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- Structure Biounit | Ligand Information
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- 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 | 5N81 | - | 8Q2 | C22 H25 N7 O8 S | C#CCOc1ccc.... |
2 | 5N82 | - | 8PZ | C19 H23 N7 O7 S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4D4G | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
2 | 4D56 | - | TYR AMP | n/a | n/a |
3 | 4D57 | - | ARG AMP | n/a | n/a |
4 | 4D4I | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
5 | 1AMU | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
6 | 5N81 | - | 8Q2 | C22 H25 N7 O8 S | C#CCOc1ccc.... |
7 | 5N82 | - | 8PZ | C19 H23 N7 O7 S | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8Q2 | 1 | 1 |
2 | 8PZ | 0.784314 | 0.965116 |
3 | G5A | 0.637255 | 0.920455 |
4 | A5A | 0.603774 | 0.908046 |
5 | 53H | 0.601852 | 0.877778 |
6 | SSA | 0.598131 | 0.942529 |
7 | VMS | 0.592593 | 0.88764 |
8 | 54H | 0.592593 | 0.88764 |
9 | 52H | 0.592593 | 0.877778 |
10 | DSZ | 0.590909 | 0.942529 |
11 | LSS | 0.590909 | 0.9 |
12 | 5CA | 0.587156 | 0.942529 |
13 | TSB | 0.587156 | 0.91954 |
14 | 649 | 0.578512 | 0.922222 |
15 | YSA | 0.577586 | 0.965116 |
16 | NSS | 0.576577 | 0.942529 |
17 | GSU | 0.575221 | 0.920455 |
18 | KAA | 0.575221 | 0.89011 |
19 | 8X1 | 0.572727 | 0.89011 |
20 | 4YB | 0.558333 | 0.921348 |
21 | NVA LMS | 0.557522 | 0.89011 |
22 | 5AS | 0.548077 | 0.857143 |
23 | P5A | 0.547826 | 0.880435 |
24 | B1U | 0.525 | 0.851064 |
25 | LMS | 0.519608 | 0.906977 |
26 | WSA | 0.515873 | 0.953488 |
27 | AOC | 0.509615 | 0.712644 |
28 | SLU | 0.488889 | 0.910112 |
29 | SRA | 0.485714 | 0.775281 |
30 | QA7 | 0.466102 | 0.73913 |
31 | 5X8 | 0.464286 | 0.704545 |
32 | LEU LMS | 0.46281 | 0.827957 |
33 | AMP | 0.462264 | 0.75 |
34 | A | 0.462264 | 0.75 |
35 | SON | 0.459459 | 0.766667 |
36 | AMP MG | 0.457944 | 0.738636 |
37 | 5AL | 0.456897 | 0.764045 |
38 | AGS | 0.45614 | 0.797753 |
39 | CA0 | 0.455357 | 0.775281 |
40 | NB8 | 0.455285 | 0.8 |
41 | BA3 | 0.454545 | 0.793103 |
42 | AHX | 0.454545 | 0.8 |
43 | 8LQ | 0.453782 | 0.766667 |
44 | KG4 | 0.451327 | 0.775281 |
45 | B4P | 0.45045 | 0.793103 |
46 | AP5 | 0.45045 | 0.793103 |
47 | OOB | 0.45 | 0.784091 |
48 | ABM | 0.449541 | 0.733333 |
49 | A3N | 0.449541 | 0.685393 |
50 | 45A | 0.449541 | 0.733333 |
51 | A2D | 0.449541 | 0.793103 |
52 | SRP | 0.449153 | 0.786517 |
53 | ADP MG | 0.446429 | 0.75 |
54 | ADP BEF | 0.446429 | 0.75 |
55 | AN2 | 0.446429 | 0.784091 |
56 | AT4 | 0.446429 | 0.786517 |
57 | AMO | 0.446281 | 0.806818 |
58 | V2G | 0.444444 | 0.76087 |
59 | 00A | 0.442623 | 0.75 |
60 | AU1 | 0.442478 | 0.775281 |
61 | ADX | 0.442478 | 0.885057 |
62 | AP2 | 0.441441 | 0.766667 |
63 | A12 | 0.441441 | 0.766667 |
64 | XAH | 0.440945 | 0.755319 |
65 | ATP | 0.438596 | 0.772727 |
66 | HEJ | 0.438596 | 0.772727 |
67 | 50T | 0.438596 | 0.744444 |
68 | 9ZA | 0.438017 | 0.75 |
69 | 8QN | 0.438017 | 0.764045 |
70 | 9ZD | 0.438017 | 0.75 |
71 | AMP DBH | 0.4375 | 0.755556 |
72 | ADP | 0.4375 | 0.772727 |
73 | 8LH | 0.436975 | 0.747253 |
74 | GAP | 0.435897 | 0.736264 |
75 | B5V | 0.435484 | 0.786517 |
76 | AQP | 0.434783 | 0.772727 |
77 | 5FA | 0.434783 | 0.772727 |
78 | 4AD | 0.434426 | 0.797753 |
79 | YLA | 0.433824 | 0.757895 |
80 | 8LE | 0.432203 | 0.73913 |
81 | TXA | 0.432 | 0.766667 |
82 | 5CD | 0.431373 | 0.659091 |
83 | APC MG | 0.431034 | 0.733333 |
84 | DLL | 0.430894 | 0.784091 |
85 | XYA | 0.43 | 0.689655 |
86 | ADN | 0.43 | 0.689655 |
87 | RAB | 0.43 | 0.689655 |
88 | 3DH | 0.429907 | 0.655556 |
89 | M33 | 0.429825 | 0.764045 |
90 | DAL AMP | 0.429752 | 0.744444 |
91 | DTA | 0.428571 | 0.704545 |
92 | VO4 ADP | 0.428571 | 0.736264 |
93 | 3UK | 0.427419 | 0.775281 |
94 | QXP | 0.42623 | 0.844444 |
95 | ACP | 0.426087 | 0.775281 |
96 | H1Q | 0.426087 | 0.741573 |
97 | SFG | 0.426087 | 0.674157 |
98 | 9SN | 0.425197 | 0.741935 |
99 | S7M | 0.425 | 0.663158 |
100 | LAD | 0.424 | 0.752688 |
101 | R2V | 0.424 | 0.865169 |
102 | WAQ | 0.424 | 0.75 |
103 | TAT | 0.423729 | 0.786517 |
104 | T99 | 0.423729 | 0.786517 |
105 | ANP | 0.423729 | 0.775281 |
106 | PAJ | 0.422764 | 0.734043 |
107 | PRX | 0.422414 | 0.717391 |
108 | APR | 0.422414 | 0.772727 |
109 | APC | 0.422414 | 0.766667 |
110 | AR6 | 0.422414 | 0.772727 |
111 | FA5 | 0.421875 | 0.806818 |
112 | 5N5 | 0.421569 | 0.670455 |
113 | HQG | 0.421488 | 0.764045 |
114 | KOY | 0.421053 | 0.719101 |
115 | ME8 | 0.420635 | 0.755319 |
116 | 9K8 | 0.420635 | 0.755102 |
117 | 1ZZ | 0.420635 | 0.701031 |
118 | 7MD | 0.419847 | 0.774194 |
119 | ADV | 0.418803 | 0.766667 |
120 | ATP MG | 0.418803 | 0.75 |
121 | RBY | 0.418803 | 0.766667 |
122 | AD9 | 0.418803 | 0.755556 |
123 | ADP PO3 | 0.418803 | 0.75 |
124 | SA8 | 0.418803 | 0.642105 |
125 | A4D | 0.417476 | 0.689655 |
126 | ANP MG | 0.416667 | 0.764045 |
127 | OAD | 0.416 | 0.775281 |
128 | QXG | 0.416 | 0.855556 |
129 | SAH | 0.415254 | 0.688889 |
130 | BEF ADP | 0.415254 | 0.733333 |
131 | M2T | 0.415094 | 0.645161 |
132 | V47 | 0.413223 | 0.681818 |
133 | SMM | 0.413223 | 0.659794 |
134 | ACQ | 0.411765 | 0.775281 |
135 | SAM | 0.411765 | 0.663158 |
136 | ADQ | 0.41129 | 0.775281 |
137 | MTA | 0.411215 | 0.655556 |
138 | B5M | 0.410853 | 0.777778 |
139 | YLP | 0.410448 | 0.721649 |
140 | FYA | 0.409449 | 0.784091 |
141 | JB6 | 0.409449 | 0.788889 |
142 | PTJ | 0.409449 | 0.723404 |
143 | DND | 0.407407 | 0.786517 |
144 | A22 | 0.406504 | 0.784091 |
145 | MAP | 0.406504 | 0.758242 |
146 | MYR AMP | 0.40625 | 0.683673 |
147 | DQV | 0.406015 | 0.804598 |
148 | EP4 | 0.40566 | 0.623656 |
149 | 6RE | 0.405405 | 0.648936 |
150 | ATF | 0.404959 | 0.747253 |
151 | ALF ADP | 0.404959 | 0.702128 |
152 | 9X8 | 0.404762 | 0.777778 |
153 | ADP BMA | 0.404762 | 0.755556 |
154 | AF3 ADP 3PG | 0.404412 | 0.715789 |
155 | SAI | 0.403361 | 0.663043 |
156 | 25A | 0.403226 | 0.772727 |
157 | 5SV | 0.403226 | 0.6875 |
158 | OZV | 0.403226 | 0.772727 |
159 | LAQ | 0.402985 | 0.736842 |
160 | AHZ | 0.402985 | 0.701031 |
161 | 594 | 0.402778 | 0.808081 |
162 | 6YZ | 0.401639 | 0.775281 |
163 | PR8 | 0.401575 | 0.744681 |
164 | YLB | 0.40146 | 0.721649 |
165 | 7MC | 0.40146 | 0.757895 |
166 | 48N | 0.4 | 0.76087 |
167 | A1R | 0.4 | 0.769231 |
168 | 0UM | 0.4 | 0.635417 |
169 | B5Y | 0.4 | 0.777778 |
170 | 67D | 0.4 | 0.9 |
This union binding pocket(no: 1) in the query (biounit: 5n81.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5n81.bio2) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |