | 0.952381 |
10 | KNA | 0.833333 | 0.952381 |
11 | DCR | 0.833333 | 0.952381 |
12 | F23 | 0.833333 | 0.952381 |
13 | 11A | 0.833333 | 0.952381 |
14 | DKA | 0.833333 | 0.952381 |
15 | X90 | 0.833333 | 0.952381 |
16 | 6NA | 0.782609 | 0.95 |
17 | PML | 0.681818 | 0.625 |
18 | KTC | 0.666667 | 0.833333 |
19 | LEA | 0.652174 | 0.85 |
20 | AZ1 | 0.652174 | 0.6 |
21 | VCA | 0.606061 | 0.909091 |
22 | NER | 0.606061 | 0.909091 |
23 | PAM | 0.606061 | 0.909091 |
24 | ELA | 0.606061 | 0.909091 |
25 | OLA | 0.606061 | 0.909091 |
26 | MYZ | 0.529412 | 0.863636 |
27 | BUA | 0.521739 | 0.7 |
28 | ODD | 0.513514 | 0.869565 |
29 | BRC | 0.5 | 0.625 |
30 | 3LA | 0.5 | 0.76 |
31 | EIC | 0.487179 | 0.869565 |
32 | EOD | 0.487179 | 0.666667 |
33 | M12 | 0.484848 | 0.826087 |
34 | KAP | 0.470588 | 0.6 |
35 | 9J6 | 0.46875 | 0.692308 |
36 | OOA | 0.46875 | 0.791667 |
37 | 14V | 0.459459 | 0.703704 |
38 | BMJ | 0.444444 | 0.909091 |
39 | D0G | 0.444444 | 0.909091 |
40 | BNV | 0.444444 | 0.909091 |
41 | 14U | 0.444444 | 0.666667 |
42 | DNN | 0.444444 | 0.6 |
43 | RCL | 0.425532 | 0.8 |
44 | 5UF | 0.416667 | 0.769231 |
45 | HOC | 0.411765 | 0.8 |
46 | HXD | 0.405405 | 0.769231 |
47 | FTT | 0.405405 | 0.769231 |
48 | ODT | 0.404762 | 0.73913 |
49 | IKT | 0.4 | 0.62069 |
50 | ACD | 0.4 | 0.869565 |
This union binding pocket(no: 1) in the query (biounit: 5xna.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1ZDT | PEF | None |
2 | 4QJR | PIZ | None |
3 | 2UXI | G50 | None |
4 | 4OAR | 2S0 | None |
5 | 1SR7 | MOF | None |
6 | 2LBD | REA | None |
7 | 1FCZ | 156 | None |
8 | 5HVA | DUP | None |
9 | 2Z77 | HE7 | None |
10 | 5UGW | GSH | None |
11 | 4BQS | ADP | None |
12 | 4BQS | K2Q | None |
13 | 3R1V | AZB | None |
14 | 4J7U | YTZ | 1.38889 |
15 | 4J7U | NAP | 1.38889 |
16 | 1G2N | EPH | 1.44928 |
17 | 6AYI | C3G | 1.44928 |
18 | 2R40 | EPH | 2.17391 |
19 | 2AX9 | BHM | 2.17391 |
20 | 2P4Y | C03 | 2.17391 |
21 | 3V49 | PK0 | 2.17391 |
22 | 1UOU | CMU | 2.17391 |
23 | 2V1O | COA | 2.17391 |
24 | 4AZP | A9M | 2.89855 |
25 | 6AD9 | KK4 | 2.89855 |
26 | 4LPG | 1MV | 2.89855 |
27 | 1DTL | BEP | 2.89855 |
28 | 3KFC | 61X | 2.89855 |
29 | 1PZG | A3D | 2.89855 |
30 | 4DK7 | 0KS | 2.89855 |
31 | 5JF2 | SF7 | 2.89855 |
32 | 6F68 | GSH | 3.25203 |
33 | 6F68 | 4EU | 3.25203 |
34 | 5D48 | L96 | 3.62319 |
35 | 1YP0 | PEF | 3.62319 |
36 | 2Q2Y | MKR | 3.62319 |
37 | 2Q2Y | ADP | 3.62319 |
38 | 4Q9M | FPP | 3.62319 |
39 | 5EXW | 7DT | 3.62319 |
40 | 3IQE | F42 | 3.62319 |
41 | 4TWP | AXI | 3.62319 |
42 | 3PPM | JG1 | 3.62319 |
43 | 5EEH | SAH | 3.62319 |
44 | 4Q9M | 2ZW | 3.62319 |
45 | 5EKO | N17 | 3.62319 |
46 | 3IQE | H4M | 3.62319 |
47 | 5FP4 | YC8 | 3.62319 |
48 | 4D7M | TDC | 3.62319 |
49 | 2NNQ | T4B | 3.81679 |
50 | 3R9C | ECL | 4.34783 |
51 | 1O7Q | UDP | 4.34783 |
52 | 3SP6 | IL2 | 4.34783 |
53 | 3QM1 | ZYC | 4.34783 |
54 | 3KDU | NKS | 4.34783 |
55 | 5OBY | ANP | 4.34783 |
56 | 5O9X | G16 | 4.34783 |
57 | 1DB1 | VDX | 4.34783 |
58 | 4PJT | 2YQ | 4.34783 |
59 | 5EP2 | AZU | 4.34783 |
60 | 5UI2 | EQ3 | 4.34783 |
61 | 3C8Z | 5CA | 4.34783 |
62 | 4BFW | ZVW | 4.34783 |
63 | 1OLM | VTQ | 4.34783 |
64 | 2BHW | NEX | 4.34783 |
65 | 3FS1 | MYR | 4.34783 |
66 | 2JC9 | ADN | 4.34783 |
67 | 4QOM | PYG | 4.34783 |
68 | 1O6U | PLM | 4.34783 |
69 | 1ZGA | HMK | 4.34783 |
70 | 5MHB | PBG | 4.93827 |
71 | 1YMT | DR9 | 5.07246 |
72 | 2BUP | ATP | 5.07246 |
73 | 2BUP | ADP | 5.07246 |
74 | 2XCM | ADP | 5.07246 |
75 | 1MV8 | NAD | 5.07246 |
76 | 1MUU | NAD | 5.07246 |
77 | 5AZC | PGT | 5.07246 |
78 | 3COW | 52H | 5.07246 |
79 | 4ONA | UW1 | 5.07246 |
80 | 2F5T | MAL | 5.07246 |
81 | 2ZYJ | PGU | 5.07246 |
82 | 3ZDS | OMD | 5.07246 |
83 | 1W2D | 4IP | 5.07246 |
84 | 4IVG | ANP | 5.07246 |
85 | 5VN0 | NAI | 5.7971 |
86 | 1UDY | CS8 | 5.7971 |
87 | 3QCJ | NX4 | 5.7971 |
88 | 1BRW | URA | 5.7971 |
89 | 5DF1 | 58X | 5.7971 |
90 | 5DF1 | NAP | 5.7971 |
91 | 3KJS | DQ1 | 5.7971 |
92 | 2HPS | CTZ | 5.7971 |
93 | 1FCH | TYR GLN SER LYS LEU | 5.7971 |
94 | 5Z1N | PEF | 6.52174 |
95 | 1YYE | 196 | 6.52174 |
96 | 3EYK | EYK | 6.52174 |
97 | 1U3R | 338 | 6.52174 |
98 | 5FUS | DAO | 6.52174 |
99 | 6CB2 | OLC | 6.52174 |
100 | 2I0G | I0G | 6.52174 |
101 | 4J24 | EST | 6.52174 |
102 | 4QMN | DB8 | 6.52174 |
103 | 4J26 | EST | 6.52174 |
104 | 2H7C | COA | 6.52174 |
105 | 5KBF | CMP | 6.52174 |
106 | 2YJD | YJD | 6.52174 |
107 | 2E9L | PLM | 6.52174 |
108 | 5F3I | 5UJ | 6.52174 |
109 | 4H07 | IPH | 6.52174 |
110 | 1RQ2 | CIT | 6.52174 |
111 | 4F06 | PHB | 6.52174 |
112 | 4E2J | MOF | 7.24638 |
113 | 1XVB | BHL | 7.24638 |
114 | 1M2Z | DEX | 7.24638 |
115 | 4S15 | 4D8 | 7.24638 |
116 | 3BQD | DAY | 7.24638 |
117 | 3LN0 | 52B | 7.24638 |
118 | 5MLR | GRQ | 7.24638 |
119 | 2R2N | PMP | 7.24638 |
120 | 2R2N | KYN | 7.24638 |
121 | 5G5W | R8C | 7.24638 |
122 | 1ZPD | CIT | 7.24638 |
123 | 3HLX | PQQ | 7.24638 |
124 | 1UHK | CZN | 7.24638 |
125 | 3SAO | NKN | 7.24638 |
126 | 1KQW | RTL | 7.46269 |
127 | 2OO8 | RAJ | 7.88644 |
128 | 3EM0 | CHD | 7.97101 |
129 | 2BJ4 | OHT | 7.97101 |
130 | 3ZVS | MLI | 7.97101 |
131 | 5AAV | GW5 | 7.97101 |
132 | 4NM5 | ADP | 7.97101 |
133 | 1HG4 | LPP | 7.97101 |
134 | 2V7Y | ADP | 7.97101 |
135 | 5DX3 | EST | 7.97101 |
136 | 5FM0 | WAQ | 7.97101 |
137 | 1DZK | PRZ | 7.97101 |
138 | 5DXG | EST | 7.97101 |
139 | 5DXE | EST | 7.97101 |
140 | 2AEL | SAZ | 7.97101 |
141 | 5CXI | 5TW | 7.97101 |
142 | 5HYR | EST | 7.97101 |
143 | 3EKK | GS2 | 8.69565 |
144 | 1Y0G | 8PP | 8.69565 |
145 | 2YFB | SIN | 8.69565 |
146 | 1NOW | IFG | 8.69565 |
147 | 2VAT | COA | 8.69565 |
148 | 3KDJ | A8S | 8.69565 |
149 | 1NP0 | NGT | 8.69565 |
150 | 5UWA | 8ND | 8.69565 |
151 | 3H0A | 9RA | 8.69565 |
152 | 4LBP | 1WG | 9 |
153 | 2PRG | BRL | 9.09091 |
154 | 3ROE | THM | 9.42029 |
155 | 5DRB | 5FJ | 9.42029 |
156 | 1D5Z | ACE ALC ARG ALA ODA SER LEU NH2 | 9.42029 |
157 | 2P7Q | GG6 | 9.77444 |
158 | 4ORM | 2V6 | 10.1449 |
159 | 4ORM | ORO | 10.1449 |
160 | 4ORM | FMN | 10.1449 |
161 | 1TCO | FK5 | 10.1449 |
162 | 3RDE | OYP | 10.1449 |
163 | 3SCM | LGN | 10.1449 |
164 | 5AJP | UDP | 10.1449 |
165 | 5APK | 76E | 10.8696 |
166 | 5IXK | 6EW | 10.8696 |
167 | 3STD | MQ0 | 10.8696 |
168 | 5UC9 | MYR | 11.0619 |
169 | 5NTW | 98N | 11.5942 |
170 | 5AR0 | GB8 | 11.5942 |
171 | 5OBU | ANP | 11.5942 |
172 | 3RGA | ILD | 11.5942 |
173 | 3WCA | FPS | 11.5942 |
174 | 5HZ5 | 65X | 11.9403 |
175 | 1J78 | VDY | 12.3188 |
176 | 6G3R | ADP | 12.3188 |
177 | 4Q0A | 4OA | 12.3188 |
178 | 5XPL | 8C9 | 12.3188 |
179 | 2GCE | RFC | 13.0435 |
180 | 2GCE | SFC | 13.0435 |
181 | 2Q0D | ATP | 13.7681 |
182 | 1T0S | BML | 14.4928 |
183 | 5AG3 | 3EB | 14.4928 |
184 | 3ETG | GTP | 14.4928 |
185 | 3QUZ | QUV | 14.4928 |
186 | 2Q1H | AS4 | 14.4928 |
187 | 5W7B | PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR | 15.2174 |
188 | 4QGE | 35O | 15.2174 |
189 | 4P6X | HCY | 15.942 |
190 | 2DYR | PGV | 16.3265 |
191 | 2DYS | PGV | 16.3265 |
192 | 5Z84 | PEK | 16.3265 |
193 | 5ZCO | PGV | 16.3265 |
194 | 2DYS | PSC | 16.3265 |
195 | 5Z84 | PGV | 16.3265 |
196 | 5ZCO | TGL | 16.3265 |
197 | 2W9S | TOP | 16.6667 |
198 | 3RY9 | 1CA | 16.6667 |
199 | 5MWY | YNU | 17.3913 |
200 | 5L7G | 6QE | 17.3913 |
201 | 2A3I | C0R | 17.3913 |
202 | 5HCV | 60R | 17.3913 |
203 | 3D78 | NBB | 17.6471 |
204 | 2YAY | DUP | 18.8406 |
205 | 5ESO | ISC | 21.7391 |
206 | 5ESO | TDP | 21.7391 |
207 | 5UNJ | RJW | 22.4638 |
208 | 1YOK | P6L | 22.4638 |
209 | 1YUC | EPH | 22.4638 |
210 | 1ZDU | P3A | 22.4638 |
211 | 5BYK | OAQ | 22.4638 |
212 | 5BYK | A3P | 22.4638 |
213 | 1QY1 | PRZ | 24.1379 |
214 | 5V13 | JH3 | 28.2609 |
215 | 5JZI | LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL | 28.2609 |
216 | 4DL8 | UMP AF3 PO4 | 28.2609 |
217 | 5BVT | PAM | 30.597 |
218 | 3ET3 | ET1 | 31.25 |
219 | 3WBG | 2AN | 31.8841 |
220 | 1RDT | 570 | 32 |
221 | 1FM9 | 9CR | 32 |
222 | 1FM9 | 570 | 32 |
223 | 1RDT | L79 | 32 |
224 | 5HZ9 | 5M8 | 32.5926 |
225 | 2HFP | NSI | 38.0952 |
226 | 5LJB | RTL | 39.2593 |
227 | 2FR3 | REA | 40.146 |
228 | 1OPB | RET | 41.791 |
229 | 3OLL | EST | 42.1053 |
230 | 4QYN | RTL | 42.8571 |
231 | 1MDC | PLM | 43.1818 |
232 | 5BVS | EIC | 44.697 |
233 | 2QM9 | TDZ | 45.6522 |
234 | 2QO4 | CHD | 46.8254 |
235 | 1LFO | OLA | 47.6562 |
236 | 1FDQ | HXA | 48.0916 |
237 | 1VYF | OLA | 48.1481 |
238 | 2FTB | OLA | 49.6 |
239 | 1TW4 | CHD | 49.6 |