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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 2 families. | |||||
1 | 2P2J | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
2 | 2P20 | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
3 | 1PG4 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
4 | 2P2B | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
5 | 2P2M | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
6 | 2P2Q | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
7 | 1PG3 | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2P2J | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
2 | 2P20 | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
3 | 1PG4 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
4 | 2P2B | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
5 | 2P2M | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
6 | 2P2Q | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
7 | 1PG3 | - | PRX | C13 H20 N5 O7 P | CCCO[P@@](.... |
8 | 1RY2 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | COA | 1 | 1 |
2 | 0T1 | 0.894737 | 0.976744 |
3 | DCA | 0.893805 | 0.954023 |
4 | COS | 0.887931 | 0.977012 |
5 | ETB | 0.877193 | 0.920455 |
6 | 30N | 0.871795 | 0.913979 |
7 | CAO | 0.871795 | 0.965909 |
8 | AMX | 0.871795 | 0.988235 |
9 | SCO | 0.864407 | 0.976744 |
10 | CMX | 0.864407 | 0.976744 |
11 | ACO | 0.857143 | 0.965909 |
12 | FCX | 0.857143 | 0.94382 |
13 | FAM | 0.857143 | 0.954545 |
14 | HAX | 0.85 | 0.954545 |
15 | FYN | 0.842975 | 1 |
16 | 3KK | 0.842975 | 0.977012 |
17 | OXK | 0.836066 | 0.977012 |
18 | KGP | 0.836066 | 0.885417 |
19 | SOP | 0.836066 | 0.977012 |
20 | YZS | 0.836066 | 0.885417 |
21 | COK | 0.836066 | 0.977012 |
22 | MCD | 0.836066 | 0.954545 |
23 | CA6 | 0.836066 | 0.885417 |
24 | 1VU | 0.829268 | 0.965909 |
25 | CMC | 0.829268 | 0.977012 |
26 | CO6 | 0.829268 | 0.977012 |
27 | NMX | 0.829268 | 0.903226 |
28 | CAJ | 0.822581 | 0.954545 |
29 | 2MC | 0.822581 | 0.934066 |
30 | SCD | 0.822581 | 0.976744 |
31 | 2CP | 0.81746 | 0.965909 |
32 | 3HC | 0.816 | 0.988372 |
33 | KGJ | 0.816 | 0.893617 |
34 | A1S | 0.816 | 0.977012 |
35 | MLC | 0.816 | 0.977012 |
36 | BCO | 0.816 | 0.977012 |
37 | IVC | 0.816 | 0.988372 |
38 | 1HE | 0.816 | 0.955056 |
39 | COD | 0.810345 | 0.988235 |
40 | CAA | 0.809524 | 0.988372 |
41 | MCA | 0.809524 | 0.965909 |
42 | SO5 | 0.809524 | 0.876289 |
43 | YE1 | 0.809524 | 0.965517 |
44 | COO | 0.809524 | 0.977012 |
45 | LCV | 0.809524 | 0.876289 |
46 | YXS | 0.80315 | 0.885417 |
47 | MC4 | 0.80315 | 0.923913 |
48 | YXR | 0.80315 | 0.885417 |
49 | SCA | 0.80315 | 0.977012 |
50 | KGA | 0.796875 | 0.884211 |
51 | HGG | 0.796875 | 0.977012 |
52 | BYC | 0.796875 | 0.977012 |
53 | 3CP | 0.796875 | 0.977012 |
54 | COW | 0.796875 | 0.965909 |
55 | CA8 | 0.796875 | 0.885417 |
56 | 1GZ | 0.796875 | 0.965909 |
57 | KFV | 0.796875 | 0.894737 |
58 | IRC | 0.796875 | 0.988372 |
59 | COF | 0.796875 | 0.955056 |
60 | 2KQ | 0.796875 | 0.955056 |
61 | 4CA | 0.790698 | 0.965909 |
62 | FAQ | 0.790698 | 0.977012 |
63 | BCA | 0.790698 | 0.965909 |
64 | HXC | 0.784615 | 0.955056 |
65 | GRA | 0.784615 | 0.977012 |
66 | 1CV | 0.781955 | 0.977012 |
67 | TGC | 0.778626 | 0.965909 |
68 | 1CZ | 0.772727 | 0.965909 |
69 | S0N | 0.772727 | 0.954545 |
70 | CO8 | 0.772727 | 0.955056 |
71 | 2NE | 0.772727 | 0.955056 |
72 | CIC | 0.772727 | 0.977012 |
73 | MYA | 0.766917 | 0.955056 |
74 | 0FQ | 0.766917 | 0.977012 |
75 | DCC | 0.766917 | 0.955056 |
76 | 5F9 | 0.766917 | 0.955056 |
77 | UCC | 0.766917 | 0.955056 |
78 | MFK | 0.766917 | 0.955056 |
79 | ST9 | 0.766917 | 0.955056 |
80 | 4CO | 0.766917 | 0.965909 |
81 | 01A | 0.761194 | 0.934066 |
82 | 0ET | 0.761194 | 0.955056 |
83 | CS8 | 0.755556 | 0.944444 |
84 | WCA | 0.755556 | 0.955056 |
85 | NHW | 0.75 | 0.955056 |
86 | HDC | 0.75 | 0.955056 |
87 | NHM | 0.75 | 0.955056 |
88 | 4KX | 0.75 | 0.944444 |
89 | UOQ | 0.75 | 0.955056 |
90 | HFQ | 0.744526 | 0.955056 |
91 | MRS | 0.744526 | 0.955056 |
92 | MRR | 0.744526 | 0.955056 |
93 | J5H | 0.73913 | 0.977012 |
94 | YNC | 0.73913 | 0.965909 |
95 | DAK | 0.73913 | 0.944444 |
96 | COA FLC | 0.736 | 0.965116 |
97 | 8Z2 | 0.733813 | 0.944444 |
98 | NHQ | 0.723404 | 0.988372 |
99 | F8G | 0.715278 | 0.913979 |
100 | 1HA | 0.713287 | 0.955056 |
101 | 01K | 0.708333 | 0.977012 |
102 | COT | 0.703448 | 0.977012 |
103 | CCQ | 0.695652 | 0.934066 |
104 | CA3 | 0.693878 | 0.977012 |
105 | 7L1 | 0.692308 | 0.965909 |
106 | RMW | 0.682119 | 0.955056 |
107 | CA5 | 0.671053 | 0.934066 |
108 | 93P | 0.666667 | 0.965909 |
109 | UCA | 0.666667 | 0.955056 |
110 | CO7 | 0.664234 | 0.977012 |
111 | N9V | 0.647887 | 0.922222 |
112 | 93M | 0.64557 | 0.965909 |
113 | OXT | 0.634146 | 0.913979 |
114 | 4BN | 0.607143 | 0.913979 |
115 | 5TW | 0.607143 | 0.913979 |
116 | BUA COA | 0.605634 | 0.943182 |
117 | PAP | 0.603604 | 0.811765 |
118 | JBT | 0.598837 | 0.894737 |
119 | BSJ | 0.592814 | 0.944444 |
120 | 6NA COA | 0.585034 | 0.922222 |
121 | HMG | 0.581081 | 0.943182 |
122 | MYR COA | 0.573333 | 0.922222 |
123 | EO3 COA | 0.573333 | 0.922222 |
124 | DAO COA | 0.573333 | 0.922222 |
125 | DCR COA | 0.573333 | 0.922222 |
126 | X90 COA | 0.573333 | 0.922222 |
127 | DKA COA | 0.573333 | 0.922222 |
128 | PLM COA | 0.573333 | 0.922222 |
129 | A3P | 0.54955 | 0.8 |
130 | PPS | 0.547009 | 0.752688 |
131 | ASP ASP ASP ILE NH2 CMC | 0.536585 | 0.932584 |
132 | 0WD | 0.521739 | 0.788889 |
133 | SFC | 0.490683 | 0.955056 |
134 | RFC | 0.490683 | 0.955056 |
135 | ACE SER ASP ALY THR NH2 COA | 0.483333 | 0.932584 |
136 | 3AM | 0.482143 | 0.788235 |
137 | PTJ | 0.48062 | 0.872093 |
138 | MET VAL ASN ALA CMC | 0.480447 | 0.932584 |
139 | 4PS | 0.477477 | 0.682353 |
140 | 5AD NJS | 0.47619 | 0.913043 |
141 | A22 | 0.468254 | 0.813953 |
142 | A2D | 0.465517 | 0.802326 |
143 | PUA | 0.462585 | 0.820225 |
144 | PAJ | 0.460938 | 0.883721 |
145 | HQG | 0.460317 | 0.813953 |
146 | ATR | 0.459016 | 0.8 |
147 | AGS | 0.459016 | 0.806818 |
148 | 3OD | 0.458015 | 0.825581 |
149 | ADP | 0.453782 | 0.823529 |
150 | 9BG | 0.451389 | 0.788889 |
151 | A2R | 0.448819 | 0.813953 |
152 | 8LE | 0.448 | 0.848837 |
153 | ACE MET LEU GLY PRO NH2 COA | 0.447917 | 0.932584 |
154 | UBG | 0.447853 | 0.844444 |
155 | BA3 | 0.445378 | 0.802326 |
156 | OAD | 0.442748 | 0.825581 |
157 | NA7 | 0.442748 | 0.858824 |
158 | ATP | 0.442623 | 0.823529 |
159 | HEJ | 0.442623 | 0.823529 |
160 | AP5 | 0.441667 | 0.802326 |
161 | B4P | 0.441667 | 0.802326 |
162 | 5FA | 0.439024 | 0.823529 |
163 | 2A5 | 0.439024 | 0.847059 |
164 | APR | 0.439024 | 0.802326 |
165 | AR6 | 0.439024 | 0.802326 |
166 | AQP | 0.439024 | 0.823529 |
167 | AT4 | 0.438017 | 0.816092 |
168 | AN2 | 0.438017 | 0.813953 |
169 | 48N | 0.435714 | 0.808989 |
170 | JNT | 0.435115 | 0.847059 |
171 | M33 | 0.434426 | 0.813953 |
172 | QA7 | 0.434109 | 0.848837 |
173 | 8LQ | 0.434109 | 0.837209 |
174 | 9X8 | 0.431818 | 0.806818 |
175 | SRP | 0.429688 | 0.837209 |
176 | ANP | 0.428571 | 0.804598 |
177 | ADQ | 0.427481 | 0.804598 |
178 | YLB | 0.426573 | 0.908046 |
179 | YLP | 0.425532 | 0.886364 |
180 | 5AL | 0.425197 | 0.813953 |
181 | 7D3 | 0.425 | 0.793103 |
182 | AD9 | 0.424 | 0.804598 |
183 | APU | 0.423611 | 0.786517 |
184 | CA0 | 0.422764 | 0.804598 |
185 | 7D4 | 0.422764 | 0.793103 |
186 | 25L | 0.422222 | 0.813953 |
187 | ATF | 0.421875 | 0.795455 |
188 | F2R | 0.421769 | 0.865169 |
189 | NJP | 0.421769 | 0.806818 |
190 | A2P | 0.421488 | 0.788235 |
191 | 8QN | 0.419847 | 0.813953 |
192 | PNS | 0.419643 | 0.682353 |
193 | ACP | 0.419355 | 0.825581 |
194 | KG4 | 0.419355 | 0.804598 |
195 | 8LH | 0.418605 | 0.837209 |
196 | J4G | 0.41791 | 0.848837 |
197 | NDP | 0.417808 | 0.788889 |
198 | ACQ | 0.417323 | 0.825581 |
199 | A1R | 0.416667 | 0.882353 |
200 | ATP A | 0.416058 | 0.770115 |
201 | ATP A A A | 0.416058 | 0.770115 |
202 | AMP | 0.415254 | 0.8 |
203 | A | 0.415254 | 0.8 |
204 | 1ZZ | 0.414815 | 0.842697 |
205 | TXA | 0.414815 | 0.816092 |
206 | FYA | 0.414815 | 0.813953 |
207 | NB8 | 0.414815 | 0.808989 |
208 | 00A | 0.413534 | 0.758242 |
209 | DLL | 0.413534 | 0.793103 |
210 | AHX | 0.413534 | 0.829545 |
211 | PAX | 0.412903 | 0.793478 |
212 | DQV | 0.411348 | 0.813953 |
213 | OMR | 0.409722 | 0.853933 |
214 | 9ZD | 0.409091 | 0.818182 |
215 | 25A | 0.409091 | 0.802326 |
216 | 9ZA | 0.409091 | 0.818182 |
217 | OOB | 0.409091 | 0.793103 |
218 | NPW | 0.408163 | 0.822222 |
219 | 6YZ | 0.407692 | 0.825581 |
220 | WAQ | 0.407407 | 0.860465 |
221 | TAT | 0.40625 | 0.816092 |
222 | T99 | 0.40625 | 0.816092 |
223 | 4AD | 0.406015 | 0.827586 |
224 | AMO | 0.406015 | 0.837209 |
225 | A3R | 0.406015 | 0.882353 |
226 | B5Y | 0.405797 | 0.786517 |
227 | FA5 | 0.405797 | 0.816092 |
228 | KMQ | 0.405797 | 0.795455 |
229 | TXP | 0.405405 | 0.829545 |
230 | 45A | 0.404959 | 0.781609 |
231 | ABM | 0.404959 | 0.781609 |
232 | PRX | 0.404762 | 0.825581 |
233 | ME8 | 0.404412 | 0.842697 |
234 | BIS | 0.404412 | 0.818182 |
235 | AFH | 0.404255 | 0.78022 |
236 | J7V | 0.403846 | 0.778947 |
237 | LQJ | 0.402878 | 0.781609 |
238 | NAI | 0.402778 | 0.777778 |
239 | ODP | 0.402685 | 0.78022 |
240 | DAL AMP | 0.401515 | 0.793103 |
241 | SRA | 0.4 | 0.784091 |
242 | ADX | 0.4 | 0.752688 |
243 | AU1 | 0.4 | 0.804598 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PRX | 1 | 1 |
2 | 5SV | 0.814815 | 0.947368 |
3 | A2D | 0.794521 | 0.893333 |
4 | BA3 | 0.773333 | 0.893333 |
5 | M33 | 0.766234 | 0.906667 |
6 | B4P | 0.763158 | 0.893333 |
7 | ADP | 0.763158 | 0.893333 |
8 | AP5 | 0.763158 | 0.893333 |
9 | A | 0.753425 | 0.917808 |
10 | AMP | 0.753425 | 0.917808 |
11 | AT4 | 0.753247 | 0.858974 |
12 | AN2 | 0.753247 | 0.881579 |
13 | APR | 0.746835 | 0.893333 |
14 | AR6 | 0.746835 | 0.893333 |
15 | ABM | 0.746667 | 0.918919 |
16 | 45A | 0.746667 | 0.918919 |
17 | CA0 | 0.74359 | 0.87013 |
18 | ADX | 0.74359 | 0.807229 |
19 | ATP | 0.734177 | 0.893333 |
20 | 50T | 0.734177 | 0.881579 |
21 | ACP | 0.734177 | 0.87013 |
22 | HEJ | 0.734177 | 0.893333 |
23 | KG4 | 0.734177 | 0.87013 |
24 | AQP | 0.725 | 0.893333 |
25 | 5FA | 0.725 | 0.893333 |
26 | AMP MG | 0.72 | 0.90411 |
27 | AGS | 0.716049 | 0.848101 |
28 | AD9 | 0.716049 | 0.87013 |
29 | 8LE | 0.710843 | 0.871795 |
30 | 5AL | 0.710843 | 0.906667 |
31 | A12 | 0.705128 | 0.858974 |
32 | AP2 | 0.705128 | 0.858974 |
33 | ANP | 0.698795 | 0.87013 |
34 | ACQ | 0.698795 | 0.87013 |
35 | QA7 | 0.697674 | 0.896104 |
36 | SRA | 0.697368 | 0.87013 |
37 | 8LH | 0.694118 | 0.907895 |
38 | ATF | 0.682353 | 0.858974 |
39 | 4AD | 0.681818 | 0.848101 |
40 | AU1 | 0.679012 | 0.87013 |
41 | 8LQ | 0.678161 | 0.907895 |
42 | ADV | 0.674699 | 0.858974 |
43 | RBY | 0.674699 | 0.858974 |
44 | 6YZ | 0.674419 | 0.87013 |
45 | SRP | 0.674419 | 0.858974 |
46 | 8QN | 0.670455 | 0.906667 |
47 | 1ZZ | 0.67033 | 0.911392 |
48 | HQG | 0.666667 | 0.881579 |
49 | ADP MG | 0.666667 | 0.891892 |
50 | ADP BEF | 0.666667 | 0.891892 |
51 | PAJ | 0.662921 | 0.8625 |
52 | APC | 0.662651 | 0.858974 |
53 | A22 | 0.659091 | 0.881579 |
54 | TAT | 0.658824 | 0.858974 |
55 | T99 | 0.658824 | 0.858974 |
56 | FYA | 0.652174 | 0.906667 |
57 | OZV | 0.651685 | 0.893333 |
58 | OOB | 0.651685 | 0.881579 |
59 | 25A | 0.651685 | 0.893333 |
60 | OAD | 0.648352 | 0.894737 |
61 | 9X8 | 0.648352 | 0.871795 |
62 | AMO | 0.644444 | 0.858974 |
63 | A1R | 0.644444 | 0.860759 |
64 | ADQ | 0.644444 | 0.87013 |
65 | A3R | 0.644444 | 0.860759 |
66 | LAD | 0.641304 | 0.839506 |
67 | WAQ | 0.641304 | 0.884615 |
68 | DLL | 0.637363 | 0.881579 |
69 | 00A | 0.637363 | 0.8375 |
70 | AHX | 0.637363 | 0.82716 |
71 | JNT | 0.637363 | 0.894737 |
72 | APC MG | 0.635294 | 0.868421 |
73 | ATP MG | 0.635294 | 0.891892 |
74 | ADP PO3 | 0.635294 | 0.891892 |
75 | TXA | 0.634409 | 0.883117 |
76 | PTJ | 0.634409 | 0.873418 |
77 | 3OD | 0.634409 | 0.894737 |
78 | ME8 | 0.634409 | 0.864198 |
79 | BIS | 0.634409 | 0.860759 |
80 | V2G | 0.632184 | 0.85 |
81 | B5M | 0.631579 | 0.871795 |
82 | 3UK | 0.630435 | 0.87013 |
83 | BEF ADP | 0.627907 | 0.868421 |
84 | SON | 0.626506 | 0.858974 |
85 | ANP MG | 0.625 | 0.881579 |
86 | PR8 | 0.623656 | 0.851852 |
87 | B5V | 0.623656 | 0.858974 |
88 | 9SN | 0.621053 | 0.82716 |
89 | GAP | 0.62069 | 0.846154 |
90 | LMS | 0.620253 | 0.785714 |
91 | NB8 | 0.617021 | 0.82716 |
92 | 9ZD | 0.615385 | 0.860759 |
93 | 9ZA | 0.615385 | 0.860759 |
94 | KMQ | 0.614583 | 0.883117 |
95 | B5Y | 0.614583 | 0.871795 |
96 | 5AS | 0.614458 | 0.802326 |
97 | 25L | 0.610526 | 0.881579 |
98 | AYB | 0.609524 | 0.878049 |
99 | ALF ADP | 0.606742 | 0.825 |
100 | VO4 ADP | 0.606742 | 0.87013 |
101 | 4UU | 0.606061 | 0.848101 |
102 | MAP | 0.604396 | 0.848101 |
103 | DAL AMP | 0.604396 | 0.881579 |
104 | YLP | 0.60396 | 0.865854 |
105 | 4UV | 0.602041 | 0.848101 |
106 | YLB | 0.601942 | 0.888889 |
107 | FA5 | 0.597938 | 0.858974 |
108 | MYR AMP | 0.59375 | 0.8875 |
109 | OMR | 0.592233 | 0.9 |
110 | XAH | 0.591837 | 0.819277 |
111 | GA7 | 0.59 | 0.907895 |
112 | XYA | 0.589041 | 0.797297 |
113 | ADN | 0.589041 | 0.797297 |
114 | RAB | 0.589041 | 0.797297 |
115 | AOC | 0.585366 | 0.8 |
116 | GTA | 0.584158 | 0.819277 |
117 | DQV | 0.584158 | 0.881579 |
118 | BTX | 0.583333 | 0.821429 |
119 | NAI | 0.582524 | 0.8375 |
120 | UP5 | 0.582524 | 0.848101 |
121 | 6V0 | 0.582524 | 0.82716 |
122 | G3A | 0.58 | 0.82716 |
123 | 3DH | 0.575 | 0.8 |
124 | AFH | 0.574257 | 0.817073 |
125 | G5P | 0.574257 | 0.82716 |
126 | 5N5 | 0.573333 | 0.773333 |
127 | 48N | 0.572816 | 0.85 |
128 | 4TC | 0.571429 | 0.82716 |
129 | YLC | 0.571429 | 0.841463 |
130 | AP0 | 0.571429 | 0.85 |
131 | UPA | 0.571429 | 0.8375 |
132 | NAX | 0.567308 | 0.829268 |
133 | 4UW | 0.567308 | 0.839506 |
134 | JB6 | 0.56701 | 0.884615 |
135 | A4D | 0.565789 | 0.773333 |
136 | 5CD | 0.565789 | 0.783784 |
137 | EP4 | 0.564103 | 0.779221 |
138 | LAQ | 0.563107 | 0.841463 |
139 | ADP BMA | 0.5625 | 0.846154 |
140 | TYM | 0.561905 | 0.858974 |
141 | TXE | 0.561905 | 0.860759 |
142 | M2T | 0.556962 | 0.759494 |
143 | L3W | 0.556604 | 0.858974 |
144 | 139 | 0.555556 | 0.829268 |
145 | DND | 0.552381 | 0.858974 |
146 | TXD | 0.552381 | 0.860759 |
147 | A4P | 0.551402 | 0.761364 |
148 | 2A5 | 0.550562 | 0.87013 |
149 | MTA | 0.55 | 0.8 |
150 | MAO | 0.546512 | 0.804878 |
151 | A3P | 0.546512 | 0.891892 |
152 | ATR | 0.544444 | 0.866667 |
153 | PAP | 0.544444 | 0.88 |
154 | 7D5 | 0.54321 | 0.831169 |
155 | A2R | 0.542553 | 0.881579 |
156 | YLA | 0.541284 | 0.821429 |
157 | T5A | 0.541284 | 0.821429 |
158 | H1Q | 0.539326 | 0.88 |
159 | G5A | 0.538462 | 0.741573 |
160 | A5A | 0.537634 | 0.788235 |
161 | DTA | 0.5375 | 0.766234 |
162 | TSB | 0.536842 | 0.77907 |
163 | CNA | 0.536364 | 0.858974 |
164 | NVA LMS | 0.536082 | 0.795455 |
165 | 6RE | 0.535714 | 0.740741 |
166 | 9K8 | 0.535354 | 0.717391 |
167 | 7D3 | 0.534884 | 0.810127 |
168 | 6MZ | 0.534884 | 0.905405 |
169 | ATP A | 0.534653 | 0.88 |
170 | ATP A A A | 0.534653 | 0.88 |
171 | AHZ | 0.533333 | 0.819277 |
172 | IOT | 0.53211 | 0.811765 |
173 | F2R | 0.531532 | 0.8 |
174 | 80F | 0.530973 | 0.77907 |
175 | 3AM | 0.53012 | 0.878378 |
176 | 7MD | 0.528846 | 0.841463 |
177 | ARG AMP | 0.528846 | 0.788235 |
178 | A2P | 0.528736 | 0.878378 |
179 | 7D4 | 0.52809 | 0.810127 |
180 | ITT | 0.52809 | 0.842105 |
181 | ADJ | 0.527273 | 0.831325 |
182 | PPS | 0.526882 | 0.785714 |
183 | COD | 0.526786 | 0.835294 |
184 | 52H | 0.526316 | 0.761364 |
185 | VMS | 0.526316 | 0.770115 |
186 | 54H | 0.526316 | 0.770115 |
187 | AMP DBH | 0.524272 | 0.846154 |
188 | TAD | 0.52381 | 0.817073 |
189 | J7C | 0.523256 | 0.75 |
190 | IMO | 0.523256 | 0.853333 |
191 | 53H | 0.520833 | 0.761364 |
192 | ARU | 0.520408 | 0.817073 |
193 | A3D | 0.517544 | 0.894737 |
194 | S4M | 0.517241 | 0.729412 |
195 | YLY | 0.517241 | 0.855422 |
196 | SSA | 0.515789 | 0.741573 |
197 | LEU LMS | 0.515152 | 0.752809 |
198 | AR6 AR6 | 0.514286 | 0.868421 |
199 | 7MC | 0.513761 | 0.843373 |
200 | NAD | 0.513274 | 0.881579 |
201 | NAE | 0.512821 | 0.896104 |
202 | 6AD | 0.510638 | 0.839506 |
203 | NSS | 0.510204 | 0.741573 |
204 | LSS | 0.510204 | 0.764045 |
205 | BT5 | 0.508772 | 0.811765 |
206 | NAQ | 0.508475 | 0.873418 |
207 | EAD | 0.508333 | 0.851852 |
208 | ZAS | 0.505882 | 0.746835 |
209 | A3N | 0.505747 | 0.74359 |
210 | HFD | 0.505376 | 0.848101 |
211 | JSQ | 0.505376 | 0.848101 |
212 | 8X1 | 0.505155 | 0.736264 |
213 | 5CA | 0.505155 | 0.741573 |
214 | P1H | 0.504065 | 0.876543 |
215 | 2AM | 0.5 | 0.866667 |
216 | LPA AMP | 0.5 | 0.819277 |
217 | NAJ PZO | 0.5 | 0.804878 |
218 | 5AD | 0.5 | 0.75 |
219 | V3L | 0.5 | 0.893333 |
220 | P5A | 0.49505 | 0.747253 |
221 | DSZ | 0.494949 | 0.741573 |
222 | DSH | 0.494253 | 0.75 |
223 | N0B | 0.491667 | 0.821429 |
224 | M24 | 0.491525 | 0.807229 |
225 | ALF ADP 3PG | 0.490909 | 0.795181 |
226 | AF3 ADP 3PG | 0.490909 | 0.795181 |
227 | O02 | 0.489362 | 0.82716 |
228 | 5X8 | 0.48913 | 0.74359 |
229 | NWW | 0.4875 | 0.716216 |
230 | D4F | 0.487395 | 0.797619 |
231 | NAD IBO | 0.486486 | 0.868421 |
232 | NAD TDB | 0.486486 | 0.868421 |
233 | NA7 | 0.485149 | 0.883117 |
234 | SMM | 0.484536 | 0.729412 |
235 | 6IA | 0.484211 | 0.8625 |
236 | GJV | 0.483146 | 0.731707 |
237 | OVE | 0.482759 | 0.833333 |
238 | DZD | 0.482759 | 0.839506 |
239 | V1N | 0.481132 | 0.918919 |
240 | GSU | 0.480392 | 0.761364 |
241 | KAA | 0.480392 | 0.736264 |
242 | NO7 | 0.479592 | 0.835443 |
243 | ZID | 0.479339 | 0.87013 |
244 | SA8 | 0.478723 | 0.753086 |
245 | MHZ | 0.478261 | 0.761905 |
246 | NEC | 0.477273 | 0.75 |
247 | AV2 | 0.474227 | 0.820513 |
248 | 4TA | 0.474138 | 0.809524 |
249 | SFG | 0.473118 | 0.753247 |
250 | DAT | 0.473118 | 0.833333 |
251 | CUU | 0.473118 | 0.868421 |
252 | FB0 | 0.472441 | 0.806818 |
253 | YSA | 0.471698 | 0.741573 |
254 | NAJ PYZ | 0.471074 | 0.767442 |
255 | AVV | 0.47 | 0.85 |
256 | S7M | 0.469388 | 0.73494 |
257 | DTP | 0.46875 | 0.833333 |
258 | 3AT | 0.46875 | 0.868421 |
259 | SAM | 0.46875 | 0.73494 |
260 | A7D | 0.467391 | 0.779221 |
261 | 38V | 0.467213 | 0.797619 |
262 | 0UM | 0.465347 | 0.7875 |
263 | EEM | 0.463918 | 0.73494 |
264 | A5D | 0.463158 | 0.766234 |
265 | 8PZ | 0.462264 | 0.741573 |
266 | K3K | 0.462264 | 0.759494 |
267 | AMP NAD | 0.461538 | 0.857143 |
268 | 71V | 0.461538 | 0.8375 |
269 | 6FA | 0.461538 | 0.821429 |
270 | 0WD | 0.461538 | 0.82716 |
271 | DA | 0.460674 | 0.855263 |
272 | A3G | 0.460674 | 0.75641 |
273 | D5M | 0.460674 | 0.855263 |
274 | GGZ | 0.46 | 0.761905 |
275 | KOY | 0.459459 | 0.782051 |
276 | SAI | 0.458333 | 0.7375 |
277 | SAH | 0.458333 | 0.746835 |
278 | 6C6 | 0.458333 | 0.883117 |
279 | B1U | 0.457944 | 0.702128 |
280 | LQJ | 0.457944 | 0.868421 |
281 | Y3J | 0.45679 | 0.706667 |
282 | NDE | 0.456693 | 0.858974 |
283 | K15 | 0.456311 | 0.768293 |
284 | 7D7 | 0.455696 | 0.723684 |
285 | AAM | 0.455556 | 0.917808 |
286 | FAD | 0.454545 | 0.831325 |
287 | FAS | 0.454545 | 0.831325 |
288 | 4YB | 0.454545 | 0.744444 |
289 | SFD | 0.454545 | 0.71875 |
290 | FDA | 0.453846 | 0.793103 |
291 | K3E | 0.453704 | 0.75 |
292 | J4G | 0.451923 | 0.871795 |
293 | 7DD | 0.451613 | 0.88 |
294 | Z5A | 0.451613 | 0.781609 |
295 | WSA | 0.451327 | 0.75 |
296 | NDC | 0.449612 | 0.873418 |
297 | 7C5 | 0.449541 | 0.753086 |
298 | AAT | 0.44898 | 0.731707 |
299 | NWQ | 0.448276 | 0.72 |
300 | NDP | 0.448276 | 0.82716 |
301 | NVA 2AD | 0.447917 | 0.807692 |
302 | PGS | 0.446809 | 0.792683 |
303 | K2H | 0.446602 | 0.759494 |
304 | AIR | 0.445783 | 0.851351 |
305 | 2SA | 0.444444 | 0.835443 |
306 | APU | 0.443478 | 0.825 |
307 | PO4 PO4 A A A A PO4 | 0.442308 | 0.853333 |
308 | A3T | 0.442105 | 0.8 |
309 | FNK | 0.441176 | 0.786517 |
310 | GEK | 0.441176 | 0.719512 |
311 | QXP | 0.441176 | 0.707865 |
312 | 62F | 0.441176 | 0.841463 |
313 | ODP | 0.440678 | 0.817073 |
314 | NJP | 0.440678 | 0.848101 |
315 | V47 | 0.44 | 0.763158 |
316 | 649 | 0.438596 | 0.747253 |
317 | K2K | 0.438095 | 0.719512 |
318 | FAY | 0.437956 | 0.841463 |
319 | 7DT | 0.4375 | 0.88 |
320 | AMZ | 0.436782 | 0.818182 |
321 | C2R | 0.436782 | 0.807692 |
322 | A3S | 0.43617 | 0.766234 |
323 | NPW | 0.435897 | 0.819277 |
324 | RFL | 0.434783 | 0.802326 |
325 | SXZ | 0.433962 | 0.756098 |
326 | 62X | 0.432692 | 0.729412 |
327 | N6P | 0.432692 | 0.864865 |
328 | KY2 | 0.431373 | 0.73494 |
329 | PUA | 0.430894 | 0.817073 |
330 | N5O | 0.428571 | 0.74359 |
331 | A6D | 0.428571 | 0.705882 |
332 | VRT | 0.428571 | 0.818182 |
333 | QXG | 0.428571 | 0.7 |
334 | 0T1 | 0.427419 | 0.847059 |
335 | 6K6 | 0.427184 | 0.88 |
336 | NIA | 0.426966 | 0.759036 |
337 | PLP AAD | 0.42623 | 0.755556 |
338 | 12D | 0.424779 | 0.707865 |
339 | R2V | 0.424528 | 0.707865 |
340 | DDS | 0.424242 | 0.831169 |
341 | AS | 0.423913 | 0.8125 |
342 | DCA | 0.422764 | 0.847059 |
343 | ETB | 0.422764 | 0.813953 |
344 | 8Q2 | 0.422414 | 0.717391 |
345 | RGT | 0.422018 | 0.858974 |
346 | O05 | 0.420561 | 0.802326 |
347 | NZQ | 0.420168 | 0.817073 |
348 | TXP | 0.420168 | 0.85 |
349 | N5A | 0.419355 | 0.717949 |
350 | K3H | 0.418182 | 0.753086 |
351 | K2W | 0.418182 | 0.722892 |
352 | 101 | 0.417582 | 0.855263 |
353 | 128 | 0.417391 | 0.7 |
354 | TM1 | 0.416667 | 0.715909 |
355 | P5F | 0.416667 | 0.784091 |
356 | 3AD | 0.416667 | 0.783784 |
357 | KY5 | 0.416667 | 0.75 |
358 | KH3 | 0.415929 | 0.759036 |
359 | SO8 | 0.414141 | 0.815789 |
360 | S8M | 0.413462 | 0.7625 |
361 | XNP | 0.413223 | 0.807229 |
362 | 7RP | 0.413043 | 0.876712 |
363 | K38 | 0.412844 | 0.7375 |
364 | 2VA | 0.412371 | 0.779221 |
365 | 26A | 0.411765 | 0.74359 |
366 | KY8 | 0.411215 | 0.753086 |
367 | 3NZ | 0.411215 | 0.7625 |
368 | KYB | 0.409524 | 0.73494 |
369 | KL2 | 0.409091 | 0.792208 |
370 | 7RA | 0.408602 | 0.905405 |
371 | RMB | 0.408602 | 0.849315 |
372 | ZZB | 0.408333 | 0.776471 |
373 | FA9 | 0.408163 | 0.821429 |
374 | K2R | 0.407407 | 0.833333 |
375 | ACK | 0.406593 | 0.837838 |
376 | QQY | 0.406593 | 0.794872 |
377 | 1DG | 0.40625 | 0.82716 |
378 | DG1 | 0.40625 | 0.82716 |
379 | DZ4 | 0.405941 | 0.8125 |
380 | 9BG | 0.404959 | 0.804878 |
381 | COA | 0.404762 | 0.825581 |
382 | EO7 | 0.404255 | 0.75 |
383 | 8BR | 0.404255 | 0.858974 |
384 | KB1 | 0.40367 | 0.702381 |
385 | KXW | 0.403509 | 0.731707 |
386 | NA0 | 0.403101 | 0.883117 |
387 | 9JJ | 0.402778 | 0.797619 |
388 | FAJ | 0.402685 | 0.811765 |
389 | CC5 | 0.402439 | 0.794521 |
390 | NMN AMP PO4 | 0.401639 | 0.825 |
391 | F2N | 0.401361 | 0.795455 |
392 | CMP | 0.4 | 0.876712 |
393 | NAD CJ3 | 0.4 | 0.752809 |
394 | 2BA | 0.4 | 0.864865 |
395 | GP3 | 0.4 | 0.82716 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMP | 0.9203 |
2 | GDP | 0.9194 |
3 | FMP | 0.9185 |
4 | UDP | 0.9148 |
5 | IDP | 0.9066 |
6 | 8OP | 0.9051 |
7 | 5GP | 0.9015 |
8 | G | 0.9002 |
9 | GNH | 0.8918 |
10 | 8GM | 0.8894 |
11 | PFU | 0.8885 |
12 | 6MA | 0.8865 |
13 | M7G | 0.8856 |
14 | XMP | 0.8853 |
15 | IMU | 0.8800 |
16 | IRP | 0.8755 |
17 | 5FU | 0.8701 |
18 | DGP | 0.8686 |
19 | DG | 0.8686 |
20 | 5BU | 0.8668 |
21 | GP2 | 0.8666 |
22 | FNU | 0.8658 |
23 | TMP | 0.8602 |
This union binding pocket(no: 1) in the query (biounit: 1pg4.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1pg4.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1pg4.bio2) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1AMU | AMP | 39.4316 |
2 | 6IJB | AMP | 42.4861 |
This union binding pocket(no: 4) in the query (biounit: 1pg4.bio2) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1AMU | AMP | 39.4316 |
2 | 6IJB | AMP | 42.4861 |