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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 1 families. | |||||
1 | 5YVT | Kd = 109 uM | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
2 | 6L59 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 5GRF | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 5GRI | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
5 | 6L57 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 5YVT | Kd = 109 uM | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAI | 1 | 1 |
2 | 0WD | 0.814815 | 0.986842 |
3 | NDP | 0.803738 | 0.986842 |
4 | AP0 | 0.743119 | 0.961039 |
5 | NMN AMP PO4 | 0.704348 | 0.960526 |
6 | NAX | 0.663717 | 0.961538 |
7 | A2D | 0.659574 | 0.933333 |
8 | 80F | 0.65 | 0.925926 |
9 | 6V0 | 0.649123 | 0.986842 |
10 | TXE | 0.62931 | 0.948052 |
11 | BA3 | 0.628866 | 0.933333 |
12 | AP5 | 0.622449 | 0.933333 |
13 | B4P | 0.622449 | 0.933333 |
14 | TXD | 0.62069 | 0.923077 |
15 | APR | 0.613861 | 0.907895 |
16 | AR6 | 0.613861 | 0.907895 |
17 | EAD | 0.609375 | 0.961538 |
18 | AGS | 0.607843 | 0.8625 |
19 | ADP | 0.606061 | 0.907895 |
20 | 50T | 0.60396 | 0.871795 |
21 | ATP | 0.60396 | 0.907895 |
22 | HEJ | 0.60396 | 0.907895 |
23 | AT4 | 0.6 | 0.873418 |
24 | AN2 | 0.6 | 0.896104 |
25 | A22 | 0.598131 | 0.921053 |
26 | 5FA | 0.598039 | 0.907895 |
27 | AQP | 0.598039 | 0.907895 |
28 | CA0 | 0.594059 | 0.909091 |
29 | M33 | 0.594059 | 0.896104 |
30 | AD9 | 0.592233 | 0.884615 |
31 | NAJ PZO | 0.592 | 0.935897 |
32 | P1H | 0.590909 | 0.9375 |
33 | ACP | 0.588235 | 0.884615 |
34 | KG4 | 0.588235 | 0.909091 |
35 | 4AD | 0.587156 | 0.886076 |
36 | A1R | 0.587156 | 0.851852 |
37 | PRX | 0.582524 | 0.8375 |
38 | ANP | 0.580952 | 0.884615 |
39 | 3OD | 0.580357 | 0.909091 |
40 | SRP | 0.579439 | 0.873418 |
41 | ADX | 0.578431 | 0.821429 |
42 | OAD | 0.576577 | 0.909091 |
43 | 5AL | 0.575472 | 0.896104 |
44 | HQG | 0.574074 | 0.896104 |
45 | NAJ PYZ | 0.573643 | 0.890244 |
46 | A3R | 0.572727 | 0.851852 |
47 | ADJ | 0.569106 | 0.890244 |
48 | 8LQ | 0.568807 | 0.873418 |
49 | UP5 | 0.566667 | 0.960526 |
50 | ACQ | 0.566038 | 0.884615 |
51 | 8LH | 0.564815 | 0.873418 |
52 | 9X8 | 0.5625 | 0.8625 |
53 | A | 0.561224 | 0.881579 |
54 | AMP | 0.561224 | 0.881579 |
55 | 8LE | 0.560748 | 0.8625 |
56 | ATF | 0.555556 | 0.873418 |
57 | QA7 | 0.554545 | 0.8625 |
58 | JNT | 0.553571 | 0.884615 |
59 | 6YZ | 0.550459 | 0.884615 |
60 | 8QN | 0.54955 | 0.896104 |
61 | 25L | 0.547826 | 0.921053 |
62 | 4TC | 0.544715 | 0.935897 |
63 | AMO | 0.544643 | 0.897436 |
64 | ADQ | 0.544643 | 0.909091 |
65 | PAJ | 0.544643 | 0.853659 |
66 | ABM | 0.544554 | 0.858974 |
67 | 45A | 0.544554 | 0.858974 |
68 | NPW | 0.544 | 0.949367 |
69 | LAD | 0.54386 | 0.831325 |
70 | PR8 | 0.54386 | 0.821429 |
71 | WAQ | 0.54386 | 0.851852 |
72 | DQV | 0.541667 | 0.946667 |
73 | DG1 | 0.541353 | 0.986842 |
74 | 1DG | 0.541353 | 0.986842 |
75 | AMP MG | 0.54 | 0.868421 |
76 | 00A | 0.539823 | 0.875 |
77 | NZQ | 0.539683 | 0.974026 |
78 | 1ZZ | 0.53913 | 0.811765 |
79 | BIS | 0.53913 | 0.851852 |
80 | APC | 0.537736 | 0.873418 |
81 | OMR | 0.536585 | 0.823529 |
82 | 25A | 0.535714 | 0.907895 |
83 | 5SV | 0.535714 | 0.797619 |
84 | OOB | 0.535714 | 0.921053 |
85 | 3UK | 0.535088 | 0.909091 |
86 | A12 | 0.533981 | 0.873418 |
87 | AP2 | 0.533981 | 0.873418 |
88 | B5V | 0.530435 | 0.897436 |
89 | DND | 0.528455 | 0.922078 |
90 | CNA | 0.527559 | 0.922078 |
91 | AHX | 0.526316 | 0.864198 |
92 | DLL | 0.526316 | 0.921053 |
93 | NB8 | 0.525862 | 0.864198 |
94 | ME8 | 0.525862 | 0.811765 |
95 | PTJ | 0.525862 | 0.841463 |
96 | FYA | 0.525862 | 0.871795 |
97 | KMQ | 0.525424 | 0.897436 |
98 | B5M | 0.525424 | 0.886076 |
99 | SRA | 0.524752 | 0.8375 |
100 | ADP MG | 0.52381 | 0.881579 |
101 | ADP BEF | 0.52381 | 0.881579 |
102 | SON | 0.52381 | 0.873418 |
103 | TAT | 0.522936 | 0.873418 |
104 | T99 | 0.522936 | 0.873418 |
105 | OZV | 0.522124 | 0.907895 |
106 | YLP | 0.520325 | 0.793103 |
107 | 48N | 0.520325 | 0.864198 |
108 | L3W | 0.52 | 0.973333 |
109 | YLB | 0.52 | 0.793103 |
110 | AU1 | 0.518868 | 0.884615 |
111 | ADP PO3 | 0.518519 | 0.881579 |
112 | ATP MG | 0.518519 | 0.881579 |
113 | V2G | 0.518182 | 0.841463 |
114 | 9SN | 0.516949 | 0.864198 |
115 | BEF ADP | 0.513761 | 0.858974 |
116 | DAL AMP | 0.513274 | 0.871795 |
117 | TXA | 0.512821 | 0.897436 |
118 | FA5 | 0.512605 | 0.897436 |
119 | B5Y | 0.512605 | 0.886076 |
120 | GAP | 0.509091 | 0.860759 |
121 | 9ZA | 0.508772 | 0.851852 |
122 | 9ZD | 0.508772 | 0.851852 |
123 | 4UU | 0.508197 | 0.960526 |
124 | YLC | 0.507937 | 0.833333 |
125 | T5A | 0.507812 | 0.925926 |
126 | RBY | 0.504587 | 0.873418 |
127 | APC MG | 0.504587 | 0.858974 |
128 | ADV | 0.504587 | 0.873418 |
129 | 4UW | 0.504 | 0.924051 |
130 | TXP | 0.503876 | 0.911392 |
131 | VO4 ADP | 0.5 | 0.860759 |
132 | LAQ | 0.5 | 0.811765 |
133 | TYM | 0.5 | 0.897436 |
134 | G3A | 0.5 | 0.8875 |
135 | F2R | 0.5 | 0.813953 |
136 | ANP MG | 0.5 | 0.871795 |
137 | ALF ADP | 0.5 | 0.817073 |
138 | COD | 0.496183 | 0.786517 |
139 | YLA | 0.496124 | 0.813953 |
140 | 139 | 0.496124 | 0.9125 |
141 | AFH | 0.495935 | 0.853659 |
142 | G5P | 0.495935 | 0.8875 |
143 | XAH | 0.495868 | 0.811765 |
144 | BT5 | 0.492424 | 0.784091 |
145 | AYB | 0.492308 | 0.784091 |
146 | A4P | 0.492188 | 0.880952 |
147 | GTA | 0.491935 | 0.855422 |
148 | 4UV | 0.491803 | 0.960526 |
149 | A2R | 0.491228 | 0.896104 |
150 | MAP | 0.486957 | 0.8625 |
151 | XNP | 0.484848 | 0.936709 |
152 | NAD | 0.484848 | 0.921053 |
153 | UPA | 0.484375 | 0.948052 |
154 | 7MD | 0.483871 | 0.833333 |
155 | ARG AMP | 0.483871 | 0.781609 |
156 | MYR AMP | 0.483333 | 0.790698 |
157 | NA7 | 0.483051 | 0.873418 |
158 | YLY | 0.477941 | 0.784091 |
159 | ATR | 0.477477 | 0.881579 |
160 | ALF ADP 3PG | 0.476562 | 0.809524 |
161 | AOC | 0.47619 | 0.792208 |
162 | ATP A | 0.47541 | 0.894737 |
163 | ATP A A A | 0.47541 | 0.894737 |
164 | BTX | 0.473684 | 0.793103 |
165 | NDP DTT | 0.472222 | 0.902439 |
166 | 5AS | 0.472222 | 0.736264 |
167 | GA7 | 0.472 | 0.873418 |
168 | LMS | 0.471154 | 0.77907 |
169 | NAQ | 0.471014 | 0.864198 |
170 | LEU LMS | 0.470588 | 0.709677 |
171 | ADP BMA | 0.470588 | 0.884615 |
172 | N0B | 0.467626 | 0.835294 |
173 | A3D | 0.466667 | 0.909091 |
174 | NJP | 0.466165 | 0.910256 |
175 | IOT | 0.465649 | 0.784091 |
176 | AF3 ADP 3PG | 0.465116 | 0.809524 |
177 | PAP | 0.464286 | 0.894737 |
178 | D4F | 0.463768 | 0.833333 |
179 | NAE | 0.463768 | 0.886076 |
180 | NAD TDB | 0.461538 | 0.907895 |
181 | NAD IBO | 0.461538 | 0.907895 |
182 | 7MC | 0.461538 | 0.813953 |
183 | H1Q | 0.459459 | 0.846154 |
184 | DZD | 0.459259 | 0.876543 |
185 | ZID | 0.457143 | 0.909091 |
186 | TAD | 0.456693 | 0.853659 |
187 | 2A5 | 0.455357 | 0.8375 |
188 | 62F | 0.453947 | 0.833333 |
189 | AHZ | 0.453125 | 0.790698 |
190 | FB0 | 0.452055 | 0.76087 |
191 | JB6 | 0.45082 | 0.851852 |
192 | 7D4 | 0.45045 | 0.825 |
193 | ITT | 0.45045 | 0.857143 |
194 | LPA AMP | 0.449612 | 0.790698 |
195 | G5A | 0.447368 | 0.755556 |
196 | M24 | 0.446043 | 0.843373 |
197 | AVV | 0.445378 | 0.841463 |
198 | NDC | 0.442177 | 0.864198 |
199 | NSS | 0.441667 | 0.775281 |
200 | 4TA | 0.441176 | 0.890244 |
201 | 54H | 0.440678 | 0.764045 |
202 | VMS | 0.440678 | 0.764045 |
203 | 7D3 | 0.440367 | 0.825 |
204 | 5CD | 0.44 | 0.753247 |
205 | PPS | 0.439655 | 0.8 |
206 | XYA | 0.438776 | 0.789474 |
207 | RAB | 0.438776 | 0.789474 |
208 | ADN | 0.438776 | 0.789474 |
209 | NDE | 0.438356 | 0.897436 |
210 | NVA LMS | 0.438017 | 0.731183 |
211 | AR6 AR6 | 0.4375 | 0.883117 |
212 | 8X1 | 0.436975 | 0.731183 |
213 | TSB | 0.436975 | 0.793103 |
214 | 53H | 0.436975 | 0.755556 |
215 | DTA | 0.436893 | 0.759494 |
216 | A3P | 0.436364 | 0.881579 |
217 | A2P | 0.436364 | 0.868421 |
218 | A5A | 0.435897 | 0.781609 |
219 | FNK | 0.435065 | 0.840909 |
220 | HFD | 0.434783 | 0.8625 |
221 | JSQ | 0.434783 | 0.8625 |
222 | ODP | 0.433824 | 0.924051 |
223 | SFG | 0.433628 | 0.725 |
224 | Z5A | 0.433566 | 0.858824 |
225 | 6FA | 0.433333 | 0.835294 |
226 | SSA | 0.432203 | 0.775281 |
227 | J7C | 0.431193 | 0.702381 |
228 | DTP | 0.431034 | 0.825 |
229 | P5A | 0.430894 | 0.723404 |
230 | AMP NAD | 0.430657 | 0.896104 |
231 | 5N5 | 0.43 | 0.766234 |
232 | DSZ | 0.429752 | 0.775281 |
233 | LSS | 0.429752 | 0.73913 |
234 | NO7 | 0.428571 | 0.873418 |
235 | 52H | 0.428571 | 0.755556 |
236 | SFD | 0.427632 | 0.731959 |
237 | 9K8 | 0.427419 | 0.712766 |
238 | 6AD | 0.42735 | 0.831325 |
239 | EP4 | 0.427184 | 0.707317 |
240 | FDA | 0.426667 | 0.870588 |
241 | ARU | 0.42623 | 0.788235 |
242 | 6RE | 0.425926 | 0.694118 |
243 | A4D | 0.425743 | 0.766234 |
244 | 5CA | 0.425 | 0.775281 |
245 | 3DH | 0.424528 | 0.725 |
246 | AV2 | 0.423729 | 0.835443 |
247 | AMP DBH | 0.421875 | 0.860759 |
248 | 5X8 | 0.421053 | 0.7375 |
249 | DAT | 0.421053 | 0.825 |
250 | GSU | 0.419355 | 0.755556 |
251 | MTA | 0.419048 | 0.725 |
252 | 3AT | 0.418803 | 0.883117 |
253 | ETB | 0.41844 | 0.786517 |
254 | DCA | 0.41844 | 0.777778 |
255 | FAS | 0.418301 | 0.845238 |
256 | FAD | 0.418301 | 0.845238 |
257 | A3N | 0.418182 | 0.759494 |
258 | K3K | 0.417323 | 0.797468 |
259 | F2N | 0.417178 | 0.850575 |
260 | 38V | 0.416667 | 0.855422 |
261 | 7D5 | 0.415094 | 0.8 |
262 | B1U | 0.414062 | 0.734043 |
263 | YSA | 0.414062 | 0.775281 |
264 | NAD BBN | 0.412903 | 0.835294 |
265 | 0T1 | 0.412587 | 0.777778 |
266 | 2AM | 0.411215 | 0.857143 |
267 | K3E | 0.410853 | 0.7875 |
268 | 9JJ | 0.409938 | 0.855422 |
269 | M2T | 0.409524 | 0.690476 |
270 | CUU | 0.408696 | 0.883117 |
271 | V47 | 0.408333 | 0.779221 |
272 | KAA | 0.408 | 0.731183 |
273 | 7C5 | 0.407692 | 0.790123 |
274 | 3AM | 0.407407 | 0.844156 |
275 | NAP | 0.406897 | 0.909091 |
276 | 8PZ | 0.40625 | 0.795455 |
277 | KOY | 0.406015 | 0.797468 |
278 | PUA | 0.405594 | 0.9 |
279 | FAY | 0.405063 | 0.855422 |
280 | P5F | 0.404908 | 0.83908 |
281 | EEM | 0.403361 | 0.670455 |
282 | COA | 0.402778 | 0.777778 |
283 | RFL | 0.402516 | 0.816092 |
284 | GJV | 0.401786 | 0.686047 |
285 | 6MZ | 0.401786 | 0.846154 |
286 | SA8 | 0.401709 | 0.686047 |
287 | WSA | 0.4 | 0.784091 |
This union binding pocket(no: 1) in the query (biounit: 5yvt.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5yvt.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6ADI | NDP | 23.0089 |
2 | 6ADI | NDP | 23.0089 |
3 | 4HCX | NDP | 24.4838 |
4 | 4HCX | NDP | 24.4838 |
5 | 4UMX | VVS | 26.8362 |
6 | 4UMX | NAP | 26.8362 |
7 | 4UMX | NAP | 26.8362 |
8 | 3FLK | NAI | 47.4926 |
9 | 3FLK | NAI | 47.4926 |
10 | 3FLK | NAI | 47.4926 |
11 | 3FLK | NAI | 47.4926 |