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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 58 families. | |||||
1 | 1M6Y | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
2 | 1N2X | - | 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 51 families. | |||||
1 | 3TKA | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
2 | 1M6Y | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
3 | 1N2X | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
4 | 1WG8 | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SAM | 1 | 1 |
2 | SMM | 0.792683 | 0.96 |
3 | S4M | 0.6875 | 0.909091 |
4 | S7M | 0.670455 | 0.945946 |
5 | M2T | 0.636364 | 0.878378 |
6 | GEK | 0.612903 | 0.931507 |
7 | SAI | 0.571429 | 0.878378 |
8 | XYA | 0.565789 | 0.773333 |
9 | RAB | 0.565789 | 0.773333 |
10 | ADN | 0.565789 | 0.773333 |
11 | 5CD | 0.564103 | 0.783784 |
12 | EP4 | 0.5625 | 0.826667 |
13 | SA8 | 0.56044 | 0.945205 |
14 | 5X8 | 0.555556 | 0.888889 |
15 | SFG | 0.555556 | 0.875 |
16 | 5N5 | 0.551282 | 0.773333 |
17 | A4D | 0.544304 | 0.797297 |
18 | EEM | 0.542553 | 0.945946 |
19 | SAH | 0.537634 | 0.916667 |
20 | DTA | 0.536585 | 0.789474 |
21 | 62X | 0.535354 | 0.884615 |
22 | MTA | 0.53012 | 0.875 |
23 | 3DH | 0.517647 | 0.849315 |
24 | 5AL | 0.510417 | 0.743902 |
25 | VMS | 0.510204 | 0.673913 |
26 | 54H | 0.510204 | 0.673913 |
27 | 0UM | 0.51 | 0.857143 |
28 | A | 0.505747 | 0.707317 |
29 | AMP | 0.505747 | 0.707317 |
30 | LMS | 0.505747 | 0.666667 |
31 | ABM | 0.505618 | 0.753086 |
32 | 45A | 0.505618 | 0.753086 |
33 | A5A | 0.505155 | 0.688889 |
34 | SRP | 0.5 | 0.746988 |
35 | K15 | 0.5 | 0.883117 |
36 | SON | 0.5 | 0.746988 |
37 | 6RE | 0.5 | 0.78481 |
38 | SSA | 0.5 | 0.684783 |
39 | 5AD | 0.5 | 0.75 |
40 | LSS | 0.49505 | 0.706522 |
41 | CA0 | 0.494624 | 0.714286 |
42 | A12 | 0.494505 | 0.705882 |
43 | AP2 | 0.494505 | 0.705882 |
44 | ME8 | 0.490385 | 0.841463 |
45 | 53H | 0.49 | 0.666667 |
46 | 5CA | 0.49 | 0.684783 |
47 | DAL AMP | 0.49 | 0.765432 |
48 | TSB | 0.49 | 0.681319 |
49 | ACP | 0.489362 | 0.694118 |
50 | KG4 | 0.489362 | 0.714286 |
51 | 5AS | 0.48913 | 0.648936 |
52 | ADP | 0.48913 | 0.690476 |
53 | J7C | 0.488889 | 0.772152 |
54 | A2D | 0.488889 | 0.690476 |
55 | ZAS | 0.488636 | 0.769231 |
56 | 9ZA | 0.485149 | 0.729412 |
57 | 9ZD | 0.485149 | 0.729412 |
58 | 8QN | 0.485149 | 0.743902 |
59 | 8LH | 0.484848 | 0.746988 |
60 | GAP | 0.484536 | 0.73494 |
61 | AN2 | 0.483871 | 0.682353 |
62 | ADP MG | 0.483871 | 0.728395 |
63 | A7D | 0.483871 | 0.851351 |
64 | A3S | 0.483871 | 0.813333 |
65 | GJV | 0.483516 | 0.775 |
66 | SRA | 0.483146 | 0.694118 |
67 | KAA | 0.480769 | 0.698925 |
68 | LAD | 0.480769 | 0.752941 |
69 | GSU | 0.480769 | 0.722222 |
70 | DSZ | 0.480392 | 0.703297 |
71 | AMO | 0.480392 | 0.746988 |
72 | 52H | 0.48 | 0.666667 |
73 | 8LE | 0.479592 | 0.717647 |
74 | APC MG | 0.479167 | 0.731707 |
75 | M33 | 0.478723 | 0.722892 |
76 | MAO | 0.478261 | 0.82716 |
77 | BA3 | 0.478261 | 0.690476 |
78 | AOC | 0.477778 | 0.776316 |
79 | NEC | 0.477778 | 0.75 |
80 | DSH | 0.477778 | 0.842105 |
81 | SXZ | 0.47619 | 0.894737 |
82 | AHX | 0.475728 | 0.701149 |
83 | NVA LMS | 0.475728 | 0.736264 |
84 | Y3J | 0.47561 | 0.706667 |
85 | 8LQ | 0.475248 | 0.768293 |
86 | G5A | 0.474227 | 0.684783 |
87 | A3T | 0.473684 | 0.8 |
88 | AP5 | 0.473118 | 0.690476 |
89 | B4P | 0.473118 | 0.690476 |
90 | A3N | 0.472527 | 0.766234 |
91 | KB1 | 0.471698 | 0.833333 |
92 | APC | 0.46875 | 0.705882 |
93 | PRX | 0.46875 | 0.73494 |
94 | AT4 | 0.468085 | 0.686047 |
95 | PAJ | 0.466019 | 0.712644 |
96 | 4AD | 0.466019 | 0.759036 |
97 | ADP PO3 | 0.463918 | 0.728395 |
98 | RBY | 0.463918 | 0.72619 |
99 | ADV | 0.463918 | 0.72619 |
100 | ATP MG | 0.463918 | 0.728395 |
101 | MHZ | 0.463158 | 0.82716 |
102 | ADX | 0.463158 | 0.666667 |
103 | AU1 | 0.463158 | 0.674419 |
104 | YAP | 0.462963 | 0.738095 |
105 | TXA | 0.462264 | 0.72619 |
106 | NB8 | 0.462264 | 0.72093 |
107 | A3G | 0.461538 | 0.802632 |
108 | VRT | 0.459184 | 0.842105 |
109 | YSA | 0.458716 | 0.684783 |
110 | XAH | 0.458716 | 0.715909 |
111 | H1Q | 0.458333 | 0.719512 |
112 | 50T | 0.458333 | 0.682353 |
113 | HEJ | 0.458333 | 0.690476 |
114 | ATP | 0.458333 | 0.690476 |
115 | LEU LMS | 0.457143 | 0.717391 |
116 | 7D7 | 0.45679 | 0.723684 |
117 | KH3 | 0.455357 | 0.871795 |
118 | ACQ | 0.454545 | 0.694118 |
119 | AQP | 0.453608 | 0.690476 |
120 | AR6 | 0.453608 | 0.710843 |
121 | 5FA | 0.453608 | 0.690476 |
122 | APR | 0.453608 | 0.710843 |
123 | NSS | 0.451923 | 0.703297 |
124 | FA5 | 0.449541 | 0.746988 |
125 | A5D | 0.44898 | 0.789474 |
126 | AGS | 0.44898 | 0.678161 |
127 | SAP | 0.44898 | 0.678161 |
128 | AD9 | 0.44898 | 0.674419 |
129 | PTJ | 0.448598 | 0.72093 |
130 | YLB | 0.448276 | 0.758621 |
131 | YLP | 0.447368 | 0.738636 |
132 | OZP | 0.447368 | 0.844156 |
133 | 8X1 | 0.446602 | 0.680851 |
134 | D3Y | 0.446602 | 0.792208 |
135 | N5O | 0.445652 | 0.789474 |
136 | ADP ALF | 0.445545 | 0.678161 |
137 | ALF ADP | 0.445545 | 0.678161 |
138 | MYR AMP | 0.444444 | 0.776471 |
139 | 3AM | 0.444444 | 0.674699 |
140 | HY8 | 0.443478 | 0.822785 |
141 | OAD | 0.443396 | 0.73494 |
142 | 2VA | 0.443299 | 0.779221 |
143 | OOB | 0.442308 | 0.722892 |
144 | S8M | 0.442308 | 0.831169 |
145 | TYR AMP | 0.441441 | 0.759036 |
146 | 6YZ | 0.441176 | 0.694118 |
147 | VO4 ADP | 0.441176 | 0.702381 |
148 | ADP VO4 | 0.441176 | 0.702381 |
149 | ANP | 0.44 | 0.674419 |
150 | T99 | 0.44 | 0.686047 |
151 | TAT | 0.44 | 0.686047 |
152 | N37 | 0.439655 | 0.828947 |
153 | WAQ | 0.439252 | 0.75 |
154 | HZ2 | 0.438596 | 0.822785 |
155 | 8PZ | 0.436364 | 0.684783 |
156 | B5Y | 0.436364 | 0.717647 |
157 | N5A | 0.43617 | 0.786667 |
158 | F0P | 0.435897 | 0.844156 |
159 | YLC | 0.435897 | 0.755814 |
160 | AAT | 0.435644 | 0.797468 |
161 | 1ZZ | 0.435185 | 0.755814 |
162 | 9K8 | 0.435185 | 0.663158 |
163 | 3OD | 0.435185 | 0.73494 |
164 | NVA 2AD | 0.434343 | 0.855263 |
165 | 00A | 0.433962 | 0.689655 |
166 | DLL | 0.433962 | 0.722892 |
167 | ARG AMP | 0.433628 | 0.727273 |
168 | 7MD | 0.433628 | 0.715909 |
169 | ATF | 0.431373 | 0.666667 |
170 | SO8 | 0.43 | 0.792208 |
171 | 3UK | 0.429907 | 0.714286 |
172 | A6D | 0.429907 | 0.72619 |
173 | 9X8 | 0.429907 | 0.717647 |
174 | F2R | 0.429752 | 0.7 |
175 | AMP DBH | 0.428571 | 0.714286 |
176 | 5SV | 0.428571 | 0.741176 |
177 | OZV | 0.428571 | 0.690476 |
178 | TYM | 0.42735 | 0.746988 |
179 | WSA | 0.42735 | 0.692308 |
180 | 9SN | 0.427273 | 0.681818 |
181 | AHZ | 0.426087 | 0.755814 |
182 | P5A | 0.425926 | 0.691489 |
183 | J4G | 0.425926 | 0.759036 |
184 | PR8 | 0.425926 | 0.744186 |
185 | A A | 0.425926 | 0.710843 |
186 | 3NZ | 0.425926 | 0.807692 |
187 | B5V | 0.425926 | 0.705882 |
188 | A1R | 0.424528 | 0.709302 |
189 | 2A5 | 0.424242 | 0.674419 |
190 | 7MC | 0.423729 | 0.719101 |
191 | B5M | 0.423423 | 0.717647 |
192 | HQG | 0.423077 | 0.702381 |
193 | 7D5 | 0.422222 | 0.658824 |
194 | JB6 | 0.422018 | 0.709302 |
195 | FYA | 0.422018 | 0.722892 |
196 | AYB | 0.421488 | 0.75 |
197 | B1U | 0.419643 | 0.632653 |
198 | A22 | 0.419048 | 0.682353 |
199 | MAP | 0.419048 | 0.659091 |
200 | 2AM | 0.417582 | 0.666667 |
201 | TAD | 0.417391 | 0.712644 |
202 | ADP BMA | 0.416667 | 0.714286 |
203 | A3P | 0.416667 | 0.686747 |
204 | 25A | 0.415094 | 0.690476 |
205 | YLA | 0.413223 | 0.719101 |
206 | 8Q2 | 0.411765 | 0.663158 |
207 | ADQ | 0.411215 | 0.694118 |
208 | A3R | 0.411215 | 0.709302 |
209 | 48N | 0.410256 | 0.72093 |
210 | 0XU | 0.41 | 0.824324 |
211 | GA7 | 0.408696 | 0.72619 |
212 | 7D3 | 0.40625 | 0.643678 |
213 | PAP | 0.405941 | 0.678571 |
214 | DQV | 0.405172 | 0.702381 |
215 | OVE | 0.404255 | 0.662791 |
216 | 4UV | 0.403509 | 0.697674 |
217 | AF3 ADP 3PG | 0.403361 | 0.712644 |
218 | 3AD | 0.402299 | 0.783784 |
219 | CMP | 0.402062 | 0.691358 |
220 | 2BA | 0.402062 | 0.682927 |
221 | 7C5 | 0.4 | 0.731707 |
This union binding pocket(no: 1) in the query (biounit: 1n2x.bio2) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1n2x.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4POO | SAM | 19.5 |