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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 67 families. | |||||
1 | 4JRB | - | PGT | C40 H79 O10 P | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 4JRB | - | PGT | C40 H79 O10 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LHG | 1 | 1 |
2 | PGT | 1 | 1 |
3 | CD4 | 0.870968 | 0.954545 |
4 | 44G | 0.868852 | 1 |
5 | D3D | 0.867647 | 0.977778 |
6 | PGW | 0.867647 | 0.977778 |
7 | PGV | 0.855072 | 0.977778 |
8 | DR9 | 0.855072 | 0.977778 |
9 | PGK | 0.842857 | 0.93617 |
10 | P6L | 0.842857 | 0.977778 |
11 | OZ2 | 0.830986 | 0.977778 |
12 | DGG | 0.808219 | 0.93617 |
13 | CN3 | 0.771429 | 0.954545 |
14 | PEF | 0.746269 | 0.826923 |
15 | 8PE | 0.746269 | 0.826923 |
16 | PEV | 0.746269 | 0.826923 |
17 | 3PE | 0.746269 | 0.826923 |
18 | PEH | 0.746269 | 0.826923 |
19 | PTY | 0.746269 | 0.826923 |
20 | CN6 | 0.742857 | 0.954545 |
21 | P5S | 0.73913 | 0.843137 |
22 | PEE | 0.735294 | 0.811321 |
23 | 9PE | 0.735294 | 0.826923 |
24 | 8SP | 0.724638 | 0.843137 |
25 | HGX | 0.714286 | 0.701754 |
26 | HGP | 0.714286 | 0.701754 |
27 | PX4 | 0.714286 | 0.701754 |
28 | LIO | 0.714286 | 0.701754 |
29 | PC7 | 0.714286 | 0.701754 |
30 | PLD | 0.714286 | 0.701754 |
31 | 6PL | 0.714286 | 0.701754 |
32 | PG8 | 0.710145 | 0.955556 |
33 | 3PH | 0.703125 | 0.911111 |
34 | F57 | 0.703125 | 0.911111 |
35 | LPP | 0.703125 | 0.911111 |
36 | 7PH | 0.703125 | 0.911111 |
37 | 6PH | 0.703125 | 0.911111 |
38 | 7P9 | 0.692308 | 0.911111 |
39 | PX8 | 0.692308 | 0.888889 |
40 | PX2 | 0.692308 | 0.888889 |
41 | PA8 | 0.676923 | 0.888889 |
42 | AGA | 0.666667 | 0.955556 |
43 | XP5 | 0.661972 | 0.701754 |
44 | LOP | 0.657895 | 0.811321 |
45 | 6OU | 0.657895 | 0.811321 |
46 | L9Q | 0.657895 | 0.811321 |
47 | RXY | 0.649351 | 0.811321 |
48 | PII | 0.648649 | 0.84 |
49 | CDL | 0.647887 | 0.866667 |
50 | PD7 | 0.646154 | 0.911111 |
51 | P50 | 0.64557 | 0.807692 |
52 | PSF | 0.633803 | 0.843137 |
53 | TGL | 0.633333 | 0.659091 |
54 | PCW | 0.632911 | 0.689655 |
55 | ZPE | 0.620253 | 0.811321 |
56 | PCK | 0.617284 | 0.666667 |
57 | D21 | 0.616438 | 0.891304 |
58 | M7U | 0.616438 | 0.911111 |
59 | HXG | 0.611111 | 0.701754 |
60 | PIF | 0.61039 | 0.823529 |
61 | P3A | 0.609756 | 0.934783 |
62 | PIZ | 0.6 | 0.803922 |
63 | GP7 | 0.595238 | 0.811321 |
64 | L2C | 0.59375 | 0.704545 |
65 | DDR | 0.59375 | 0.704545 |
66 | 1EM | 0.59375 | 0.704545 |
67 | DGA | 0.59375 | 0.704545 |
68 | FAW | 0.59375 | 0.704545 |
69 | 44E | 0.590909 | 0.911111 |
70 | PEK | 0.590361 | 0.811321 |
71 | IP9 | 0.5875 | 0.803922 |
72 | PIO | 0.5875 | 0.823529 |
73 | 52N | 0.5875 | 0.823529 |
74 | PSC | 0.581395 | 0.689655 |
75 | B7N | 0.578313 | 0.823529 |
76 | PC1 | 0.551282 | 0.660714 |
77 | MC3 | 0.551282 | 0.660714 |
78 | PCF | 0.551282 | 0.660714 |
79 | LPX | 0.547945 | 0.807692 |
80 | 1QW | 0.539683 | 0.727273 |
81 | EKG | 0.539683 | 0.727273 |
82 | GYM | 0.539683 | 0.727273 |
83 | PDK | 0.537634 | 0.716667 |
84 | LBR | 0.535211 | 0.652174 |
85 | LP3 | 0.526316 | 0.736842 |
86 | K6G | 0.526316 | 0.736842 |
87 | LAP | 0.526316 | 0.736842 |
88 | LPC | 0.526316 | 0.736842 |
89 | PGM | 0.520548 | 0.933333 |
90 | PIE | 0.517241 | 0.769231 |
91 | T7X | 0.516484 | 0.823529 |
92 | NKO | 0.507246 | 0.911111 |
93 | NKN | 0.507246 | 0.911111 |
94 | EPH | 0.5 | 0.811321 |
95 | G2A | 0.5 | 0.666667 |
96 | 2JT | 0.5 | 0.666667 |
97 | LBN | 0.494253 | 0.649123 |
98 | L9R | 0.494253 | 0.649123 |
99 | POV | 0.494253 | 0.649123 |
100 | S12 | 0.493976 | 0.807692 |
101 | SQD | 0.482759 | 0.640625 |
102 | CN5 | 0.481013 | 0.933333 |
103 | OLC | 0.472222 | 0.711111 |
104 | OLB | 0.472222 | 0.711111 |
105 | 42H | 0.470588 | 0.724138 |
106 | BQ9 | 0.469136 | 0.688889 |
107 | DGD | 0.467391 | 0.618182 |
108 | 1O2 | 0.456522 | 0.6 |
109 | MVC | 0.452055 | 0.711111 |
110 | 3TF | 0.451613 | 0.6 |
111 | NKP | 0.448718 | 0.891304 |
112 | PCJ | 0.44186 | 0.607143 |
113 | 78M | 0.438356 | 0.711111 |
114 | 78N | 0.438356 | 0.711111 |
115 | DLP | 0.43617 | 0.649123 |
116 | 1WV | 0.424658 | 0.711111 |
117 | 1L2 | 0.42 | 0.6 |
118 | I35 | 0.402439 | 0.745098 |
119 | DB4 | 0.402439 | 0.764706 |
120 | GGD | 0.4 | 0.607143 |
121 | PBU | 0.4 | 0.764706 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4jrb.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |