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- Structure Biounit | Ligand Information
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No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC BGC | 1.0000 |
2 | GLC GLC | 0.9998 |
3 | BGC BGC | 0.9986 |
4 | BGC GLC | 0.9911 |
5 | PA1 GCS | 0.9868 |
6 | SHG BGC | 0.9861 |
7 | ABL | 0.9815 |
8 | NOJ GLC | 0.9792 |
9 | NOY BGC | 0.9717 |
10 | GLC GAL | 0.9708 |
11 | GCS GCS | 0.9690 |
12 | GLF B8D | 0.9632 |
13 | BGC GLA | 0.9606 |
14 | BGC GAL | 0.9596 |
15 | BMA BGC | 0.9584 |
16 | BGC Z9D | 0.9568 |
17 | GLC GLA | 0.9522 |
18 | BGC OXZ | 0.9520 |
19 | SGC BGC | 0.9514 |
20 | TW7 GLC | 0.9510 |
21 | 9MR | 0.9504 |
22 | IFM BGC | 0.9445 |
23 | GCU BGC | 0.9440 |
24 | BMA BMA | 0.9437 |
25 | NOJ BGC | 0.9391 |
26 | IFM BMA | 0.9375 |
27 | IDC | 0.9364 |
28 | BMA GAL | 0.9356 |
29 | MGL GAL | 0.9356 |
30 | BMA GLA | 0.9348 |
31 | ISX | 0.9333 |
32 | BMA MAN | 0.9300 |
33 | RR7 GLC | 0.9279 |
34 | IFM MAN | 0.9235 |
35 | LAM | 0.9219 |
36 | NGT GAL | 0.9214 |
37 | GAL NGT | 0.9214 |
38 | MAN BMA | 0.9187 |
39 | FRU GLC | 0.9174 |
40 | RZM | 0.9169 |
41 | U2A BGC | 0.9156 |
42 | BDF GLC | 0.9145 |
43 | FRU GAL | 0.9142 |
44 | DMJ MAN | 0.9116 |
45 | GLA GAL | 0.9096 |
46 | BEM BEM | 0.9079 |
47 | GAL BGC | 0.9075 |
48 | BEM LGU | 0.9067 |
49 | GAL NOK | 0.9064 |
50 | NOK GAL | 0.9064 |
51 | GLC IFM | 0.9051 |
52 | MA1 GLC | 0.9048 |
53 | GLC 7LQ | 0.9047 |
54 | MYG | 0.9042 |
55 | GDQ GLC | 0.9035 |
56 | MAV BEM | 0.9007 |
57 | D2M | 0.9003 |
58 | XMM | 0.9003 |
59 | GLO BGC | 0.8972 |
60 | DGO Z61 | 0.8961 |
61 | DGO MAN | 0.8948 |
62 | PNJ | 0.8942 |
63 | MMA MAN | 0.8942 |
64 | 7K2 | 0.8934 |
65 | MVL BMA | 0.8926 |
66 | GLC DMJ | 0.8920 |
67 | VDM | 0.8915 |
68 | GS1 GS1 | 0.8911 |
69 | XYP GCU | 0.8910 |
70 | XYP XYP | 0.8904 |
71 | 145 | 0.8894 |
72 | C3G | 0.8892 |
73 | 7D1 MAN | 0.8883 |
74 | NDG GAL | 0.8879 |
75 | BQZ | 0.8866 |
76 | MMA XYP | 0.8866 |
77 | MAN GLC | 0.8860 |
78 | FUC GAL | 0.8856 |
79 | NAG GAL | 0.8850 |
80 | XYS XYP | 0.8847 |
81 | MAN IFM | 0.8842 |
82 | AFX | 0.8825 |
83 | NAB | 0.8823 |
84 | VXM | 0.8810 |
85 | 6GR | 0.8808 |
86 | DS8 | 0.8806 |
87 | K3Q 7CV | 0.8805 |
88 | BMA MVL | 0.8798 |
89 | 64I | 0.8796 |
90 | IW1 | 0.8791 |
91 | PNA | 0.8788 |
92 | MXA | 0.8783 |
93 | EZB | 0.8770 |
94 | MA3 MA2 | 0.8767 |
95 | 7WD | 0.8758 |
96 | Z15 | 0.8757 |
97 | DMB | 0.8747 |
98 | TOP | 0.8742 |
99 | Y3J | 0.8739 |
100 | XYP XDN | 0.8736 |
101 | 581 | 0.8731 |
102 | GAL FUC | 0.8723 |
103 | LG7 | 0.8723 |
104 | XIL | 0.8720 |
105 | GAL GAL | 0.8718 |
106 | GAL PHB | 0.8717 |
107 | XDN XYP | 0.8715 |
108 | XYS XYS | 0.8701 |
109 | HO4 | 0.8697 |
110 | XDL XYP | 0.8692 |
111 | 4WS GAL | 0.8688 |
112 | 38E | 0.8680 |
113 | ZT2 | 0.8679 |
114 | ADN | 0.8672 |
115 | 1FL | 0.8670 |
116 | ZJB | 0.8667 |
117 | MG7 | 0.8661 |
118 | YIO GAL | 0.8660 |
119 | INI | 0.8655 |
120 | VXP | 0.8653 |
121 | XYP XYS | 0.8652 |
122 | LM7 | 0.8650 |
123 | FHI | 0.8645 |
124 | Z4Y MAN | 0.8644 |
125 | 5N5 | 0.8639 |
126 | 683 | 0.8637 |
127 | XYP XIM | 0.8637 |
128 | 636 | 0.8634 |
129 | GLA BEZ | 0.8633 |
130 | MHB | 0.8630 |
131 | 5FD | 0.8626 |
132 | T5J | 0.8619 |
133 | QRP | 0.8616 |
134 | 5CD | 0.8612 |
135 | QUE | 0.8607 |
136 | TYP | 0.8607 |
137 | LVY | 0.8602 |
138 | 147 | 0.8601 |
139 | GWD | 0.8589 |
140 | 6WL | 0.8586 |
141 | CC6 | 0.8583 |
142 | 4GU | 0.8579 |
143 | 2QU | 0.8578 |
144 | KTM | 0.8577 |
145 | 6J3 | 0.8575 |
146 | RPP | 0.8575 |
147 | UX0 | 0.8572 |
148 | 041 | 0.8571 |
149 | 2QV | 0.8564 |
150 | 36K | 0.8558 |
151 | 17C | 0.8556 |
152 | 5P7 | 0.8550 |
153 | 8WB | 0.8548 |
154 | NBZ GLA | 0.8548 |
155 | 5ID | 0.8545 |
156 | TTZ | 0.8542 |
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: 3mkk.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5NN6 | MIG | 34.5345 |
2 | 4AMW | 5DI | 38.5886 |
3 | 5DKY | NOJ | 41.1411 |
4 | 3WEO | GLC GLC GLC GLC GLC GLC AC1 | 44.7447 |
5 | 3LPP | KTL | 45.4955 |
6 | 3LPP | KTL | 45.4955 |
7 | 5H9O | GLC | 46.8468 |
8 | 5HJO | DGO Z61 | 46.8468 |
9 | 5H9O | GLC | 46.8468 |
This union binding pocket(no: 2) in the query (biounit: 3mkk.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5NN6 | MIG | 34.5345 |
2 | 4AMW | 5DI | 38.5886 |
3 | 5DKY | NOJ | 41.1411 |
4 | 4B9Z | GLC GLC AC1 | 44.4444 |
5 | 3WEO | GLC GLC GLC GLC GLC GLC AC1 | 44.7447 |
6 | 3LPP | KTL | 45.4955 |
7 | 3LPP | KTL | 45.4955 |
8 | 5H9O | GLC | 46.8468 |
9 | 5HJO | DGO Z61 | 46.8468 |