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- Biounit PDB : .ZIP | .CSV
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 2AA0 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
2 | 2A9Z | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 2ABS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
4 | 2A9Y | - | 26A | C12 H17 N5 O4 | CN(C)c1c2c.... |
5 | 1DGM | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
6 | 1LIJ | - | RPP | C10 H14 I N5 O4 | c1nc(c2c(n.... |
7 | 1LII | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
8 | 2AB8 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2AA0 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
2 | 2A9Z | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 2ABS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
4 | 2A9Y | - | 26A | C12 H17 N5 O4 | CN(C)c1c2c.... |
5 | 1DGM | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
6 | 1LIJ | - | RPP | C10 H14 I N5 O4 | c1nc(c2c(n.... |
7 | 1LII | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RAB | 1 | 1 |
2 | XYA | 1 | 1 |
3 | ADN | 1 | 1 |
4 | 5N5 | 0.811321 | 0.967742 |
5 | 5CD | 0.796296 | 0.920635 |
6 | A4D | 0.796296 | 0.967742 |
7 | MTA | 0.758621 | 0.878788 |
8 | EP4 | 0.754386 | 0.852941 |
9 | M2T | 0.741379 | 0.828571 |
10 | DTA | 0.741379 | 0.865672 |
11 | AMP | 0.709677 | 0.842857 |
12 | A | 0.709677 | 0.842857 |
13 | 3DH | 0.704918 | 0.878788 |
14 | ZAS | 0.68254 | 0.84058 |
15 | 5AD | 0.672727 | 0.854839 |
16 | SRA | 0.671875 | 0.797297 |
17 | AMP MG | 0.661538 | 0.819444 |
18 | DSH | 0.661538 | 0.842857 |
19 | AOC | 0.661538 | 0.907692 |
20 | A3N | 0.651515 | 0.923077 |
21 | A2D | 0.651515 | 0.84507 |
22 | ABM | 0.651515 | 0.819444 |
23 | ADP | 0.647059 | 0.84507 |
24 | S4M | 0.641791 | 0.766234 |
25 | 3AM | 0.640625 | 0.828571 |
26 | A12 | 0.632353 | 0.810811 |
27 | BA3 | 0.632353 | 0.84507 |
28 | AP2 | 0.632353 | 0.810811 |
29 | MAO | 0.632353 | 0.75641 |
30 | NOS | 0.631579 | 0.935484 |
31 | AP5 | 0.623188 | 0.84507 |
32 | B4P | 0.623188 | 0.84507 |
33 | 5AS | 0.623188 | 0.714286 |
34 | ATP | 0.619718 | 0.84507 |
35 | A7D | 0.614286 | 0.909091 |
36 | SON | 0.614286 | 0.786667 |
37 | AQP | 0.611111 | 0.84507 |
38 | 5FA | 0.611111 | 0.84507 |
39 | APC | 0.611111 | 0.810811 |
40 | 2FA | 0.606557 | 0.924242 |
41 | 26A | 0.606557 | 0.893939 |
42 | M33 | 0.605634 | 0.833333 |
43 | ADX | 0.605634 | 0.759494 |
44 | MHZ | 0.605634 | 0.75641 |
45 | ADP MG | 0.605634 | 0.808219 |
46 | CA0 | 0.605634 | 0.821918 |
47 | AU1 | 0.605634 | 0.821918 |
48 | AGS | 0.60274 | 0.8 |
49 | SAP | 0.60274 | 0.8 |
50 | AD9 | 0.60274 | 0.821918 |
51 | 2AM | 0.6 | 0.842857 |
52 | ADP BEF | 0.597222 | 0.786667 |
53 | 50T | 0.597222 | 0.833333 |
54 | BEF ADP | 0.597222 | 0.786667 |
55 | SFG | 0.597222 | 0.850746 |
56 | ACP | 0.597222 | 0.821918 |
57 | MTP | 0.590164 | 0.852941 |
58 | APR | 0.589041 | 0.84507 |
59 | AR6 | 0.589041 | 0.84507 |
60 | PRX | 0.589041 | 0.797297 |
61 | A3G | 0.588235 | 0.938462 |
62 | TAT | 0.586667 | 0.810811 |
63 | ACQ | 0.586667 | 0.821918 |
64 | A3P | 0.585714 | 0.816901 |
65 | A5D | 0.581081 | 0.865672 |
66 | RBY | 0.581081 | 0.810811 |
67 | SA8 | 0.581081 | 0.794521 |
68 | ADP PO3 | 0.581081 | 0.842857 |
69 | ADV | 0.581081 | 0.810811 |
70 | 1DA | 0.580645 | 1 |
71 | 6MD | 0.580645 | 0.952381 |
72 | ADQ | 0.575 | 0.847222 |
73 | OVE | 0.573529 | 0.808219 |
74 | ATP MG | 0.573333 | 0.808219 |
75 | SAI | 0.573333 | 0.828571 |
76 | G5A | 0.573333 | 0.714286 |
77 | SAH | 0.573333 | 0.84058 |
78 | A22 | 0.56962 | 0.833333 |
79 | SAM | 0.565789 | 0.773333 |
80 | GAP | 0.565789 | 0.821918 |
81 | ANP | 0.565789 | 0.821918 |
82 | NEC | 0.565217 | 0.876923 |
83 | 3AD | 0.564516 | 0.951613 |
84 | 25A | 0.5625 | 0.819444 |
85 | EEM | 0.558442 | 0.773333 |
86 | 5AL | 0.558442 | 0.808219 |
87 | AAT | 0.558442 | 0.819444 |
88 | ALF ADP | 0.551282 | 0.776316 |
89 | ADP ALF | 0.551282 | 0.776316 |
90 | A5A | 0.551282 | 0.719512 |
91 | ATF | 0.551282 | 0.810811 |
92 | CC5 | 0.55 | 0.935484 |
93 | A3S | 0.547945 | 0.953125 |
94 | SRP | 0.544304 | 0.810811 |
95 | SMM | 0.544304 | 0.74359 |
96 | SSA | 0.544304 | 0.73494 |
97 | ADP VO4 | 0.544304 | 0.808219 |
98 | ANP MG | 0.544304 | 0.776316 |
99 | S7M | 0.544304 | 0.773333 |
100 | QQX | 0.544118 | 0.756757 |
101 | ADP BMA | 0.542169 | 0.847222 |
102 | A2P | 0.541667 | 0.802817 |
103 | 3D1 | 0.539683 | 0.907692 |
104 | 3L1 | 0.539683 | 0.907692 |
105 | PAP | 0.539474 | 0.830986 |
106 | VMS | 0.5375 | 0.702381 |
107 | 52H | 0.5375 | 0.694118 |
108 | 54H | 0.5375 | 0.702381 |
109 | LSS | 0.536585 | 0.678161 |
110 | ACK | 0.536232 | 0.811594 |
111 | QQY | 0.536232 | 0.767123 |
112 | A3T | 0.533333 | 0.968254 |
113 | 53H | 0.530864 | 0.694118 |
114 | DAL AMP | 0.530864 | 0.808219 |
115 | 5CA | 0.530864 | 0.73494 |
116 | MAP | 0.530864 | 0.8 |
117 | TSB | 0.530864 | 0.731707 |
118 | GEK | 0.52439 | 0.805556 |
119 | OAD | 0.52381 | 0.821918 |
120 | 25L | 0.523256 | 0.833333 |
121 | PA7 | 0.520548 | 0.826087 |
122 | PPS | 0.518987 | 0.7375 |
123 | PAJ | 0.518072 | 0.792208 |
124 | NSS | 0.518072 | 0.714286 |
125 | DSZ | 0.518072 | 0.714286 |
126 | A1R | 0.518072 | 0.813333 |
127 | 4AD | 0.518072 | 0.8 |
128 | 0UM | 0.518072 | 0.808219 |
129 | AMO | 0.518072 | 0.810811 |
130 | 6CR | 0.515152 | 0.910448 |
131 | SP1 | 0.514286 | 0.77027 |
132 | RP1 | 0.514286 | 0.77027 |
133 | 2VA | 0.513158 | 0.938462 |
134 | 00A | 0.511905 | 0.766234 |
135 | NVA LMS | 0.511905 | 0.678161 |
136 | DLL | 0.511905 | 0.808219 |
137 | AHX | 0.511905 | 0.802632 |
138 | ME8 | 0.511628 | 0.728395 |
139 | 3OD | 0.511628 | 0.821918 |
140 | PTJ | 0.511628 | 0.75641 |
141 | V3L | 0.506329 | 0.819444 |
142 | LEU LMS | 0.505882 | 0.678161 |
143 | A6D | 0.505882 | 0.763158 |
144 | K15 | 0.505882 | 0.763158 |
145 | AD3 | 0.5 | 1 |
146 | GSU | 0.5 | 0.694118 |
147 | KAA | 0.5 | 0.689655 |
148 | P5A | 0.5 | 0.681818 |
149 | 2BA | 0.5 | 0.814286 |
150 | CMP | 0.5 | 0.826087 |
151 | LAD | 0.5 | 0.769231 |
152 | 5F1 | 0.5 | 0.80597 |
153 | NVA 2AD | 0.5 | 0.867647 |
154 | PR8 | 0.5 | 0.759494 |
155 | ATR | 0.5 | 0.816901 |
156 | ATP A A A | 0.494382 | 0.830986 |
157 | TXA | 0.494253 | 0.810811 |
158 | BIS | 0.494253 | 0.789474 |
159 | NB8 | 0.494253 | 0.779221 |
160 | FYA | 0.494253 | 0.808219 |
161 | 1ZZ | 0.494253 | 0.728395 |
162 | IVH | 0.493333 | 0.835616 |
163 | MYR AMP | 0.488636 | 0.728395 |
164 | 2A5 | 0.487179 | 0.797297 |
165 | NOC | 0.484375 | 0.903226 |
166 | A2R | 0.481928 | 0.833333 |
167 | YAP | 0.477778 | 0.776316 |
168 | FA5 | 0.477778 | 0.786667 |
169 | D3Y | 0.47619 | 0.924242 |
170 | AFH | 0.473118 | 0.792208 |
171 | AR6 AR6 | 0.473118 | 0.819444 |
172 | XAH | 0.472527 | 0.75 |
173 | YSA | 0.472527 | 0.694118 |
174 | TBN | 0.46875 | 0.983607 |
175 | 3BH | 0.46875 | 0.953125 |
176 | AMP DBH | 0.467391 | 0.821918 |
177 | 101 | 0.465753 | 0.780822 |
178 | LAQ | 0.463158 | 0.728395 |
179 | TO1 | 0.462687 | 0.952381 |
180 | G3A | 0.462366 | 0.779221 |
181 | UPA | 0.459184 | 0.813333 |
182 | LPA AMP | 0.458333 | 0.728395 |
183 | 7MD | 0.457447 | 0.772152 |
184 | G5P | 0.457447 | 0.779221 |
185 | A A A | 0.454545 | 0.808219 |
186 | 5ID | 0.454545 | 0.923077 |
187 | TAD | 0.452632 | 0.769231 |
188 | GTA | 0.452632 | 0.75 |
189 | KH3 | 0.452632 | 0.776316 |
190 | 3NZ | 0.449438 | 0.884058 |
191 | TYM | 0.44898 | 0.786667 |
192 | WSA | 0.44898 | 0.702381 |
193 | AHZ | 0.447917 | 0.728395 |
194 | 139 | 0.445545 | 0.782051 |
195 | YLP | 0.443299 | 0.731707 |
196 | ARJ | 0.441176 | 0.857143 |
197 | AFX | 0.441176 | 0.768116 |
198 | AV2 | 0.440476 | 0.77027 |
199 | DA | 0.44 | 0.756757 |
200 | D5M | 0.44 | 0.756757 |
201 | NXX | 0.438776 | 0.810811 |
202 | NAX | 0.438776 | 0.759494 |
203 | NAI | 0.438776 | 0.789474 |
204 | TXD | 0.438776 | 0.789474 |
205 | DND | 0.438776 | 0.810811 |
206 | UP5 | 0.438776 | 0.8 |
207 | PO4 PO4 A A A A PO4 | 0.438202 | 0.802817 |
208 | NA7 | 0.438202 | 0.810811 |
209 | MZR | 0.4375 | 0.859375 |
210 | V1N | 0.43617 | 0.819444 |
211 | HO4 | 0.434783 | 0.952381 |
212 | LA8 ALF 3PG | 0.434343 | 0.746835 |
213 | ALF ADP 3PG | 0.434343 | 0.746835 |
214 | AF3 ADP 3PG | 0.434343 | 0.746835 |
215 | IMO | 0.434211 | 0.777778 |
216 | 3AT | 0.433735 | 0.819444 |
217 | G A A A | 0.432692 | 0.779221 |
218 | YLB | 0.43 | 0.731707 |
219 | YLC | 0.43 | 0.75 |
220 | 7MC | 0.43 | 0.753086 |
221 | 4TC | 0.43 | 0.779221 |
222 | AP0 | 0.43 | 0.779221 |
223 | BS5 | 0.427184 | 0.674157 |
224 | A4P | 0.425743 | 0.73494 |
225 | IOT | 0.421569 | 0.722892 |
226 | DAT | 0.419753 | 0.76 |
227 | COD | 0.419048 | 0.72619 |
228 | YLA | 0.417476 | 0.731707 |
229 | T5A | 0.417476 | 0.731707 |
230 | ADJ | 0.417476 | 0.740741 |
231 | J1D | 0.415094 | 0.625 |
232 | 0XU | 0.414634 | 0.823529 |
233 | AYB | 0.413462 | 0.722892 |
234 | CNA | 0.413462 | 0.810811 |
235 | 103 | 0.413333 | 0.716216 |
236 | A U | 0.411765 | 0.8 |
237 | GMP | 0.410959 | 0.882353 |
238 | NAD IBO | 0.409524 | 0.776316 |
239 | GGZ | 0.409091 | 0.7125 |
240 | ITT | 0.407407 | 0.791667 |
241 | 4TA | 0.40566 | 0.719512 |
242 | BTX | 0.40566 | 0.710843 |
243 | NAD | 0.40566 | 0.808219 |
244 | SFB | 0.401961 | 0.709302 |
245 | BT5 | 0.401869 | 0.702381 |
246 | DZD | 0.401869 | 0.769231 |
247 | DTP | 0.4 | 0.76 |
This union binding pocket(no: 1) in the query (biounit: 2abs.bio1) has 40 residues | ||||
---|---|---|---|---|
No: | Leader PDB | Ligand | P-value (APoc) | PS_Score (APoc) |
1 | 1RKD | ADP | 0.000000000614 | 0.66781 |
2 | 1RKD | RIB | 0.0000000004249 | 0.6675 |
3 | 3NC9 | TR3 | 0.0000001697 | 0.52933 |
4 | 3CQD | ATP | 0.000001885 | 0.49656 |
5 | 2C49 | ANP | 0.000000008544 | 0.48974 |
6 | 4C5N | ACP | 0.0001215 | 0.48577 |
7 | 2VAR | ANP | 0.00000002747 | 0.47543 |
8 | 2JG1 | ANP | 0.00000006438 | 0.47052 |
9 | 4C5N | PXL | 0.000128 | 0.46988 |
10 | 4C5N | PXL | 0.00008406 | 0.46364 |
11 | 4C5N | ACP | 0.0001236 | 0.46052 |
12 | 4DZ1 | DAL | 0.006746 | 0.4593 |
13 | 2JG1 | ANP | 0.00000007413 | 0.45809 |
14 | 2HW1 | ANP | 0.0000002894 | 0.4524 |
15 | 2J5V | PCA | 0.0114 | 0.45004 |
16 | 1XL8 | 152 | 0.01438 | 0.44016 |
17 | 4OVZ | P85 | 0.01302 | 0.43715 |
18 | 1V1A | ADP | 0.0000007219 | 0.42929 |
19 | 4OVZ | P85 | 0.01728 | 0.42849 |
20 | 4AQ4 | G3P | 0.03306 | 0.4176 |
21 | 4H6B | 10X | 0.02099 | 0.41657 |
22 | 2CI5 | HCS | 0.03648 | 0.41497 |
23 | 4H6B | 10Y | 0.02698 | 0.41457 |
24 | 3ZJX | BOG | 0.03896 | 0.41455 |
25 | 4H6B | 10X | 0.02315 | 0.41439 |
26 | 1DZK | PRZ | 0.02023 | 0.41387 |
27 | 3B9Q | MLI | 0.02728 | 0.41371 |
28 | 4BG4 | ADP | 0.01481 | 0.41074 |
29 | 1DZK | PRZ | 0.02032 | 0.41045 |
30 | 4ADM | SRT | 0.03806 | 0.41032 |
31 | 4H6B | 10Y | 0.04207 | 0.40796 |
32 | 4WNB | 4BN | 0.01973 | 0.40789 |
33 | 4OOE | FOM | 0.02764 | 0.40707 |
34 | 1WB4 | SXX | 0.04715 | 0.40544 |
35 | 2JGV | ADP | 0.000001617 | 0.40398 |
36 | 4P4T | GDP | 0.02184 | 0.40279 |
37 | 2VAR | AMP | 0.0000003629 | 0.40041 |
38 | 3GQT | UFO | 0.04381 | 0.40011 |