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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4K9R | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
2 | 4FHE | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
3 | 4RH0 | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
4 | 4FHG | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
5 | 4FHC | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
6 | 4FHF | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
7 | 4FHD | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4K9R | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
2 | 4FHE | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
3 | 4RH0 | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
4 | 4FHG | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
5 | 4FHC | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
6 | 4FHF | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
7 | 4FHD | - | EEM | C15 H23 N6 O5 Se | C[Se@@+](C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EEM | 1 | 1 |
2 | SA8 | 0.625 | 0.945205 |
3 | SFG | 0.62069 | 0.875 |
4 | SAH | 0.617977 | 0.890411 |
5 | S7M | 0.608696 | 0.894737 |
6 | 5X8 | 0.602273 | 0.863014 |
7 | SAI | 0.6 | 0.930556 |
8 | 0UM | 0.583333 | 0.857143 |
9 | 62X | 0.561224 | 0.884615 |
10 | ADN | 0.558442 | 0.773333 |
11 | XYA | 0.558442 | 0.773333 |
12 | RAB | 0.558442 | 0.773333 |
13 | SMM | 0.557895 | 0.909091 |
14 | 5CD | 0.556962 | 0.783784 |
15 | K15 | 0.555556 | 0.883117 |
16 | DTA | 0.548781 | 0.766234 |
17 | M2T | 0.548781 | 0.828947 |
18 | 5N5 | 0.544304 | 0.773333 |
19 | SAM | 0.542553 | 0.945946 |
20 | MTA | 0.542169 | 0.849315 |
21 | A4D | 0.5375 | 0.773333 |
22 | EP4 | 0.536585 | 0.826667 |
23 | 3DH | 0.529412 | 0.824324 |
24 | KB1 | 0.524272 | 0.833333 |
25 | 5AL | 0.520833 | 0.743902 |
26 | AMO | 0.52 | 0.746988 |
27 | ME8 | 0.514563 | 0.819277 |
28 | 6RE | 0.511364 | 0.78481 |
29 | A3S | 0.51087 | 0.813333 |
30 | SRP | 0.510204 | 0.746988 |
31 | KYE | 0.509434 | 0.802469 |
32 | DSZ | 0.504951 | 0.666667 |
33 | KH3 | 0.504587 | 0.871795 |
34 | KXW | 0.504587 | 0.844156 |
35 | NWW | 0.5 | 0.739726 |
36 | A | 0.5 | 0.707317 |
37 | KG4 | 0.5 | 0.714286 |
38 | ABM | 0.5 | 0.753086 |
39 | 45A | 0.5 | 0.753086 |
40 | LMS | 0.5 | 0.630435 |
41 | 5CA | 0.5 | 0.648936 |
42 | AMP | 0.5 | 0.707317 |
43 | SXZ | 0.5 | 0.87013 |
44 | ZAS | 0.5 | 0.769231 |
45 | A5A | 0.5 | 0.652174 |
46 | Q2M | 0.495575 | 0.822785 |
47 | 8QN | 0.49505 | 0.743902 |
48 | SSA | 0.494949 | 0.648936 |
49 | 8LH | 0.494949 | 0.746988 |
50 | SON | 0.494624 | 0.746988 |
51 | AN2 | 0.494624 | 0.682353 |
52 | A7D | 0.494624 | 0.826667 |
53 | GJV | 0.494505 | 0.775 |
54 | S4M | 0.494505 | 0.860759 |
55 | AMP MG | 0.494382 | 0.7375 |
56 | EU9 | 0.491071 | 0.767442 |
57 | GSU | 0.490385 | 0.684783 |
58 | LAD | 0.490385 | 0.752941 |
59 | PAJ | 0.490196 | 0.712644 |
60 | LSS | 0.490196 | 0.670213 |
61 | 54H | 0.49 | 0.638298 |
62 | VMS | 0.49 | 0.638298 |
63 | 8LE | 0.489796 | 0.717647 |
64 | CA0 | 0.489362 | 0.714286 |
65 | MAO | 0.48913 | 0.82716 |
66 | DSH | 0.488889 | 0.818182 |
67 | HZ2 | 0.486486 | 0.822785 |
68 | DAL AMP | 0.485149 | 0.765432 |
69 | 8LQ | 0.485149 | 0.768293 |
70 | 53H | 0.485149 | 0.631579 |
71 | TSB | 0.485149 | 0.645161 |
72 | G5A | 0.484536 | 0.648936 |
73 | A3T | 0.484211 | 0.8 |
74 | 5AS | 0.483871 | 0.614583 |
75 | J7C | 0.483516 | 0.772152 |
76 | A2D | 0.483516 | 0.690476 |
77 | OZP | 0.482143 | 0.844156 |
78 | GEK | 0.480392 | 0.88 |
79 | 9ZA | 0.480392 | 0.729412 |
80 | 9ZD | 0.480392 | 0.729412 |
81 | V47 | 0.48 | 0.810811 |
82 | 0XU | 0.479167 | 0.824324 |
83 | HY8 | 0.477876 | 0.822785 |
84 | SRA | 0.477778 | 0.674419 |
85 | KAA | 0.47619 | 0.663158 |
86 | 52H | 0.475248 | 0.631579 |
87 | 5AD | 0.475 | 0.75 |
88 | V2G | 0.474747 | 0.701149 |
89 | M33 | 0.473684 | 0.722892 |
90 | N37 | 0.473684 | 0.828947 |
91 | ADX | 0.473684 | 0.630435 |
92 | A12 | 0.473118 | 0.705882 |
93 | AP2 | 0.473118 | 0.705882 |
94 | BA3 | 0.473118 | 0.690476 |
95 | NEC | 0.472527 | 0.75 |
96 | A3G | 0.472527 | 0.802632 |
97 | AOC | 0.472527 | 0.776316 |
98 | PTJ | 0.471698 | 0.72093 |
99 | NB8 | 0.471698 | 0.72093 |
100 | TXA | 0.471698 | 0.72619 |
101 | AHX | 0.471154 | 0.701149 |
102 | NVA LMS | 0.471154 | 0.698925 |
103 | QA7 | 0.470588 | 0.738095 |
104 | Y3J | 0.46988 | 0.706667 |
105 | F0P | 0.469565 | 0.844156 |
106 | Q34 | 0.469565 | 0.802469 |
107 | 50T | 0.46875 | 0.702381 |
108 | AP5 | 0.468085 | 0.690476 |
109 | ADP | 0.468085 | 0.690476 |
110 | B4P | 0.468085 | 0.690476 |
111 | A3N | 0.467391 | 0.766234 |
112 | LEU LMS | 0.466667 | 0.714286 |
113 | GAP | 0.464646 | 0.73494 |
114 | PRX | 0.463918 | 0.73494 |
115 | AT4 | 0.463158 | 0.666667 |
116 | ADP MG | 0.463158 | 0.728395 |
117 | ADP BEF | 0.463158 | 0.728395 |
118 | F2R | 0.462185 | 0.7 |
119 | 4AD | 0.461538 | 0.759036 |
120 | NWQ | 0.460674 | 0.767123 |
121 | AAT | 0.46 | 0.775 |
122 | AD9 | 0.459184 | 0.694118 |
123 | A5D | 0.459184 | 0.766234 |
124 | FA5 | 0.458716 | 0.746988 |
125 | MHZ | 0.458333 | 0.82716 |
126 | AU1 | 0.458333 | 0.674419 |
127 | 9K8 | 0.457944 | 0.628866 |
128 | Q2V | 0.457627 | 0.833333 |
129 | YLC | 0.456897 | 0.755814 |
130 | YLB | 0.456897 | 0.758621 |
131 | YLP | 0.45614 | 0.738636 |
132 | U4Y | 0.45614 | 0.855263 |
133 | 3AM | 0.455556 | 0.674699 |
134 | 7MD | 0.455357 | 0.715909 |
135 | VRT | 0.454545 | 0.842105 |
136 | XAH | 0.454545 | 0.715909 |
137 | ATP | 0.453608 | 0.690476 |
138 | HEJ | 0.453608 | 0.690476 |
139 | H1Q | 0.453608 | 0.740741 |
140 | ACP | 0.453608 | 0.694118 |
141 | S8M | 0.451923 | 0.807692 |
142 | 7D7 | 0.451219 | 0.723684 |
143 | AR6 | 0.44898 | 0.710843 |
144 | APC | 0.44898 | 0.705882 |
145 | 5FA | 0.44898 | 0.690476 |
146 | APR | 0.44898 | 0.710843 |
147 | AQP | 0.44898 | 0.690476 |
148 | WAQ | 0.448598 | 0.75 |
149 | 3NZ | 0.448598 | 0.807692 |
150 | NSS | 0.447619 | 0.666667 |
151 | TT8 | 0.446602 | 0.917808 |
152 | Q2P | 0.446281 | 0.802469 |
153 | ATP MG | 0.444444 | 0.728395 |
154 | AGS | 0.444444 | 0.659091 |
155 | APC MG | 0.444444 | 0.731707 |
156 | ADV | 0.444444 | 0.72619 |
157 | RBY | 0.444444 | 0.72619 |
158 | ADP PO3 | 0.444444 | 0.728395 |
159 | 00A | 0.443396 | 0.689655 |
160 | ARG AMP | 0.442478 | 0.727273 |
161 | D3Y | 0.442308 | 0.792208 |
162 | 8X1 | 0.442308 | 0.645833 |
163 | YSA | 0.441441 | 0.648936 |
164 | N5O | 0.44086 | 0.789474 |
165 | BEF ADP | 0.44 | 0.731707 |
166 | 3UK | 0.439252 | 0.714286 |
167 | OAD | 0.439252 | 0.73494 |
168 | 80F | 0.439024 | 0.681319 |
169 | 2VA | 0.438776 | 0.779221 |
170 | QXP | 0.438095 | 0.634409 |
171 | 5SV | 0.438095 | 0.741176 |
172 | OOB | 0.438095 | 0.722892 |
173 | IOT | 0.436975 | 0.711111 |
174 | 9SN | 0.436364 | 0.681818 |
175 | TAT | 0.435644 | 0.666667 |
176 | ANP | 0.435644 | 0.674419 |
177 | ACQ | 0.435644 | 0.694118 |
178 | T99 | 0.435644 | 0.666667 |
179 | R2V | 0.435185 | 0.634409 |
180 | B5V | 0.435185 | 0.705882 |
181 | J4G | 0.435185 | 0.759036 |
182 | A1R | 0.433962 | 0.709302 |
183 | HQG | 0.432692 | 0.702381 |
184 | B5M | 0.432432 | 0.717647 |
185 | B5Y | 0.432432 | 0.717647 |
186 | 8PZ | 0.432432 | 0.648936 |
187 | N5A | 0.431579 | 0.786667 |
188 | BIS | 0.431193 | 0.670455 |
189 | 1ZZ | 0.431193 | 0.755814 |
190 | 3OD | 0.431193 | 0.73494 |
191 | 48N | 0.431034 | 0.72093 |
192 | NVA 2AD | 0.43 | 0.855263 |
193 | DLL | 0.429907 | 0.722892 |
194 | AYB | 0.429752 | 0.75 |
195 | A22 | 0.428571 | 0.682353 |
196 | MAP | 0.428571 | 0.678161 |
197 | 2AM | 0.428571 | 0.666667 |
198 | MYR AMP | 0.427273 | 0.776471 |
199 | VO4 ADP | 0.427184 | 0.714286 |
200 | ATF | 0.427184 | 0.666667 |
201 | ANP MG | 0.427184 | 0.702381 |
202 | ALF ADP | 0.427184 | 0.697674 |
203 | A3P | 0.427083 | 0.686747 |
204 | A6D | 0.425926 | 0.705882 |
205 | QXG | 0.425926 | 0.62766 |
206 | 9X8 | 0.425926 | 0.697674 |
207 | SO8 | 0.425743 | 0.792208 |
208 | TYM | 0.423729 | 0.746988 |
209 | 6YZ | 0.423077 | 0.694118 |
210 | P5A | 0.422018 | 0.65625 |
211 | PR8 | 0.422018 | 0.744186 |
212 | YLA | 0.421488 | 0.719101 |
213 | 7C5 | 0.421053 | 0.731707 |
214 | A3R | 0.420561 | 0.709302 |
215 | RP1 | 0.419355 | 0.651163 |
216 | SP1 | 0.419355 | 0.651163 |
217 | FYA | 0.418182 | 0.722892 |
218 | 7D5 | 0.417582 | 0.658824 |
219 | JNT | 0.416667 | 0.694118 |
220 | K2H | 0.416667 | 0.805195 |
221 | KY2 | 0.415094 | 0.777778 |
222 | KY5 | 0.414414 | 0.818182 |
223 | 4YB | 0.413793 | 0.670213 |
224 | 2BA | 0.412371 | 0.682927 |
225 | CMP | 0.412371 | 0.691358 |
226 | WSA | 0.411765 | 0.655914 |
227 | OZV | 0.411215 | 0.690476 |
228 | 25A | 0.411215 | 0.690476 |
229 | AHZ | 0.410256 | 0.735632 |
230 | K2K | 0.409091 | 0.807692 |
231 | 7MC | 0.408333 | 0.719101 |
232 | KYB | 0.407407 | 0.777778 |
233 | ADQ | 0.407407 | 0.694118 |
234 | YLY | 0.40625 | 0.770115 |
235 | JB6 | 0.405405 | 0.689655 |
236 | QQY | 0.404255 | 0.627907 |
237 | PPS | 0.403846 | 0.612903 |
238 | B1U | 0.403509 | 0.6 |
239 | K3H | 0.403509 | 0.775 |
240 | NAI | 0.403361 | 0.670455 |
241 | PAP | 0.401961 | 0.678571 |
242 | TAD | 0.401709 | 0.693182 |
243 | DQV | 0.401709 | 0.702381 |
244 | OVE | 0.4 | 0.643678 |
245 | ADP BMA | 0.4 | 0.714286 |
246 | 4UV | 0.4 | 0.697674 |
247 | ALF ADP 3PG | 0.4 | 0.732558 |
248 | OMR | 0.4 | 0.747126 |
249 | AF3 ADP 3PG | 0.4 | 0.732558 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4fhd.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4fhd.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |