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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1MBB | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
2 | 1UXY | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 2MBR | - | 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 3 families. | |||||
1 | 1MBB | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
2 | 1UXY | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 2MBR | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
4 | 4JB1 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
5 | 4JAY | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EEB | 1 | 1 |
2 | EPZ | 0.873786 | 0.985714 |
3 | UMA | 0.803571 | 0.985714 |
4 | EPU | 0.747748 | 0.944444 |
5 | UD2 | 0.742857 | 0.971429 |
6 | UD1 | 0.742857 | 0.971429 |
7 | MJZ | 0.706422 | 0.930556 |
8 | UAG | 0.703125 | 0.932432 |
9 | HP7 | 0.697248 | 0.957143 |
10 | UD7 | 0.666667 | 0.971429 |
11 | U21 | 0.664 | 0.897436 |
12 | U20 | 0.664 | 0.897436 |
13 | F5G | 0.654867 | 0.971429 |
14 | F5P | 0.654867 | 0.957747 |
15 | UD4 | 0.654867 | 0.957747 |
16 | UML | 0.654676 | 0.873418 |
17 | UFM | 0.644231 | 0.957143 |
18 | UPG | 0.644231 | 0.957143 |
19 | GDU | 0.644231 | 0.957143 |
20 | UDZ | 0.632479 | 0.87013 |
21 | UGB | 0.614679 | 0.942857 |
22 | UGA | 0.614679 | 0.942857 |
23 | U22 | 0.612403 | 0.875 |
24 | UPF | 0.611111 | 0.905405 |
25 | U2F | 0.611111 | 0.905405 |
26 | AWU | 0.607477 | 0.957143 |
27 | UFG | 0.59633 | 0.905405 |
28 | UDM | 0.587719 | 0.930556 |
29 | HWU | 0.584746 | 0.917808 |
30 | 12V | 0.584746 | 0.917808 |
31 | UDX | 0.581818 | 0.929577 |
32 | UAD | 0.581818 | 0.929577 |
33 | UGF | 0.580357 | 0.891892 |
34 | USQ | 0.571429 | 0.814815 |
35 | UDP | 0.554455 | 0.901408 |
36 | UTP | 0.553398 | 0.901408 |
37 | UD0 | 0.553191 | 0.860759 |
38 | G3N | 0.552632 | 0.90411 |
39 | U5F | 0.548077 | 0.901408 |
40 | 660 | 0.540541 | 0.916667 |
41 | URM | 0.540541 | 0.916667 |
42 | 3UC | 0.534483 | 0.905405 |
43 | 4RA | 0.528169 | 0.871795 |
44 | UPU | 0.527778 | 0.928571 |
45 | IUG | 0.524194 | 0.804878 |
46 | UNP | 0.523364 | 0.876712 |
47 | UDH | 0.504425 | 0.833333 |
48 | UAG API | 0.5 | 0.871795 |
49 | U5P | 0.49505 | 0.887324 |
50 | U | 0.49505 | 0.887324 |
51 | UPP | 0.491228 | 0.902778 |
52 | UDP GAL | 0.487179 | 0.929577 |
53 | 2KH | 0.477064 | 0.876712 |
54 | C5G | 0.470588 | 0.905405 |
55 | 2QR | 0.468531 | 0.839506 |
56 | 44P | 0.466667 | 0.864865 |
57 | Y6W | 0.457627 | 0.88 |
58 | UMA FGA LYS DAL DAL | 0.45509 | 0.839506 |
59 | UDP UDP | 0.453704 | 0.873239 |
60 | 2GW | 0.452381 | 0.917808 |
61 | UP5 | 0.44697 | 0.822785 |
62 | 4TC | 0.42963 | 0.802469 |
63 | 1GW | 0.428571 | 0.881579 |
64 | CSV | 0.425197 | 0.844156 |
65 | CSQ | 0.425197 | 0.844156 |
66 | URI | 0.424242 | 0.828571 |
67 | FZK | 0.415254 | 0.752941 |
68 | PMP UD1 | 0.414474 | 0.85 |
69 | LSU | 0.413223 | 0.735632 |
70 | CJB | 0.411765 | 0.814286 |
71 | 491 | 0.411215 | 0.71831 |
72 | CXY | 0.408 | 0.88 |
73 | U3P | 0.401869 | 0.873239 |
74 | UA3 | 0.401869 | 0.873239 |
75 | YSU | 0.401575 | 0.724138 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAS | 1 | 1 |
2 | FAD | 1 | 1 |
3 | FAY | 0.859259 | 0.9875 |
4 | RFL | 0.852941 | 0.963855 |
5 | UBG | 0.845588 | 0.987654 |
6 | 6FA | 0.794118 | 0.987654 |
7 | FAE | 0.751773 | 0.987654 |
8 | SFD | 0.651007 | 0.860215 |
9 | FDA | 0.641892 | 0.906977 |
10 | FNK | 0.602564 | 0.876405 |
11 | JNT | 0.598425 | 0.876543 |
12 | FAJ | 0.57485 | 0.97561 |
13 | 62F | 0.572327 | 0.939024 |
14 | F2N | 0.566265 | 0.886364 |
15 | FMN | 0.543307 | 0.876543 |
16 | FA9 | 0.526316 | 0.939759 |
17 | 6YU | 0.516304 | 0.860215 |
18 | CNV FAD | 0.511905 | 0.908046 |
19 | P6G FDA | 0.511628 | 0.908046 |
20 | FAD NBT | 0.508876 | 0.83871 |
21 | A2D | 0.504065 | 0.875 |
22 | DAL FAD PER | 0.491429 | 0.836957 |
23 | P5F | 0.491329 | 0.941176 |
24 | FAD CNX | 0.488506 | 0.8125 |
25 | APR | 0.488372 | 0.851852 |
26 | AR6 | 0.488372 | 0.851852 |
27 | FAD T2C | 0.485876 | 0.819149 |
28 | AGS | 0.484615 | 0.811765 |
29 | M33 | 0.484375 | 0.864198 |
30 | BA3 | 0.484127 | 0.875 |
31 | ATP | 0.48062 | 0.851852 |
32 | HEJ | 0.48062 | 0.851852 |
33 | B4P | 0.480315 | 0.875 |
34 | ADP | 0.480315 | 0.851852 |
35 | AP5 | 0.480315 | 0.875 |
36 | ANP | 0.477273 | 0.831325 |
37 | 5FA | 0.476923 | 0.851852 |
38 | AQP | 0.476923 | 0.851852 |
39 | 48N | 0.469388 | 0.902439 |
40 | OAD | 0.467626 | 0.876543 |
41 | 9X8 | 0.467626 | 0.833333 |
42 | FAD NBA | 0.467033 | 0.793814 |
43 | GTA | 0.465753 | 0.892857 |
44 | AT4 | 0.465116 | 0.821429 |
45 | AN2 | 0.465116 | 0.841463 |
46 | HQG | 0.463235 | 0.841463 |
47 | AD9 | 0.462121 | 0.831325 |
48 | 3OD | 0.460993 | 0.876543 |
49 | RBF | 0.460938 | 0.790123 |
50 | FB0 | 0.460606 | 0.835165 |
51 | 139 | 0.460526 | 0.858824 |
52 | AP0 | 0.46 | 0.835294 |
53 | A22 | 0.459854 | 0.864198 |
54 | ACP | 0.458015 | 0.853659 |
55 | 8QN | 0.456522 | 0.864198 |
56 | PRX | 0.454545 | 0.831325 |
57 | A3R | 0.453237 | 0.86747 |
58 | A1R | 0.453237 | 0.86747 |
59 | G3A | 0.452055 | 0.902439 |
60 | T5A | 0.45098 | 0.872093 |
61 | G5P | 0.44898 | 0.902439 |
62 | ATF | 0.448529 | 0.821429 |
63 | 50T | 0.44697 | 0.819277 |
64 | OZV | 0.446043 | 0.851852 |
65 | 6YZ | 0.445255 | 0.853659 |
66 | ACQ | 0.444444 | 0.853659 |
67 | ADQ | 0.442857 | 0.853659 |
68 | PAJ | 0.442857 | 0.847059 |
69 | KMQ | 0.441379 | 0.843373 |
70 | 8LE | 0.441176 | 0.855422 |
71 | 5AL | 0.441176 | 0.864198 |
72 | ADX | 0.439394 | 0.775281 |
73 | CA0 | 0.439394 | 0.853659 |
74 | 8LQ | 0.438849 | 0.865854 |
75 | QA7 | 0.438849 | 0.855422 |
76 | A4P | 0.437909 | 0.831461 |
77 | 25L | 0.4375 | 0.864198 |
78 | P33 FDA | 0.436464 | 0.817204 |
79 | KG4 | 0.43609 | 0.853659 |
80 | 5SV | 0.435714 | 0.793103 |
81 | 8LH | 0.434783 | 0.843373 |
82 | OMR | 0.434211 | 0.818182 |
83 | TXE | 0.434211 | 0.890244 |
84 | 45A | 0.434109 | 0.829268 |
85 | ABM | 0.434109 | 0.829268 |
86 | AMP | 0.433071 | 0.82716 |
87 | A | 0.433071 | 0.82716 |
88 | 4AD | 0.432624 | 0.855422 |
89 | ADJ | 0.432258 | 0.818182 |
90 | B5M | 0.431507 | 0.878049 |
91 | B5Y | 0.431507 | 0.878049 |
92 | BIS | 0.430556 | 0.802326 |
93 | DJC FAD | 0.43 | 0.827957 |
94 | SRA | 0.429688 | 0.788235 |
95 | AFH | 0.42953 | 0.825581 |
96 | DND | 0.427632 | 0.865854 |
97 | TXD | 0.427632 | 0.890244 |
98 | UP5 | 0.427632 | 0.878049 |
99 | 6V0 | 0.427632 | 0.857143 |
100 | DQV | 0.426667 | 0.8875 |
101 | SRP | 0.42446 | 0.843373 |
102 | PR8 | 0.423611 | 0.837209 |
103 | TAT | 0.423358 | 0.821429 |
104 | T99 | 0.423358 | 0.821429 |
105 | AMO | 0.422535 | 0.865854 |
106 | PTJ | 0.42069 | 0.835294 |
107 | TXA | 0.42069 | 0.865854 |
108 | FYA | 0.42069 | 0.864198 |
109 | CNA | 0.420382 | 0.865854 |
110 | AHX | 0.41958 | 0.835294 |
111 | 00A | 0.41958 | 0.823529 |
112 | AMP MG | 0.418605 | 0.814815 |
113 | MAP | 0.41844 | 0.811765 |
114 | NAI | 0.418301 | 0.845238 |
115 | AU1 | 0.41791 | 0.831325 |
116 | A12 | 0.416667 | 0.843373 |
117 | AP2 | 0.416667 | 0.843373 |
118 | 9ZD | 0.415493 | 0.845238 |
119 | 25A | 0.415493 | 0.851852 |
120 | 9ZA | 0.415493 | 0.845238 |
121 | COD | 0.415094 | 0.842697 |
122 | 4TC | 0.412903 | 0.879518 |
123 | APC | 0.411765 | 0.843373 |
124 | ME8 | 0.410959 | 0.806818 |
125 | 1ZZ | 0.410959 | 0.806818 |
126 | NB8 | 0.410959 | 0.835294 |
127 | ADP BEF | 0.410448 | 0.82716 |
128 | ADP MG | 0.410448 | 0.82716 |
129 | DJ0 FAD | 0.41 | 0.865169 |
130 | 4UW | 0.409091 | 0.825581 |
131 | NAX | 0.409091 | 0.837209 |
132 | F2R | 0.408805 | 0.850575 |
133 | ADV | 0.408759 | 0.843373 |
134 | RBY | 0.408759 | 0.843373 |
135 | VO4 ADP | 0.407143 | 0.809524 |
136 | P1H | 0.405882 | 0.818182 |
137 | BEF ADP | 0.405797 | 0.807229 |
138 | OOB | 0.405594 | 0.864198 |
139 | LAD | 0.40411 | 0.825581 |
140 | UPA | 0.403846 | 0.86747 |
141 | 4UU | 0.401316 | 0.833333 |
142 | GA7 | 0.401316 | 0.865854 |
143 | A3D | 0.401235 | 0.876543 |
144 | 80F | 0.401235 | 0.808989 |
145 | DLL | 0.4 | 0.864198 |
146 | XAH | 0.4 | 0.806818 |
147 | V2G | 0.4 | 0.857143 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FDA T2C | 0.8610 |
This union binding pocket(no: 1) in the query (biounit: 2mbr.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2mbr.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |