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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 5 families. | |||||
1 | 3OZ2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3OZ2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAD | 1 | 1 |
2 | FAS | 1 | 1 |
3 | FAY | 0.859259 | 0.9875 |
4 | RFL | 0.852941 | 0.963855 |
5 | 6FA | 0.794118 | 0.987654 |
6 | FAE | 0.751773 | 0.987654 |
7 | SFD | 0.651007 | 0.860215 |
8 | FDA | 0.641892 | 0.906977 |
9 | FNK | 0.602564 | 0.876405 |
10 | 62F | 0.572327 | 0.939024 |
11 | F2N | 0.566265 | 0.886364 |
12 | FMN | 0.543307 | 0.876543 |
13 | FA9 | 0.526316 | 0.939759 |
14 | 6YU | 0.516304 | 0.860215 |
15 | P6G FDA | 0.511628 | 0.908046 |
16 | FAD NBT | 0.508876 | 0.83871 |
17 | A2D | 0.504065 | 0.875 |
18 | P5F | 0.491329 | 0.941176 |
19 | FAD CNX | 0.488506 | 0.8125 |
20 | AR6 | 0.488372 | 0.851852 |
21 | APR | 0.488372 | 0.851852 |
22 | SAP | 0.484615 | 0.811765 |
23 | AGS | 0.484615 | 0.811765 |
24 | M33 | 0.484375 | 0.864198 |
25 | BA3 | 0.484127 | 0.875 |
26 | ATP | 0.48062 | 0.851852 |
27 | HEJ | 0.48062 | 0.851852 |
28 | AP5 | 0.480315 | 0.875 |
29 | B4P | 0.480315 | 0.875 |
30 | ADP | 0.480315 | 0.851852 |
31 | ANP | 0.477273 | 0.831325 |
32 | 5FA | 0.476923 | 0.851852 |
33 | AQP | 0.476923 | 0.851852 |
34 | 48N | 0.469388 | 0.902439 |
35 | OAD | 0.467626 | 0.876543 |
36 | 9X8 | 0.467626 | 0.833333 |
37 | FAD NBA | 0.467033 | 0.793814 |
38 | GTA | 0.465753 | 0.892857 |
39 | AT4 | 0.465116 | 0.821429 |
40 | AN2 | 0.465116 | 0.841463 |
41 | HQG | 0.463235 | 0.841463 |
42 | AD9 | 0.462121 | 0.831325 |
43 | 3OD | 0.460993 | 0.876543 |
44 | RBF | 0.460938 | 0.790123 |
45 | FB0 | 0.460606 | 0.835165 |
46 | 139 | 0.460526 | 0.858824 |
47 | AP0 | 0.46 | 0.835294 |
48 | A22 | 0.459854 | 0.864198 |
49 | ACP | 0.458015 | 0.853659 |
50 | 8QN | 0.456522 | 0.864198 |
51 | PRX | 0.454545 | 0.831325 |
52 | A1R | 0.453237 | 0.86747 |
53 | A3R | 0.453237 | 0.86747 |
54 | G3A | 0.452055 | 0.902439 |
55 | T5A | 0.45098 | 0.872093 |
56 | G5P | 0.44898 | 0.902439 |
57 | ATF | 0.448529 | 0.821429 |
58 | 50T | 0.44697 | 0.819277 |
59 | OZV | 0.446043 | 0.851852 |
60 | 6YZ | 0.445255 | 0.853659 |
61 | ACQ | 0.444444 | 0.853659 |
62 | CNV FAD | 0.443182 | 0.917647 |
63 | PAJ | 0.442857 | 0.847059 |
64 | ADQ | 0.442857 | 0.853659 |
65 | 8LE | 0.441176 | 0.855422 |
66 | 5AL | 0.441176 | 0.864198 |
67 | CA0 | 0.439394 | 0.853659 |
68 | ADX | 0.439394 | 0.775281 |
69 | 8LQ | 0.438849 | 0.865854 |
70 | A4P | 0.437909 | 0.831461 |
71 | 25L | 0.4375 | 0.864198 |
72 | P33 FDA | 0.436464 | 0.817204 |
73 | KG4 | 0.43609 | 0.853659 |
74 | 5SV | 0.435714 | 0.793103 |
75 | 8LH | 0.434783 | 0.843373 |
76 | OMR | 0.434211 | 0.818182 |
77 | TXE | 0.434211 | 0.890244 |
78 | 45A | 0.434109 | 0.829268 |
79 | ABM | 0.434109 | 0.829268 |
80 | AMP | 0.433071 | 0.82716 |
81 | A | 0.433071 | 0.82716 |
82 | 4AD | 0.432624 | 0.855422 |
83 | ADJ | 0.432258 | 0.818182 |
84 | B5Y | 0.431507 | 0.878049 |
85 | B5M | 0.431507 | 0.878049 |
86 | BIS | 0.430556 | 0.802326 |
87 | SRA | 0.429688 | 0.788235 |
88 | AFH | 0.42953 | 0.825581 |
89 | NXX | 0.427632 | 0.865854 |
90 | UP5 | 0.427632 | 0.878049 |
91 | TXD | 0.427632 | 0.890244 |
92 | 6V0 | 0.427632 | 0.857143 |
93 | DND | 0.427632 | 0.865854 |
94 | DQV | 0.426667 | 0.8875 |
95 | SRP | 0.42446 | 0.843373 |
96 | PR8 | 0.423611 | 0.837209 |
97 | TAT | 0.423358 | 0.821429 |
98 | T99 | 0.423358 | 0.821429 |
99 | AMO | 0.422535 | 0.865854 |
100 | FYA | 0.42069 | 0.864198 |
101 | TXA | 0.42069 | 0.865854 |
102 | PTJ | 0.42069 | 0.835294 |
103 | CNA | 0.420382 | 0.865854 |
104 | 00A | 0.41958 | 0.823529 |
105 | AHX | 0.41958 | 0.835294 |
106 | MAP | 0.41844 | 0.811765 |
107 | NAI | 0.418301 | 0.845238 |
108 | AU1 | 0.41791 | 0.831325 |
109 | AP2 | 0.416667 | 0.843373 |
110 | A12 | 0.416667 | 0.843373 |
111 | 9ZA | 0.415493 | 0.845238 |
112 | 9ZD | 0.415493 | 0.845238 |
113 | 25A | 0.415493 | 0.851852 |
114 | COD | 0.415094 | 0.842697 |
115 | 4TC | 0.412903 | 0.879518 |
116 | APC | 0.411765 | 0.843373 |
117 | ME8 | 0.410959 | 0.806818 |
118 | NB8 | 0.410959 | 0.835294 |
119 | 1ZZ | 0.410959 | 0.806818 |
120 | ADP MG | 0.410448 | 0.82716 |
121 | NAX | 0.409091 | 0.837209 |
122 | 4UW | 0.409091 | 0.825581 |
123 | F2R | 0.408805 | 0.850575 |
124 | RBY | 0.408759 | 0.843373 |
125 | ADV | 0.408759 | 0.843373 |
126 | P1H | 0.405882 | 0.818182 |
127 | OOB | 0.405594 | 0.864198 |
128 | A A | 0.40411 | 0.829268 |
129 | LAD | 0.40411 | 0.825581 |
130 | UPA | 0.403846 | 0.86747 |
131 | 4UU | 0.401316 | 0.833333 |
132 | GA7 | 0.401316 | 0.865854 |
133 | A3D | 0.401235 | 0.876543 |
134 | 80F | 0.401235 | 0.808989 |
135 | XAH | 0.4 | 0.806818 |
136 | DLL | 0.4 | 0.864198 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | OZ2 | 1 | 1 |
2 | P6L | 0.985915 | 1 |
3 | PGV | 0.971831 | 1 |
4 | DR9 | 0.971831 | 1 |
5 | PGW | 0.957747 | 1 |
6 | D3D | 0.957747 | 1 |
7 | PGT | 0.830986 | 0.977778 |
8 | LHG | 0.830986 | 0.977778 |
9 | LOP | 0.746835 | 0.830189 |
10 | 6OU | 0.746835 | 0.830189 |
11 | L9Q | 0.746835 | 0.830189 |
12 | P50 | 0.731707 | 0.826923 |
13 | CD4 | 0.72973 | 0.933333 |
14 | ZPE | 0.728395 | 0.830189 |
15 | 44G | 0.726027 | 0.977778 |
16 | PGK | 0.719512 | 0.916667 |
17 | PCW | 0.719512 | 0.706897 |
18 | P3A | 0.714286 | 0.956522 |
19 | D21 | 0.710526 | 0.913043 |
20 | DGG | 0.694118 | 0.916667 |
21 | B7N | 0.662791 | 0.843137 |
22 | GP7 | 0.659091 | 0.830189 |
23 | CN3 | 0.658537 | 0.933333 |
24 | PSC | 0.644444 | 0.706897 |
25 | CN6 | 0.634146 | 0.933333 |
26 | PEF | 0.632911 | 0.811321 |
27 | PEV | 0.632911 | 0.811321 |
28 | PTY | 0.632911 | 0.811321 |
29 | 8PE | 0.632911 | 0.811321 |
30 | PEH | 0.632911 | 0.811321 |
31 | P5S | 0.62963 | 0.826923 |
32 | PEE | 0.625 | 0.796296 |
33 | 9PE | 0.625 | 0.811321 |
34 | PEK | 0.617977 | 0.830189 |
35 | PX4 | 0.609756 | 0.689655 |
36 | PC7 | 0.609756 | 0.689655 |
37 | 6PL | 0.609756 | 0.689655 |
38 | HGX | 0.609756 | 0.689655 |
39 | PLD | 0.609756 | 0.689655 |
40 | HGP | 0.609756 | 0.689655 |
41 | LIO | 0.609756 | 0.689655 |
42 | PIE | 0.6 | 0.788462 |
43 | 6PH | 0.592105 | 0.891304 |
44 | LPP | 0.592105 | 0.891304 |
45 | F57 | 0.592105 | 0.891304 |
46 | 7PH | 0.592105 | 0.891304 |
47 | 3PH | 0.592105 | 0.891304 |
48 | PX8 | 0.584416 | 0.869565 |
49 | PX2 | 0.584416 | 0.869565 |
50 | 7P9 | 0.584416 | 0.891304 |
51 | S12 | 0.581395 | 0.826923 |
52 | L9R | 0.577778 | 0.666667 |
53 | POV | 0.577778 | 0.666667 |
54 | EPH | 0.57732 | 0.830189 |
55 | OLC | 0.573333 | 0.733333 |
56 | OLB | 0.573333 | 0.733333 |
57 | MVC | 0.573333 | 0.733333 |
58 | AGA | 0.571429 | 0.934783 |
59 | PA8 | 0.571429 | 0.869565 |
60 | XP5 | 0.566265 | 0.689655 |
61 | PII | 0.55814 | 0.823529 |
62 | 42H | 0.556818 | 0.741379 |
63 | CDL | 0.554217 | 0.847826 |
64 | 3TF | 0.547368 | 0.618182 |
65 | T7X | 0.546392 | 0.843137 |
66 | PD7 | 0.545455 | 0.891304 |
67 | NKP | 0.54321 | 0.913043 |
68 | PSF | 0.542169 | 0.826923 |
69 | 78M | 0.539474 | 0.733333 |
70 | 78N | 0.539474 | 0.733333 |
71 | PIZ | 0.538462 | 0.788462 |
72 | PCK | 0.537634 | 0.655738 |
73 | 1O2 | 0.536842 | 0.618182 |
74 | M7U | 0.529412 | 0.891304 |
75 | PIF | 0.52809 | 0.807692 |
76 | TGL | 0.527778 | 0.644444 |
77 | IP9 | 0.527473 | 0.788462 |
78 | HXG | 0.52381 | 0.689655 |
79 | PIO | 0.51087 | 0.807692 |
80 | 52N | 0.51087 | 0.807692 |
81 | 3PE | 0.505747 | 0.735849 |
82 | DGA | 0.5 | 0.688889 |
83 | DDR | 0.5 | 0.688889 |
84 | 44E | 0.5 | 0.891304 |
85 | L2C | 0.5 | 0.688889 |
86 | DLP | 0.5 | 0.666667 |
87 | 1EM | 0.5 | 0.688889 |
88 | FAW | 0.5 | 0.688889 |
89 | 1L2 | 0.495146 | 0.618182 |
90 | PDK | 0.490385 | 0.704918 |
91 | PC1 | 0.477778 | 0.649123 |
92 | PCF | 0.477778 | 0.649123 |
93 | MC3 | 0.477778 | 0.649123 |
94 | GGD | 0.472222 | 0.625 |
95 | BQ9 | 0.47191 | 0.711111 |
96 | LBR | 0.457831 | 0.638298 |
97 | LPC | 0.454545 | 0.724138 |
98 | LP3 | 0.454545 | 0.724138 |
99 | LAP | 0.454545 | 0.724138 |
100 | GYM | 0.453333 | 0.711111 |
101 | 1QW | 0.453333 | 0.711111 |
102 | PGM | 0.447059 | 0.913043 |
103 | NKO | 0.432099 | 0.891304 |
104 | NKN | 0.432099 | 0.891304 |
105 | SQD | 0.424242 | 0.630769 |
106 | 2JT | 0.418919 | 0.652174 |
107 | G2A | 0.418919 | 0.652174 |
108 | CN5 | 0.417582 | 0.913043 |
109 | DGD | 0.413462 | 0.607143 |
This union binding pocket(no: 1) in the query (biounit: 3oz2.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4OPC | PGT | 41.8136 |