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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 1331 families. | |||||
1 | 1FNZ | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 5KXE | Kd = 5.45 uM | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
3 | 5KXB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
4 | 5KXC | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
5 | 5KXD | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
6 | 4WV8 | - | GLC GAL | n/a | n/a |
7 | 4U2A | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 4U36 | - | SER A2G | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 5T55 | Kd = 0.68 nM | BGC GAL GLA NGA | n/a | n/a |
2 | 5T54 | Kd = 0.87 nM | GLA FUC A2G | n/a | n/a |
3 | 5T5J | Kd = 0.73 nM | ACA SER SER VAL GLY A2G | n/a | n/a |
4 | 5T52 | Kd = 0.54 nM | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
5 | 5T5L | Kd = 0.73 nM | ACE SER SER VAL GLY A2G | n/a | n/a |
6 | 5T5P | Kd = 0.71 nM | ACE SER THR VAL GLY A2G | n/a | n/a |
7 | 1FNZ | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 1S1A | - | MMA MAN | n/a | n/a |
9 | 2ARB | Ka = 26000 M^-1 | MAN NAG | n/a | n/a |
10 | 1N3Q | - | FRU GLC | n/a | n/a |
11 | 2AR6 | Ka = 63000 M^-1 | MAN MAN MAN NAG NAG | n/a | n/a |
12 | 1N3O | - | GYP | C7 H14 O6 | CO[C@@H]1[.... |
13 | 1N3P | - | GLC FRU | n/a | n/a |
14 | 2ARX | - | MAN MAN | n/a | n/a |
15 | 2ARE | Ka = 1900 M^-1 | MAN | C6 H12 O6 | C([C@@H]1[.... |
16 | 1LED | - | MAG GAL FUC FUC | n/a | n/a |
17 | 1GSL | - | MAG FUC GAL FUC | n/a | n/a |
18 | 1V00 | - | BGC GAL | n/a | n/a |
19 | 3N3H | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
20 | 3N36 | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
21 | 1AX0 | Ka = 1340 M^-1 | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
22 | 1UZY | - | BGC GAL | n/a | n/a |
23 | 1LTE | - | BGC GAL | n/a | n/a |
24 | 1AX1 | Ka = 1940 M^-1 | BGC GAL | n/a | n/a |
25 | 1AX2 | Ka = 9730 M^-1 | NDG GAL | n/a | n/a |
26 | 1GZC | Kd = 0.32 mM | BGC GAL | n/a | n/a |
27 | 3N35 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
28 | 1AXZ | Ka = 1570 M^-1 | GAL | C6 H12 O6 | C([C@@H]1[.... |
29 | 1GZ9 | Kd = 0.31 mM | BGC GAL FUC | n/a | n/a |
30 | 3ZYR | Kd = 4.6 uM | NAG ASN NAG BMA MAN MAN NAG NAG | n/a | n/a |
31 | 3ZVX | - | MAN MAN MAN | n/a | n/a |
32 | 5U38 | - | MMA MAN | n/a | n/a |
33 | 5KXE | Kd = 5.45 uM | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
34 | 5KXB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
35 | 5KXC | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
36 | 5KXD | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
37 | 4WV8 | - | GLC GAL | n/a | n/a |
38 | 4U2A | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
39 | 4U36 | - | SER A2G | n/a | n/a |
40 | 1JXN | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
41 | 3WCS | - | MAN NAG GAL | n/a | n/a |
42 | 3WOG | - | MAN NAG | n/a | n/a |
43 | 5EYX | - | MMA MAN | n/a | n/a |
44 | 5EYY | - | MMA MAN | n/a | n/a |
45 | 2BQP | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
46 | 5T7P | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
47 | 2DVA | - | MGC GAL | n/a | n/a |
48 | 6VC4 | Kd = 360 uM | QWG | C22 H37 N3 O14 S2 | CO[C@@H]1[.... |
49 | 6VGF | Kd = 180 uM | WA3 | C42 H68 N6 O27 S4 | c1c(nnn1C[.... |
50 | 2DV9 | - | GAL GAL | n/a | n/a |
51 | 1V6K | - | GLC GAL | n/a | n/a |
52 | 1V6L | - | BGC GAL | n/a | n/a |
53 | 2DVD | - | GAL GAL | n/a | n/a |
54 | 6VC3 | Kd = 482 uM | QWJ | C15 H24 O9 S2 | C#CCSC[C@@.... |
55 | 2TEP | - | NGA GAL | n/a | n/a |
56 | 6V95 | Kd = 495 uM | QSG | C32 H48 N10 O20 | c1c(nnn1[C.... |
57 | 6VAV | Kd = 690 uM | QTY | C32 H48 N10 O16 | c1c(nnn1[C.... |
58 | 2DVB | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
59 | 1V6I | - | GLC GAL | n/a | n/a |
60 | 6VAW | Kd = 1563 uM | S3W | C20 H33 N5 O12 | CO[C@@H]1[.... |
61 | 2PEL | Ki = 1.37 mM | BGC GAL | n/a | n/a |
62 | 1G9F | - | GAL NAG GAL NAG GAL | n/a | n/a |
63 | 2DTW | - | 2GS | C7 H14 O6 | CO[C@@H]1[.... |
64 | 1WBL | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
65 | 2ZMK | - | EGA GLA | n/a | n/a |
66 | 2D3S | - | SER A2G | n/a | n/a |
67 | 2FMD | - | MAN MAN | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GAL | 1.0000 |
2 | BGC GAL | 0.9939 |
3 | GLC BGC | 0.9708 |
4 | MGL GAL | 0.9644 |
5 | PA1 GCS | 0.9638 |
6 | BMA GAL | 0.9621 |
7 | BGC BGC | 0.9620 |
8 | BGC Z9D | 0.9601 |
9 | ABL | 0.9534 |
10 | SHG BGC | 0.9495 |
11 | FRU GAL | 0.9492 |
12 | NOY BGC | 0.9473 |
13 | GLC GLC | 0.9449 |
14 | GCS GCS | 0.9448 |
15 | BGC OXZ | 0.9401 |
16 | GCU BGC | 0.9395 |
17 | 9MR | 0.9371 |
18 | IFM BGC | 0.9339 |
19 | SGC BGC | 0.9325 |
20 | MGL SGC | 0.9323 |
21 | GAL NOK | 0.9310 |
22 | NOK GAL | 0.9310 |
23 | GAL NGT | 0.9309 |
24 | NGT GAL | 0.9309 |
25 | BMA BGC | 0.9303 |
26 | YIO GAL | 0.9301 |
27 | 145 | 0.9284 |
28 | NDG GAL | 0.9259 |
29 | FUC GAL | 0.9248 |
30 | NAG GAL | 0.9240 |
31 | GAL GC2 | 0.9214 |
32 | MAN BMA | 0.9167 |
33 | IDC | 0.9114 |
34 | GAL GAL | 0.9109 |
35 | BMA BMA | 0.9105 |
36 | LOG GAL | 0.9094 |
37 | ISX | 0.9080 |
38 | 43S | 0.9071 |
39 | GAL GLA | 0.9062 |
40 | IFM BMA | 0.9056 |
41 | BGC GLC | 0.9028 |
42 | 4WS GAL | 0.9010 |
43 | MHD GAL | 0.9006 |
44 | JRO | 0.8990 |
45 | MAV BEM | 0.8980 |
46 | BEM LGU | 0.8965 |
47 | A2G GAL | 0.8955 |
48 | MBG GAL | 0.8920 |
49 | NGA GAL | 0.8910 |
50 | MA1 GLC | 0.8908 |
51 | LAM | 0.8904 |
52 | 64I | 0.8886 |
53 | NAG GCD | 0.8880 |
54 | NAG GAD | 0.8880 |
55 | 6GR | 0.8879 |
56 | IXM | 0.8874 |
57 | NAG GC4 | 0.8870 |
58 | GAL FUC | 0.8851 |
59 | ZT2 | 0.8848 |
60 | GRI | 0.8844 |
61 | BQZ | 0.8840 |
62 | 636 | 0.8840 |
63 | BEM BEM | 0.8834 |
64 | CZ0 | 0.8829 |
65 | LG7 | 0.8823 |
66 | 683 | 0.8822 |
67 | DTK | 0.8806 |
68 | GWD | 0.8804 |
69 | 9CE | 0.8804 |
70 | TXQ | 0.8803 |
71 | BGC SGA | 0.8792 |
72 | MYG | 0.8786 |
73 | SGC GLC | 0.8781 |
74 | 19E | 0.8774 |
75 | 6EN | 0.8773 |
76 | EZB | 0.8771 |
77 | MNY | 0.8764 |
78 | MGC GAL | 0.8761 |
79 | 7D0 | 0.8752 |
80 | DSQ | 0.8745 |
81 | GCO GAL | 0.8744 |
82 | NXB | 0.8741 |
83 | BNY | 0.8738 |
84 | HFZ | 0.8738 |
85 | CC6 | 0.8737 |
86 | 38E | 0.8728 |
87 | HO4 | 0.8727 |
88 | XYS XYP | 0.8724 |
89 | HDU | 0.8722 |
90 | NDG GAD | 0.8710 |
91 | 9RM | 0.8706 |
92 | MMA XYP | 0.8705 |
93 | JMS | 0.8705 |
94 | 2HN | 0.8704 |
95 | 581 | 0.8703 |
96 | XYP XYP | 0.8698 |
97 | K3Q 7CV | 0.8695 |
98 | JY4 | 0.8693 |
99 | TGW | 0.8693 |
100 | MNX | 0.8689 |
101 | NOM | 0.8689 |
102 | GLO BGC | 0.8686 |
103 | LM7 | 0.8683 |
104 | AFX | 0.8680 |
105 | GAL NPO | 0.8676 |
106 | 147 | 0.8676 |
107 | 8SK | 0.8669 |
108 | DS8 | 0.8667 |
109 | 5I5 | 0.8667 |
110 | E3Y | 0.8667 |
111 | 43U | 0.8667 |
112 | E44 | 0.8663 |
113 | 553 | 0.8661 |
114 | CB1 | 0.8654 |
115 | XYP XIM | 0.8651 |
116 | MVL BMA | 0.8651 |
117 | 56N | 0.8651 |
118 | DNQ | 0.8650 |
119 | CJZ | 0.8648 |
120 | LUM | 0.8646 |
121 | HNA | 0.8645 |
122 | 17C | 0.8645 |
123 | EUN | 0.8642 |
124 | U19 | 0.8638 |
125 | LFN | 0.8636 |
126 | 1YE | 0.8634 |
127 | DY9 | 0.8632 |
128 | XYS XYS | 0.8625 |
129 | GMP | 0.8625 |
130 | 113 | 0.8625 |
131 | 47N | 0.8619 |
132 | MQS | 0.8605 |
133 | GAT | 0.8604 |
134 | B2X | 0.8603 |
135 | 041 | 0.8596 |
136 | TLF | 0.8594 |
137 | MTA | 0.8590 |
138 | 6J3 | 0.8588 |
139 | ID8 | 0.8585 |
140 | RPP | 0.8584 |
141 | XIF XYP | 0.8579 |
142 | XYP XYS | 0.8575 |
143 | XDL XYP | 0.8574 |
144 | 1FL | 0.8564 |
145 | BZC | 0.8559 |
146 | B2L | 0.8554 |
147 | LOX XYP | 0.8551 |
148 | WS6 | 0.8541 |
149 | 8WB | 0.8538 |
150 | FHI | 0.8535 |
151 | GN6 | 0.8535 |
152 | ZJB | 0.8531 |
153 | ADN | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 4u36.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |