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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1BTC | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
2 | 1WDS | - | BGC GLC | n/a | n/a |
3 | 1Q6D | Kd = 0.46 mM | GLC GLC | n/a | n/a |
4 | 1BYC | - | BGC GLC GLC GLC | n/a | n/a |
5 | 1V3H | - | GLC GLC GLC GLC GLC | n/a | n/a |
6 | 1BYD | - | RR7 GLC | n/a | n/a |
7 | 1Q6E | Kd = 2.4 mM | GLC GLC | n/a | n/a |
8 | 1BFN | Ki = 1.64 mM | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
9 | 1WDQ | Kd = 10.45 mM | GLC GLC | n/a | n/a |
10 | 1BYB | - | GLC GLC GLC GLC | n/a | n/a |
11 | 1WDR | Kd = 3.05 mM | GLC GLC GLC GLC | n/a | n/a |
12 | 1Q6C | Kd = 5.1 mM | GLC GLC | n/a | n/a |
13 | 1V3I | - | BGC GLC | n/a | n/a |
14 | 1Q6F | - | GLC BGC | n/a | n/a |
15 | 1Q6G | Kd = 8.8 mM | GLC GLC | n/a | n/a |
16 | 2XFF | - | BGC GLC AC1 | n/a | n/a |
17 | 2XGI | - | J5B | C10 H20 O7 | C[C@H](CCO.... |
18 | 2XFY | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
19 | 2XG9 | Ki = 70 uM | NOJ GLC | n/a | n/a |
20 | 1B1Y | - | BGC GLC | n/a | n/a |
21 | 5WQU | - | GLC GLC GLC GLC | n/a | n/a |
22 | 1FA2 | - | RR7 GLC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1BTC | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
2 | 1WDS | - | BGC GLC | n/a | n/a |
3 | 1Q6D | Kd = 0.46 mM | GLC GLC | n/a | n/a |
4 | 1BYC | - | BGC GLC GLC GLC | n/a | n/a |
5 | 1V3H | - | GLC GLC GLC GLC GLC | n/a | n/a |
6 | 1BYD | - | RR7 GLC | n/a | n/a |
7 | 1Q6E | Kd = 2.4 mM | GLC GLC | n/a | n/a |
8 | 1BFN | Ki = 1.64 mM | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
9 | 1WDQ | Kd = 10.45 mM | GLC GLC | n/a | n/a |
10 | 1BYB | - | GLC GLC GLC GLC | n/a | n/a |
11 | 1WDR | Kd = 3.05 mM | GLC GLC GLC GLC | n/a | n/a |
12 | 1Q6C | Kd = 5.1 mM | GLC GLC | n/a | n/a |
13 | 1V3I | - | BGC GLC | n/a | n/a |
14 | 1Q6F | - | GLC BGC | n/a | n/a |
15 | 1Q6G | Kd = 8.8 mM | GLC GLC | n/a | n/a |
16 | 2XFF | - | BGC GLC AC1 | n/a | n/a |
17 | 2XGI | - | J5B | C10 H20 O7 | C[C@H](CCO.... |
18 | 2XFY | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
19 | 2XG9 | Ki = 70 uM | NOJ GLC | n/a | n/a |
20 | 1B1Y | - | BGC GLC | n/a | n/a |
21 | 5WQU | - | GLC GLC GLC GLC | n/a | n/a |
22 | 1FA2 | - | RR7 GLC | n/a | n/a |
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 |
---|
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 | BGC GLC | 1.0000 |
2 | GLC GLC | 0.9998 |
3 | GLC BGC | 0.9911 |
4 | BGC BGC | 0.9873 |
5 | NOJ GLC | 0.9825 |
6 | RR7 GLC | 0.9809 |
7 | BGC GLA | 0.9666 |
8 | GDQ GLC | 0.9615 |
9 | TW7 GLC | 0.9579 |
10 | XXX | 0.9578 |
11 | GLF B8D | 0.9555 |
12 | GLC GLA | 0.9547 |
13 | BDF GLC | 0.9546 |
14 | RZM | 0.9514 |
15 | IFM MAN | 0.9463 |
16 | BMA MAN | 0.9454 |
17 | GLC 7LQ | 0.9446 |
18 | MA1 GLC | 0.9424 |
19 | MYG | 0.9420 |
20 | SGC GLC | 0.9405 |
21 | FRU GLC | 0.9377 |
22 | BMA GLA | 0.9347 |
23 | DMJ MAN | 0.9334 |
24 | GLC IFM | 0.9295 |
25 | GLC DMJ | 0.9284 |
26 | DGO MAN | 0.9279 |
27 | DGO Z61 | 0.9207 |
28 | 7D1 MAN | 0.9205 |
29 | MAN IFM | 0.9188 |
30 | MAN MAN | 0.9156 |
31 | MAN MNM | 0.9137 |
32 | XMM | 0.9115 |
33 | XYP GCU | 0.9108 |
34 | BGC GAL | 0.9101 |
35 | ZEL MAN | 0.9090 |
36 | VDM | 0.9087 |
37 | MAN G63 | 0.9067 |
38 | MAN GLC | 0.9060 |
39 | BQZ | 0.9052 |
40 | GLC GAL | 0.9028 |
41 | MMA MAN | 0.8988 |
42 | MBG GLA | 0.8977 |
43 | MA3 MA2 | 0.8973 |
44 | BMA IFM | 0.8954 |
45 | IFM BMA | 0.8954 |
46 | GLC EDO GLC | 0.8923 |
47 | BMA BMA | 0.8892 |
48 | OTU | 0.8852 |
49 | ADN | 0.8852 |
50 | BGC BMA | 0.8844 |
51 | GAL GAL | 0.8832 |
52 | IXM | 0.8825 |
53 | EKH | 0.8825 |
54 | NOS | 0.8823 |
55 | FTU | 0.8819 |
56 | ABL | 0.8812 |
57 | BGC OXZ | 0.8811 |
58 | TBN | 0.8807 |
59 | FM2 | 0.8802 |
60 | 5ID | 0.8800 |
61 | BMA BGC | 0.8796 |
62 | UA2 | 0.8780 |
63 | IFM BGC | 0.8776 |
64 | BEM BEM | 0.8769 |
65 | IMH | 0.8764 |
66 | 9DI | 0.8754 |
67 | GLA BEZ | 0.8752 |
68 | AD3 | 0.8747 |
69 | GAL FUC | 0.8747 |
70 | 9MR | 0.8746 |
71 | FMC | 0.8731 |
72 | BGC Z9D | 0.8723 |
73 | A | 0.8713 |
74 | BNY | 0.8697 |
75 | MG7 | 0.8695 |
76 | FMB | 0.8694 |
77 | Z5L MAN | 0.8687 |
78 | FM1 | 0.8686 |
79 | ZT2 | 0.8677 |
80 | Z4Y MAN | 0.8675 |
81 | GMP | 0.8669 |
82 | TOP | 0.8668 |
83 | 26A | 0.8666 |
84 | GAL GLA | 0.8663 |
85 | DY9 | 0.8657 |
86 | MTP | 0.8652 |
87 | DBM | 0.8649 |
88 | XYA | 0.8648 |
89 | GAT | 0.8646 |
90 | 2AX | 0.8635 |
91 | 145 | 0.8630 |
92 | TAL | 0.8626 |
93 | CWU | 0.8624 |
94 | 0B3 | 0.8621 |
95 | XYP AHR | 0.8621 |
96 | D09 | 0.8620 |
97 | PNA | 0.8615 |
98 | SGC BGC | 0.8602 |
99 | MHD GAL | 0.8589 |
100 | EMU | 0.8585 |
101 | DIF | 0.8584 |
102 | VHD | 0.8576 |
103 | XTS | 0.8573 |
104 | 51P | 0.8567 |
105 | QRP | 0.8563 |
106 | XYP XIM | 0.8560 |
107 | VXM | 0.8560 |
108 | MTH | 0.8557 |
109 | UJ6 | 0.8547 |
110 | ZT4 | 0.8532 |
111 | XYS XYS | 0.8518 |
112 | YIO GAL | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 1q6d.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |