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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BMA | 1 | 1 |
2 | MAN | 1 | 1 |
3 | BGC GAL | 1 | 1 |
4 | WOO | 1 | 1 |
5 | GLC GLC | 1 | 1 |
6 | GXL | 1 | 1 |
7 | GLA | 1 | 1 |
8 | GAL GAL | 1 | 1 |
9 | ALL | 1 | 1 |
10 | GAL | 1 | 1 |
11 | BGC | 1 | 1 |
12 | GLC | 1 | 1 |
13 | GIV | 1 | 1 |
14 | FUB | 0.653846 | 0.866667 |
15 | BDR | 0.653846 | 0.866667 |
16 | 32O | 0.653846 | 0.866667 |
17 | AHR | 0.653846 | 0.866667 |
18 | Z6J | 0.653846 | 0.866667 |
19 | RIB | 0.653846 | 0.866667 |
20 | BGC GLC GLC GLC GLC GLC | 0.488889 | 0.848485 |
21 | BGC GLC GLC GLC GLC | 0.488889 | 0.848485 |
22 | EMZ | 0.472222 | 0.794118 |
23 | M6P | 0.461538 | 0.675 |
24 | BGP | 0.461538 | 0.675 |
25 | BG6 | 0.461538 | 0.675 |
26 | G6P | 0.461538 | 0.675 |
27 | M6D | 0.461538 | 0.675 |
28 | A6P | 0.461538 | 0.675 |
29 | 2H5 | 0.457143 | 0.875 |
30 | X6X | 0.457143 | 0.777778 |
31 | GCS | 0.457143 | 0.777778 |
32 | SHG | 0.457143 | 0.875 |
33 | 1GN | 0.457143 | 0.777778 |
34 | 95Z | 0.457143 | 0.777778 |
35 | G2F | 0.457143 | 0.875 |
36 | GAF | 0.457143 | 0.875 |
37 | G3F | 0.457143 | 0.875 |
38 | 2FG | 0.457143 | 0.875 |
39 | PA1 | 0.457143 | 0.777778 |
40 | GAL GLA | 0.454545 | 0.848485 |
41 | SGC BGC | 0.444444 | 0.8 |
42 | 3MG | 0.444444 | 0.875 |
43 | ZB1 | 0.444444 | 0.875 |
44 | YIO | 0.441176 | 0.870968 |
45 | 2GS | 0.432432 | 0.875 |
46 | AHR AHR | 0.428571 | 0.764706 |
47 | GLF | 0.428571 | 0.84375 |
48 | FUC GAL | 0.416667 | 0.848485 |
49 | GLC GLC GLC GLC BGC GLC GLC | 0.416667 | 0.848485 |
50 | MAN BMA BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
51 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
52 | BGC BGC BGC | 0.408163 | 0.848485 |
53 | BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
54 | SGC SGC BGC | 0.408163 | 0.8 |
55 | GLC BGC BGC BGC | 0.408163 | 0.848485 |
56 | BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
57 | BGC BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
58 | YIO GAL | 0.405405 | 0.771429 |
59 | NGA | 0.404762 | 0.7 |
60 | HSQ | 0.404762 | 0.7 |
61 | BM3 | 0.404762 | 0.7 |
62 | NDG | 0.404762 | 0.7 |
63 | A2G | 0.404762 | 0.7 |
64 | NAG | 0.404762 | 0.7 |
65 | AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
66 | AHR AHR AHR AHR | 0.4 | 0.764706 |
67 | AHR AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC GLC GLC | 1 | 1 |
2 | BGC BGC GLC BGC XYS BGC XYS XYS | 0.690141 | 0.972222 |
3 | MAN BMA BMA | 0.65625 | 1 |
4 | BGC GLC GLC | 0.651515 | 0.942857 |
5 | BGC BGC BGC XYS XYS GAL | 0.6375 | 0.972222 |
6 | GLC GLC GLC GLC GLC | 0.614286 | 0.942857 |
7 | BGC GLC GLC GLC | 0.614286 | 0.942857 |
8 | MAN MAN BMA | 0.602941 | 1 |
9 | BGC BGC BGC BGC | 0.597222 | 0.942857 |
10 | BMA MAN MAN | 0.573529 | 0.942857 |
11 | BGC BGC XYS XYS GAL | 0.573171 | 0.944444 |
12 | BGC BGC BGC XYS XYS GAL GAL | 0.573171 | 0.944444 |
13 | BGC GLC GLC GLC GLC GLC | 0.571429 | 0.942857 |
14 | BGC GLC GLC GLC GLC | 0.571429 | 0.942857 |
15 | BGC BGC XYS GAL | 0.552632 | 0.944444 |
16 | GLC GLC XYS XYS | 0.547945 | 0.916667 |
17 | BGC BGC XYS BGC XYS XYS GAL | 0.546512 | 0.944444 |
18 | BGC BGC BGC XYS | 0.538462 | 0.944444 |
19 | BGC BGC BGC XYS BGC XYS XYS | 0.5375 | 0.944444 |
20 | BGC BGC BGC XYS BGC XYS XYS GAL GAL | 0.534091 | 0.944444 |
21 | BGC BGC BGC XYS BGC XYS XYS GAL | 0.534091 | 0.944444 |
22 | MMA MAN | 0.53125 | 0.891892 |
23 | BMA BMA BMA BMA GLA | 0.52 | 0.942857 |
24 | GLC AGL | 0.514706 | 0.755556 |
25 | MMA MAN MAN | 0.513889 | 0.891892 |
26 | BGC BGC BGC XYS BGC XYS | 0.506173 | 0.944444 |
27 | BGC BGC BGC BGC BGC XYS | 0.493976 | 0.944444 |
28 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.493976 | 0.944444 |
29 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.493976 | 0.944444 |
30 | BGC BGC BGC XYS BGC XYS GAL | 0.488636 | 0.944444 |
31 | AHR AHR AHR AHR AHR | 0.484375 | 0.810811 |
32 | AHR AHR AHR AHR | 0.484375 | 0.810811 |
33 | AHR AHR AHR AHR AHR AHR | 0.484375 | 0.810811 |
34 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.480519 | 0.942857 |
35 | MAN MAN MAN MAN MAN MAN MAN | 0.47619 | 0.942857 |
36 | H1M MAN MAN | 0.474359 | 0.871795 |
37 | NBG BGC BGC XYS BGC XYS XYS | 0.47191 | 0.708333 |
38 | BMA MAN MAN MAN | 0.4625 | 0.868421 |
39 | MAN MAN MAN | 0.4625 | 0.916667 |
40 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.461538 | 0.66 |
41 | AHR AHR | 0.460317 | 0.810811 |
42 | G2F BGC BGC BGC BGC BGC | 0.453333 | 0.871795 |
43 | NAG BMA | 0.453333 | 0.693878 |
44 | NAG GAL BGC GAL | 0.440476 | 0.702128 |
45 | BMA MAN MAN MAN MAN | 0.440476 | 0.891892 |
46 | BMA NGT MAN MAN | 0.43956 | 0.634615 |
47 | BMA BMA BMA BMA GLA BMA GLA | 0.436782 | 0.868421 |
48 | GLC EDO GLC | 0.43662 | 0.944444 |
49 | FRU GLC GLA | 0.435897 | 0.846154 |
50 | NAG NAG BMA MAN MAN MAN MAN | 0.433962 | 0.673077 |
51 | NAG NAG MAN MAN MAN | 0.431579 | 0.66 |
52 | NOJ BGC | 0.430556 | 0.73913 |
53 | Z9N GLC | 0.430556 | 0.846154 |
54 | GLC FRU GLA GLA GLA | 0.43038 | 0.846154 |
55 | GLC FRU GLA GLA | 0.43038 | 0.846154 |
56 | QPU | 0.426829 | 0.772727 |
57 | IFM MAN | 0.424658 | 0.717391 |
58 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.418367 | 0.702128 |
59 | BGC GLA GAL | 0.41791 | 0.942857 |
60 | NGB | 0.414634 | 0.6 |
61 | GAL GLA | 0.411765 | 0.942857 |
62 | NOJ GLC | 0.410959 | 0.73913 |
63 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.408451 | 0.942857 |
64 | MAN BMA BMA BMA BMA BMA BMA | 0.408451 | 0.942857 |
65 | GLC GLC GLC GLC BGC GLC GLC | 0.408451 | 0.942857 |
66 | GLO BGC BGC XYS BGC XYS XYS | 0.408163 | 0.918919 |
67 | LSE | 0.407407 | 0.66 |
68 | BQZ | 0.40625 | 0.857143 |
69 | MAN MAN | 0.405797 | 0.942857 |
70 | GLC FRU GLA | 0.404762 | 0.846154 |
71 | BGC BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
72 | GLC BGC BGC BGC | 0.402778 | 0.942857 |
73 | BGC BGC BGC | 0.402778 | 0.942857 |
74 | BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
75 | BGC BGC BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
76 | 5QP | 0.402778 | 0.942857 |
77 | NAG BMA MAN MAN MAN MAN | 0.4 | 0.702128 |
78 | MGL GAL | 0.4 | 0.891892 |
79 | RZM | 0.4 | 0.695652 |
80 | GPM GLC | 0.4 | 0.733333 |
81 | BGC GAL GLA | 0.4 | 0.942857 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC GLC | 0.9998 |
2 | GLC BGC | 0.9998 |
3 | BGC BGC | 0.9995 |
4 | SHG BGC | 0.9950 |
5 | NOJ GLC | 0.9866 |
6 | TW7 GLC | 0.9819 |
7 | ABL | 0.9809 |
8 | RR7 GLC | 0.9769 |
9 | MAN GLC | 0.9758 |
10 | GLF B8D | 0.9725 |
11 | BGC Z9D | 0.9701 |
12 | BMA BGC | 0.9681 |
13 | VDM | 0.9677 |
14 | GDQ GLC | 0.9660 |
15 | GLC GLA | 0.9620 |
16 | MA1 GLC | 0.9606 |
17 | BDF GLC | 0.9563 |
18 | GCS GCS | 0.9561 |
19 | GLC IFM | 0.9533 |
20 | GLC DMJ | 0.9533 |
21 | GLC 7LQ | 0.9524 |
22 | 9MR | 0.9514 |
23 | BGC GLA | 0.9512 |
24 | PA1 GCS | 0.9485 |
25 | RZM | 0.9455 |
26 | GLC GAL | 0.9449 |
27 | FRU GLC | 0.9443 |
28 | 7D1 MAN | 0.9427 |
29 | BMA GAL | 0.9409 |
30 | SGC GLC | 0.9403 |
31 | IFM MAN | 0.9398 |
32 | MYG | 0.9392 |
33 | MAN IFM | 0.9389 |
34 | BGC OXZ | 0.9373 |
35 | BMA MAN | 0.9361 |
36 | DMJ MAN | 0.9357 |
37 | DGO Z61 | 0.9338 |
38 | MAN G63 | 0.9335 |
39 | DGO MAN | 0.9332 |
40 | MAN MNM | 0.9332 |
41 | MAN MAN | 0.9325 |
42 | MMA MAN | 0.9313 |
43 | BMA GLA | 0.9307 |
44 | IDC | 0.9300 |
45 | IFM BGC | 0.9298 |
46 | IFM BMA | 0.9239 |
47 | Z9N GLC | 0.9205 |
48 | GLA GLA | 0.9196 |
49 | ZEL MAN | 0.9192 |
50 | XYP GCU | 0.9176 |
51 | BMA BMA | 0.9164 |
52 | 3CU GLC | 0.9110 |
53 | GLC EDO GLC | 0.9109 |
54 | ISX | 0.9090 |
55 | MBG GLA | 0.9090 |
56 | BQZ | 0.9079 |
57 | NOJ BGC | 0.9076 |
58 | OTU | 0.9075 |
59 | RAM GAD | 0.9073 |
60 | XMM | 0.9058 |
61 | MAN BMA | 0.9057 |
62 | GCU BGC | 0.9050 |
63 | MA3 MA2 | 0.9031 |
64 | BEM BEM | 0.9025 |
65 | D2M | 0.9015 |
66 | 145 | 0.8995 |
67 | 7K2 | 0.8994 |
68 | BMA IFM | 0.8992 |
69 | FRU GAL | 0.8991 |
70 | BEM LGU | 0.8977 |
71 | IXM | 0.8972 |
72 | MHD GAL | 0.8955 |
73 | Z5L MAN | 0.8946 |
74 | NKH | 0.8934 |
75 | LG9 GLC | 0.8924 |
76 | XYP XYP | 0.8911 |
77 | GLC FRU | 0.8902 |
78 | GLC G6P | 0.8884 |
79 | MVL BMA | 0.8878 |
80 | GLO BGC | 0.8878 |
81 | ADA ADA | 0.8876 |
82 | MSX MAN | 0.8872 |
83 | GAL FUC | 0.8837 |
84 | GAA | 0.8830 |
85 | FEQ | 0.8815 |
86 | EGA GLA | 0.8808 |
87 | GLA BEZ | 0.8808 |
88 | GTR AQA | 0.8806 |
89 | GPM GLC | 0.8798 |
90 | DSQ | 0.8794 |
91 | TTZ | 0.8780 |
92 | DTK | 0.8775 |
93 | 6EN | 0.8773 |
94 | PNA | 0.8756 |
95 | NQK | 0.8729 |
96 | AHR FUB | 0.8724 |
97 | QRP | 0.8720 |
98 | 683 | 0.8717 |
99 | XYS XYS | 0.8713 |
100 | QUE | 0.8699 |
101 | 4P8 | 0.8697 |
102 | TOP | 0.8693 |
103 | JMS | 0.8692 |
104 | GTR ADA | 0.8684 |
105 | IW1 | 0.8683 |
106 | SDT | 0.8682 |
107 | NQE | 0.8678 |
108 | FHI | 0.8678 |
109 | FUB FUB | 0.8667 |
110 | PNW | 0.8665 |
111 | BNY | 0.8663 |
112 | 2AX | 0.8660 |
113 | IPD MAN | 0.8655 |
114 | ZT2 | 0.8651 |
115 | 1FL | 0.8650 |
116 | NE1 | 0.8648 |
117 | 581 | 0.8637 |
118 | 64I | 0.8635 |
119 | DIF | 0.8634 |
120 | A7M | 0.8603 |
121 | XTS | 0.8598 |
122 | GS1 GS1 | 0.8593 |
123 | 041 | 0.8588 |
124 | 6J3 | 0.8583 |
125 | BRY | 0.8579 |
126 | EZB | 0.8578 |
127 | AD3 | 0.8576 |
128 | 4GU | 0.8571 |
129 | CC6 | 0.8570 |
130 | BWG | 0.8568 |
131 | IW6 | 0.8568 |
132 | 6BK | 0.8562 |
133 | SMI | 0.8559 |
134 | DY9 | 0.8555 |
135 | 17C | 0.8553 |
136 | Q7U | 0.8547 |
137 | 3CA | 0.8521 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LAG | 0.9370 |
2 | XYP GLC GLC | 0.9331 |
3 | GLC DAF | 0.9325 |
4 | GLC AC1 | 0.9214 |
5 | XYS GLC GLC | 0.9182 |
6 | LM2 | 0.9162 |
7 | SOR GLC GLC | 0.8879 |
8 | BMA BMA BMA | 0.8877 |
9 | GLC BGC BGC | 0.8707 |
10 | GAL GAL GAL | 0.8638 |
This union binding pocket(no: 1) in the query (biounit: 5awq.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5X7Q | GLC GLC | 9.5082 |
2 | 5X7Q | GLC GLC | 9.5082 |
This union binding pocket(no: 2) in the query (biounit: 5awq.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |