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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 6 families. | |||||
1 | 4L2Z | - | S7M | C16 H25 N6 O5 S | CC[S+](CC[.... |
2 | 4L7I | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 4K0B | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4L2Z | - | S7M | C16 H25 N6 O5 S | CC[S+](CC[.... |
2 | 4L7I | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 4K0B | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
4 | 6S83 | - | MDN | C H6 O6 P2 | C(P(=O)(O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | S7M | 1 | 1 |
2 | SAM | 0.670455 | 0.945946 |
3 | EU9 | 0.656863 | 0.809524 |
4 | SMM | 0.648352 | 0.934211 |
5 | GEK | 0.62766 | 0.931507 |
6 | M2T | 0.6125 | 0.828947 |
7 | SA8 | 0.611111 | 0.893333 |
8 | EEM | 0.608696 | 0.894737 |
9 | SFG | 0.606742 | 0.875 |
10 | 5X8 | 0.588889 | 0.888889 |
11 | 0UM | 0.587629 | 0.857143 |
12 | SAI | 0.586957 | 0.878378 |
13 | SAH | 0.586957 | 0.916667 |
14 | S4M | 0.586207 | 0.884615 |
15 | 62X | 0.565657 | 0.860759 |
16 | K15 | 0.56 | 0.907895 |
17 | XYA | 0.544304 | 0.773333 |
18 | RAB | 0.544304 | 0.773333 |
19 | ADN | 0.544304 | 0.773333 |
20 | 5CD | 0.54321 | 0.783784 |
21 | A4D | 0.54321 | 0.797297 |
22 | EP4 | 0.542169 | 0.779221 |
23 | 3DH | 0.534884 | 0.875 |
24 | 5N5 | 0.530864 | 0.773333 |
25 | KH3 | 0.522936 | 0.896104 |
26 | HY8 | 0.522523 | 0.822785 |
27 | DTA | 0.517647 | 0.789474 |
28 | 6RE | 0.516854 | 0.78481 |
29 | KB1 | 0.514286 | 0.833333 |
30 | KYE | 0.514019 | 0.802469 |
31 | MTA | 0.511628 | 0.824324 |
32 | NEC | 0.511111 | 0.773333 |
33 | DSZ | 0.509804 | 0.703297 |
34 | KXW | 0.509091 | 0.844156 |
35 | 5AS | 0.505376 | 0.666667 |
36 | A5A | 0.50505 | 0.688889 |
37 | SXZ | 0.504762 | 0.87013 |
38 | HZ2 | 0.504505 | 0.822785 |
39 | SSA | 0.5 | 0.684783 |
40 | GJV | 0.5 | 0.775 |
41 | GSU | 0.495238 | 0.722222 |
42 | LSS | 0.495146 | 0.688172 |
43 | AMO | 0.495146 | 0.746988 |
44 | VMS | 0.49505 | 0.673913 |
45 | 54H | 0.49505 | 0.673913 |
46 | 5AL | 0.494949 | 0.743902 |
47 | NVA LMS | 0.490385 | 0.736264 |
48 | 53H | 0.490196 | 0.666667 |
49 | TSB | 0.490196 | 0.681319 |
50 | 5CA | 0.490196 | 0.684783 |
51 | QA7 | 0.490196 | 0.717647 |
52 | KG4 | 0.489583 | 0.714286 |
53 | ABM | 0.48913 | 0.731707 |
54 | J7C | 0.48913 | 0.772152 |
55 | 45A | 0.48913 | 0.731707 |
56 | LMS | 0.488889 | 0.666667 |
57 | A | 0.488889 | 0.707317 |
58 | AMP | 0.488889 | 0.707317 |
59 | NWW | 0.488095 | 0.739726 |
60 | OZP | 0.486726 | 0.844156 |
61 | 9ZA | 0.485437 | 0.709302 |
62 | 9ZD | 0.485437 | 0.709302 |
63 | SRP | 0.485149 | 0.746988 |
64 | A3S | 0.484211 | 0.813333 |
65 | AN2 | 0.484211 | 0.682353 |
66 | SON | 0.484211 | 0.746988 |
67 | AMP MG | 0.483516 | 0.7375 |
68 | NWQ | 0.483146 | 0.743243 |
69 | KAA | 0.481132 | 0.698925 |
70 | 4AD | 0.480769 | 0.759036 |
71 | NSS | 0.480769 | 0.703297 |
72 | 52H | 0.480392 | 0.666667 |
73 | V2G | 0.48 | 0.701149 |
74 | CA0 | 0.479167 | 0.714286 |
75 | AP2 | 0.478723 | 0.705882 |
76 | A12 | 0.478723 | 0.705882 |
77 | N5O | 0.478261 | 0.789474 |
78 | N37 | 0.478261 | 0.828947 |
79 | ME8 | 0.476636 | 0.797619 |
80 | TXA | 0.476636 | 0.72619 |
81 | NB8 | 0.476636 | 0.72093 |
82 | AHX | 0.47619 | 0.701149 |
83 | Y3J | 0.47619 | 0.706667 |
84 | 8LQ | 0.475728 | 0.746988 |
85 | G5A | 0.474747 | 0.684783 |
86 | VRT | 0.474747 | 0.842105 |
87 | A3T | 0.474227 | 0.8 |
88 | F0P | 0.474138 | 0.844156 |
89 | Q2M | 0.474138 | 0.846154 |
90 | A3N | 0.473118 | 0.766234 |
91 | A2D | 0.473118 | 0.690476 |
92 | ZAS | 0.472527 | 0.769231 |
93 | 8QN | 0.471154 | 0.743902 |
94 | 8LH | 0.470588 | 0.72619 |
95 | PRX | 0.469388 | 0.73494 |
96 | A7D | 0.46875 | 0.851351 |
97 | N5A | 0.468085 | 0.786667 |
98 | SRA | 0.467391 | 0.694118 |
99 | LAD | 0.46729 | 0.752941 |
100 | F2R | 0.466667 | 0.7 |
101 | TT8 | 0.466019 | 0.917808 |
102 | 8LE | 0.465347 | 0.717647 |
103 | MHZ | 0.463918 | 0.804878 |
104 | ADX | 0.463918 | 0.666667 |
105 | AU1 | 0.463918 | 0.674419 |
106 | M33 | 0.463918 | 0.702381 |
107 | 5AD | 0.463415 | 0.75 |
108 | MAO | 0.463158 | 0.783133 |
109 | BA3 | 0.463158 | 0.690476 |
110 | AOC | 0.462366 | 0.776316 |
111 | A3G | 0.462366 | 0.802632 |
112 | DSH | 0.462366 | 0.842105 |
113 | DAL AMP | 0.461538 | 0.765432 |
114 | Q34 | 0.461538 | 0.802469 |
115 | YLC | 0.461538 | 0.755814 |
116 | U4Y | 0.46087 | 0.88 |
117 | YLP | 0.46087 | 0.77907 |
118 | 7MD | 0.460177 | 0.715909 |
119 | SO8 | 0.46 | 0.792208 |
120 | XAH | 0.459459 | 0.715909 |
121 | YSA | 0.459459 | 0.684783 |
122 | 50T | 0.459184 | 0.682353 |
123 | ACP | 0.459184 | 0.694118 |
124 | AP5 | 0.458333 | 0.690476 |
125 | B4P | 0.458333 | 0.690476 |
126 | ADP | 0.458333 | 0.690476 |
127 | LEU LMS | 0.457944 | 0.733333 |
128 | V47 | 0.456311 | 0.810811 |
129 | GAP | 0.455446 | 0.73494 |
130 | APC | 0.454545 | 0.705882 |
131 | 0XU | 0.454545 | 0.824324 |
132 | J4G | 0.453704 | 0.759036 |
133 | WAQ | 0.453704 | 0.75 |
134 | ADP MG | 0.453608 | 0.728395 |
135 | ADP BEF | 0.453608 | 0.728395 |
136 | AT4 | 0.453608 | 0.686047 |
137 | PAJ | 0.45283 | 0.693182 |
138 | 8PZ | 0.45045 | 0.684783 |
139 | APC MG | 0.45 | 0.731707 |
140 | Q2V | 0.45 | 0.833333 |
141 | RBY | 0.45 | 0.72619 |
142 | AD9 | 0.45 | 0.674419 |
143 | ADV | 0.45 | 0.72619 |
144 | NVA 2AD | 0.45 | 0.855263 |
145 | PTJ | 0.449541 | 0.701149 |
146 | YLB | 0.449153 | 0.758621 |
147 | 7MC | 0.449153 | 0.738636 |
148 | D3Y | 0.447619 | 0.792208 |
149 | 8X1 | 0.447619 | 0.680851 |
150 | ARG AMP | 0.447368 | 0.727273 |
151 | ANP MG | 0.446602 | 0.702381 |
152 | 3AM | 0.445652 | 0.674699 |
153 | OAD | 0.444444 | 0.73494 |
154 | ATP | 0.444444 | 0.690476 |
155 | HEJ | 0.444444 | 0.690476 |
156 | 2VA | 0.444444 | 0.779221 |
157 | 5SV | 0.443396 | 0.761905 |
158 | QXP | 0.443396 | 0.67033 |
159 | ANP | 0.441176 | 0.674419 |
160 | ACQ | 0.441176 | 0.694118 |
161 | 7D7 | 0.440476 | 0.723684 |
162 | AQP | 0.44 | 0.690476 |
163 | 5FA | 0.44 | 0.690476 |
164 | APR | 0.44 | 0.710843 |
165 | AR6 | 0.44 | 0.710843 |
166 | Q2P | 0.439024 | 0.802469 |
167 | FA5 | 0.4375 | 0.746988 |
168 | 3OD | 0.436364 | 0.73494 |
169 | 9K8 | 0.436364 | 0.680851 |
170 | 1ZZ | 0.436364 | 0.776471 |
171 | A5D | 0.435644 | 0.789474 |
172 | AGS | 0.435644 | 0.678161 |
173 | ADP PO3 | 0.435644 | 0.728395 |
174 | ATP MG | 0.435644 | 0.728395 |
175 | DLL | 0.435185 | 0.722892 |
176 | 00A | 0.435185 | 0.689655 |
177 | 2AM | 0.434783 | 0.666667 |
178 | AYB | 0.434426 | 0.75 |
179 | A22 | 0.433962 | 0.682353 |
180 | KY2 | 0.433962 | 0.777778 |
181 | B1U | 0.433628 | 0.632653 |
182 | MYR AMP | 0.432432 | 0.797619 |
183 | 80F | 0.432 | 0.7 |
184 | BEF ADP | 0.431373 | 0.710843 |
185 | 9X8 | 0.431193 | 0.717647 |
186 | QXG | 0.431193 | 0.663043 |
187 | H1Q | 0.43 | 0.719512 |
188 | S8M | 0.429907 | 0.831169 |
189 | OOB | 0.429907 | 0.722892 |
190 | IOT | 0.429752 | 0.711111 |
191 | 6YZ | 0.428571 | 0.694118 |
192 | 3NZ | 0.427273 | 0.78481 |
193 | P5A | 0.427273 | 0.691489 |
194 | R2V | 0.427273 | 0.67033 |
195 | T99 | 0.427184 | 0.686047 |
196 | TAT | 0.427184 | 0.686047 |
197 | 8Q2 | 0.425 | 0.663158 |
198 | HQG | 0.424528 | 0.702381 |
199 | FYA | 0.423423 | 0.722892 |
200 | JB6 | 0.423423 | 0.709302 |
201 | AAT | 0.423077 | 0.797468 |
202 | MAP | 0.420561 | 0.659091 |
203 | KY5 | 0.419643 | 0.818182 |
204 | ATF | 0.419048 | 0.666667 |
205 | ALF ADP | 0.419048 | 0.678161 |
206 | VO4 ADP | 0.419048 | 0.694118 |
207 | A3P | 0.418367 | 0.686747 |
208 | 3UK | 0.418182 | 0.714286 |
209 | OMR | 0.416667 | 0.767442 |
210 | 25A | 0.416667 | 0.690476 |
211 | OZV | 0.416667 | 0.690476 |
212 | WSA | 0.416667 | 0.692308 |
213 | K38 | 0.415929 | 0.7375 |
214 | 9SN | 0.415929 | 0.681818 |
215 | YLA | 0.414634 | 0.719101 |
216 | PR8 | 0.414414 | 0.744186 |
217 | B5V | 0.414414 | 0.705882 |
218 | NX8 | 0.413462 | 0.807692 |
219 | A1R | 0.412844 | 0.709302 |
220 | KYB | 0.412844 | 0.777778 |
221 | B5M | 0.412281 | 0.717647 |
222 | B5Y | 0.412281 | 0.717647 |
223 | 48N | 0.411765 | 0.741176 |
224 | NWZ | 0.411765 | 0.794872 |
225 | BIS | 0.410714 | 0.670455 |
226 | SP1 | 0.410526 | 0.670588 |
227 | RP1 | 0.410526 | 0.670588 |
228 | JNT | 0.409091 | 0.694118 |
229 | K2W | 0.408696 | 0.7875 |
230 | K3H | 0.408696 | 0.731707 |
231 | 7D5 | 0.408602 | 0.658824 |
232 | 4YB | 0.40678 | 0.706522 |
233 | DQV | 0.40678 | 0.702381 |
234 | OVE | 0.40625 | 0.662791 |
235 | A6D | 0.405405 | 0.72619 |
236 | TYM | 0.404959 | 0.746988 |
237 | 649 | 0.404959 | 0.691489 |
238 | A2P | 0.40404 | 0.674699 |
239 | K2K | 0.401786 | 0.807692 |
240 | KY8 | 0.401786 | 0.797468 |
241 | 7C5 | 0.401709 | 0.731707 |
242 | KMQ | 0.4 | 0.72619 |
243 | ADQ | 0.4 | 0.694118 |
244 | YLY | 0.4 | 0.770115 |
245 | A3R | 0.4 | 0.709302 |
246 | 6MD | 0.4 | 0.763158 |
247 | K3K | 0.4 | 0.7375 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4l7i.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4l7i.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |