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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 AC1 | 1 | 1 |
2 | GLC GLC GLC GLC BGC GLC GLC | 0.637931 | 0.744186 |
3 | MAN BMA BMA BMA BMA BMA BMA | 0.637931 | 0.744186 |
4 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.637931 | 0.744186 |
5 | BGC GLC AGL GLC HMC AGL | 0.614458 | 0.875 |
6 | G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D | 0.569231 | 0.727273 |
7 | GLC AGL | 0.555556 | 0.911111 |
8 | BMA BMA BMA BMA | 0.552239 | 0.744186 |
9 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.552239 | 0.744186 |
10 | GLC GLC GLC GLC GLC | 0.542857 | 0.744186 |
11 | BGC GLC GLC GLC | 0.542857 | 0.744186 |
12 | GAL GLC GLD ACI | 0.538462 | 0.933333 |
13 | GLC GAL BGC FUC | 0.536232 | 0.767442 |
14 | BGC GAL FUC | 0.536232 | 0.767442 |
15 | BMA BMA BMA BMA GLA | 0.535211 | 0.744186 |
16 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.535211 | 0.744186 |
17 | TXT | 0.531646 | 0.888889 |
18 | BGC GLC AGL GLC GLC GLC | 0.531646 | 0.913043 |
19 | BGC GAL NGA | 0.520548 | 0.851064 |
20 | GLC GLC GLC GLC GLC GLC AC1 | 0.512195 | 0.893617 |
21 | GLC GLC GLC AC1 | 0.512195 | 0.893617 |
22 | BGC BGC BGC XYS | 0.493506 | 0.711111 |
23 | BGC GAL NGA GAL | 0.493506 | 0.851064 |
24 | BGC GAL GLA | 0.492537 | 0.744186 |
25 | BGC GLC AC1 GLC GLC GLC AC1 | 0.488372 | 0.893617 |
26 | GLC GLC GLC G6D ACI GLC GLC | 0.488372 | 0.933333 |
27 | BGC G6D GLC ACI G6D ACI | 0.488372 | 0.893617 |
28 | GLC GLC GLC DAF DAF | 0.488372 | 0.893617 |
29 | BGC GLC GLC | 0.485714 | 0.744186 |
30 | BGC GAL FUC GLA | 0.480519 | 0.767442 |
31 | BGC Z9D | 0.476923 | 0.727273 |
32 | BGC GLA GAL | 0.47541 | 0.744186 |
33 | BGC DAF | 0.474359 | 0.933333 |
34 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.469136 | 0.711111 |
35 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.469136 | 0.711111 |
36 | BGC BGC BGC BGC BGC XYS | 0.469136 | 0.711111 |
37 | GLC AGL HMC | 0.469136 | 0.795918 |
38 | ARE | 0.466667 | 0.851064 |
39 | AAO | 0.466667 | 0.851064 |
40 | GLC GLC AGL HMC GLC | 0.466667 | 0.893617 |
41 | GLC GLC G6D GLC ACI GLC | 0.466667 | 0.893617 |
42 | BGC GLC GLD GLC ACI GLD GLC ACI G6D | 0.466667 | 0.875 |
43 | GLC GLC AC1 GLC GLC GLC | 0.466667 | 0.893617 |
44 | G2F SHG BGC BGC | 0.463768 | 0.680851 |
45 | BGC GAL GLA NGA | 0.463415 | 0.851064 |
46 | ACG | 0.461538 | 0.851064 |
47 | GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI | 0.461538 | 0.857143 |
48 | GLC AC1 GLC AC1 | 0.461538 | 0.857143 |
49 | GLC GLC G6D GLC ACI G6D ACI | 0.461538 | 0.857143 |
50 | BGC GAL GLA NGA GAL | 0.457831 | 0.851064 |
51 | 7SA | 0.456522 | 0.816327 |
52 | BGC BGC BGC XYS BGC XYS | 0.444444 | 0.711111 |
53 | MAN BMA BMA | 0.442857 | 0.711111 |
54 | GLC BGC G6D ACI | 0.44186 | 0.933333 |
55 | BGC BGC BGC XYS BGC XYS XYS | 0.439024 | 0.711111 |
56 | MGL GAL | 0.430769 | 0.75 |
57 | GLC GLC AGL HMC | 0.428571 | 0.795918 |
58 | BGC BGC BGC XYS XYS GAL GAL | 0.425287 | 0.711111 |
59 | BGC FUC GAL | 0.424658 | 0.767442 |
60 | G2F BGC BGC BGC BGC BGC | 0.424658 | 0.666667 |
61 | GLC BGC FUC GAL | 0.424658 | 0.767442 |
62 | BGC 5VQ GAL GLA | 0.422535 | 0.717391 |
63 | GLC GLC G6D ACI | 0.422222 | 0.893617 |
64 | BGC GLC AC1 GLC AC1 | 0.42 | 0.823529 |
65 | BGC GLC DAF GLC GLC GLC DAF | 0.42 | 0.823529 |
66 | FUC GAL | 0.41791 | 0.744186 |
67 | BGC BGC BGC XYS BGC XYS GAL | 0.41573 | 0.711111 |
68 | BGC GAL NAG GAL FUC | 0.413043 | 0.833333 |
69 | GLC GLC FRU | 0.4125 | 0.666667 |
70 | BGC GAL FUC A2G | 0.411111 | 0.833333 |
71 | GTM BGC BGC GDA | 0.409639 | 0.893617 |
72 | BGC GAL NAG GAL | 0.409639 | 0.851064 |
73 | MGL SGC | 0.405797 | 0.702128 |
74 | GLF B8D | 0.405797 | 0.666667 |
75 | GLC NBU GAL GLA | 0.405405 | 0.6875 |
76 | BGC GAL NAG | 0.402439 | 0.851064 |
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 | GLC GLC GLC GLC | 0.9642 |
2 | GLC GLC DAF | 0.8669 |
This union binding pocket(no: 1) in the query (biounit: 1k1y.bio3) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1k1y.bio3) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |