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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 62 families. | |||||
1 | 1QKZ | - | ALA ASN GLY GLY ALA SER GLY GLN VAL LYS | n/a | n/a |
2 | 2HVK | - | TBA | C16 H36 N | CCCC[N+](C.... |
3 | 4MA7 | - | P2Z | C17 H20 N2 S | CN(C)CCCN1.... |
4 | 4UUJ | - | XA7 | C24 H52 N | CCCCCC[N+].... |
5 | 2DWE | - | TBA | C16 H36 N | CCCC[N+](C.... |
6 | 1MJJ | Kd = 1.83 nM | HAL | C23 H29 N2 O7 P | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1039 families. | |||||
1 | 3U7Y | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
2 | 1NC4 | - | DOF | C23 H33 N5 O10 | c1cc(ccc1C.... |
3 | 5DS8 | - | GLY 5CT GLY ALA | n/a | n/a |
4 | 5DRN | - | 5CT | C10 H23 N3 O3 | C(CCNC[C@H.... |
5 | 3KDM | Kd = 0.1 uM | TES | C19 H28 O2 | C[C@]12CC[.... |
6 | 1NC2 | - | DOE | C27 H41 N5 O10 S | c1cc(ccc1C.... |
7 | 2HVK | - | TBA | C16 H36 N | CCCC[N+](C.... |
8 | 5DUB | - | GLY 5GG GLY ALA | n/a | n/a |
9 | 5MES | ic50 = 0.045 uM | 7LT | C44 H49 Cl2 N5 O4 | CN1CCCN[C@.... |
10 | 6FS0 | Kd = 0.00017 uM | E4W | C35 H34 Cl N5 O3 S2 | Cc1c-2c(nn.... |
11 | 5BJZ | - | MAL | C12 H22 O11 | C([C@@H]1[.... |
12 | 3PGF | - | GLC GLC | n/a | n/a |
13 | 1FE8 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
14 | 3LEV | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
15 | 1E4X | Kd = 25 nM | VAL VAL SER HIS PHE ASN ASP | n/a | n/a |
16 | 4MA7 | - | P2Z | C17 H20 N2 S | CN(C)CCCN1.... |
17 | 4MA8 | - | Z80 | C17 H19 Cl N2 S | CN(C)CCCN1.... |
18 | 4DVR | - | 0LY | C17 H24 Br N3 O2 | CC1(CC(CC(.... |
19 | 4UUJ | - | XA7 | C24 H52 N | CCCCCC[N+].... |
20 | 2DWE | - | TBA | C16 H36 N | CCCC[N+](C.... |
21 | 1MJJ | Kd = 1.83 nM | HAL | C23 H29 N2 O7 P | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HAL | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 1mjj.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1X0P | FAD | None |
2 | 2D6M | LBT | 1.88679 |
3 | 1Y0G | 8PP | 2.6178 |
4 | 2XMY | CDK | 2.73973 |
5 | 5FS0 | 5JC | 2.8436 |
6 | 4FFG | LBS | 3.04878 |
7 | 2WEL | K88 | 3.19635 |
8 | 4A34 | FUL | 3.40136 |
9 | 5V3D | FCN | 3.44828 |
10 | 4FHD | EEM | 3.52423 |
11 | 4FHD | 0TT | 3.52423 |
12 | 6HLY | G9Z | 3.52423 |
13 | 1ELI | PYC | 3.65297 |
14 | 3EW2 | BTN | 3.7037 |
15 | 2VFK | AMP | 3.90244 |
16 | 1EB9 | HBA | 3.96476 |
17 | 2JIG | PD2 | 4.01786 |
18 | 1QY1 | PRZ | 4.02299 |
19 | 4D4U | FUC GAL NAG | 4.10959 |
20 | 4P42 | PEE | 4.10959 |
21 | 2OCI | TYC | 4.10959 |
22 | 4D4U | FUC GAL | 4.10959 |
23 | 3AVR | OGA | 4.10959 |
24 | 4JH6 | FCN | 4.34783 |
25 | 1DZT | ATY | 4.37158 |
26 | 3H55 | GLA | 4.40529 |
27 | 5L2R | MLA | 4.40529 |
28 | 3NNF | AKG | 4.40529 |
29 | 2X34 | UQ8 | 4.41989 |
30 | 4RQL | SNE | 4.56621 |
31 | 5TVM | PUT | 4.70588 |
32 | 5OO5 | UUA | 4.83871 |
33 | 5OES | ADP | 4.84582 |
34 | 3M3E | GAL A2G NPO | 4.96894 |
35 | 4EE7 | PIS | 5.02283 |
36 | 4N14 | WR7 | 5.02283 |
37 | 4MA6 | 28E | 5.09554 |
38 | 6FOF | LAT | 5.10204 |
39 | 4H6B | 10Y | 5.12821 |
40 | 4H6B | 10X | 5.12821 |
41 | 4MJ0 | BGC SIA SIA GAL | 5.28634 |
42 | 5V1B | 8UY | 5.28634 |
43 | 4MJ0 | SIA SIA | 5.28634 |
44 | 5GLT | BGC GAL NAG GAL | 5.47945 |
45 | 3X01 | AMP | 5.47945 |
46 | 4RW3 | IPD | 5.47945 |
47 | 3PPQ | CHT | 5.47945 |
48 | 4NZF | ARB | 5.47945 |
49 | 4IGH | FMN | 5.47945 |
50 | 4IGH | ORO | 5.47945 |
51 | 4IGH | 1EA | 5.47945 |
52 | 5UN9 | NHT | 5.47945 |
53 | 4D1J | DGJ | 5.47945 |
54 | 4O9S | 2RY | 5.5814 |
55 | 4H69 | 10Y | 5.6701 |
56 | 1CEB | AMH | 5.68182 |
57 | 3WV6 | GAL BGC | 5.72687 |
58 | 4WOE | ADP | 5.72687 |
59 | 3WV6 | GAL GLC | 5.72687 |
60 | 1I7E | IBS | 5.93607 |
61 | 5EO8 | TFU | 6.1674 |
62 | 1REQ | DCA | 6.1674 |
63 | 2YNE | NHW | 6.1674 |
64 | 2YNE | YNE | 6.1674 |
65 | 4POS | NAG SIA GAL | 6.1674 |
66 | 5VX9 | FUC GAL NAG GAL BGC | 6.21118 |
67 | 4MNS | 2AX | 6.28931 |
68 | 4LIT | AKG | 6.39269 |
69 | 5DRB | 5FJ | 6.39269 |
70 | 2R5V | HHH | 6.39269 |
71 | 2NZ2 | CIR | 6.39269 |
72 | 5ZMY | TAR | 6.39269 |
73 | 2YFO | GLA | 6.60793 |
74 | 2YFO | GAL | 6.60793 |
75 | 3PUA | OGA | 6.60793 |
76 | 2HZQ | STR | 6.60793 |
77 | 1XNK | XS2 | 6.60793 |
78 | 1IS3 | LAT | 6.66667 |
79 | 4BKS | X6C | 6.73077 |
80 | 5EZU | MYR | 6.74157 |
81 | 2ZHL | NAG GAL GAL NAG | 6.75676 |
82 | 1J3R | 6PG | 6.84211 |
83 | 4D52 | GIV | 6.84932 |
84 | 4D52 | GXL | 6.84932 |
85 | 4XCB | AKG | 6.84932 |
86 | 3ZW0 | FUC | 6.89655 |
87 | 2GC0 | PAN | 6.91489 |
88 | 4O12 | 2QG | 7.04846 |
89 | 6D61 | 4AA | 7.17949 |
90 | 5O5Y | GLC | 7.30594 |
91 | 2VQ5 | LDP | 7.46269 |
92 | 2VGD | XYP XYP | 7.48899 |
93 | 5YAS | FAC | 7.48899 |
94 | 4EKV | BTN | 7.54717 |
95 | 3R4S | SIA | 7.76256 |
96 | 1Z03 | OCH | 7.76256 |
97 | 4WN5 | MVC | 7.82609 |
98 | 4EUO | ABU | 7.92952 |
99 | 6EXF | LYS | 8.21918 |
100 | 5LY1 | PPI | 8.21918 |
101 | 4CT7 | TRP | 8.6758 |
102 | 2CDO | GAL AAL GAL AAL GAL AAL | 8.75 |
103 | 3SAO | NKN | 8.75 |
104 | 3SAO | DBH | 8.75 |
105 | 3ZGJ | RMN | 8.81057 |
106 | 2XN2 | GLA | 9.13242 |
107 | 1ULE | GLA GAL NAG | 9.33333 |
108 | 4GGZ | BTN | 9.56522 |
109 | 4IGQ | OGA | 9.58904 |
110 | 5H9Q | TD2 | 9.67742 |
111 | 5T7I | LAT NAG GAL | 9.67742 |
112 | 5JSP | DQY | 9.69163 |
113 | 4B1M | FRU FRU | 9.72973 |
114 | 5FPX | GLY SER SER HIS HIS HIS HIS HIS | 9.73451 |
115 | 4Y24 | TD2 | 9.74026 |
116 | 2VFT | SOR | 10.0457 |
117 | 6GVD | FDK | 10.0457 |
118 | 5Y72 | DST | 10.0457 |
119 | 3A6T | 8OG | 10.0775 |
120 | 3WG3 | A2G GAL NAG FUC | 10.1124 |
121 | 5FAL | COA | 10.1322 |
122 | 5FAL | SKT | 10.1322 |
123 | 3HQR | OGA | 10.1322 |
124 | 4BCS | BTN | 10.4 |
125 | 1W6P | NDG GAL | 10.4478 |
126 | 3OYW | TDG | 10.4478 |
127 | 1GZW | GAL BGC | 10.4478 |
128 | 3RDO | BTN | 10.4575 |
129 | 4K55 | H6P | 10.4839 |
130 | 5ISY | NAD | 10.5023 |
131 | 5NLD | LBT | 10.7914 |
132 | 5VGS | 9A7 | 10.828 |
133 | 5A6B | OAN | 10.9589 |
134 | 3ZDS | OMD | 11.0132 |
135 | 4WVW | SLT | 11.1111 |
136 | 5I8T | LAC | 11.1732 |
137 | 3ZXE | PGZ | 11.2782 |
138 | 5ML3 | DL3 | 11.4094 |
139 | 5E62 | Z3Q GAL 5N6 | 11.4537 |
140 | 5E65 | 5N6 GAL | 11.4537 |
141 | 2ARC | ARA | 11.5854 |
142 | 1ERB | ETR | 12.0219 |
143 | 3STK | PLM | 12.1212 |
144 | 6F7X | MFU | 12.2222 |
145 | 5Y4K | AKR | 12.3348 |
146 | 2P7Q | GG6 | 12.782 |
147 | 5TBM | 79A | 12.8205 |
148 | 1XE7 | GUN | 13.3005 |
149 | 1SR9 | KIV | 13.6564 |
150 | 3NV3 | GAL NAG MAN | 13.7681 |
151 | 4JNJ | BTN | 13.913 |
152 | 3QRC | SCR | 14.0127 |
153 | 5TPV | TYD | 15.0327 |
154 | 5KAX | RHQ | 15.0602 |
155 | 4CSD | MFU | 15.0685 |
156 | 3FW4 | CAQ | 15.7303 |
157 | 3U6W | KIV | 15.9817 |
158 | 6CZI | 38E | 16.0714 |
159 | 1WW5 | SGA BGC | 16.25 |
160 | 5IXG | OTP | 17.1598 |
161 | 4JD3 | COA | 19.6347 |
162 | 4JD3 | PLM | 19.6347 |
163 | 4RYV | ZEA | 20.6452 |
164 | 4M1U | A2G MBG | 31.4286 |
165 | 4YEE | 4CQ | 32.2222 |
166 | 5J75 | 6GQ | 37.8855 |
167 | 4GQP | B40 | 38.3562 |
168 | 4H0I | MMA | 44.2922 |
This union binding pocket(no: 2) in the query (biounit: 1mjj.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5EW9 | 5VC | 2.73973 |
2 | 4BG4 | ADP | 3.19635 |
3 | 6E08 | NAP | 3.19635 |
4 | 3PUR | 2HG | 3.65297 |
5 | 5IXH | OTP | 4.34783 |
6 | 2X32 | OTP | 4.46927 |
7 | 2WSA | MYA | 4.56621 |
8 | 2WSA | 646 | 4.56621 |
9 | 2Y7P | SAL | 4.58716 |
10 | 1ZB6 | GST | 4.84582 |
11 | 1ZB6 | DIN | 4.84582 |
12 | 4QYS | PLP SEP | 5.02283 |
13 | 4MJ0 | SIA SIA GAL | 5.28634 |
14 | 3ITA | AIC | 5.47945 |
15 | 1UAS | GLA | 5.93607 |
16 | 3VV1 | GAL FUC | 6.25 |
17 | 2XIQ | MLC | 6.84932 |
18 | 3ANY | 2A3 | 6.84932 |
19 | 1OFZ | FUL | 7.30594 |
20 | 2VQ5 | HBA | 7.46269 |
21 | 4J36 | FAD | 7.76256 |
22 | 4J36 | 1HR | 7.76256 |
23 | 1DZK | PRZ | 8.9172 |
24 | 5VGS | 9A4 | 10.828 |
25 | 3ZDS | HMQ | 11.0132 |
26 | 4C2V | YJA | 11.3636 |
27 | 3A23 | GAL | 11.4155 |
28 | 4GLW | 0XT | 11.4155 |
29 | 1SWG | BTN | 11.4537 |
30 | 2GJ5 | VD3 | 11.7284 |
31 | 4CQB | MLI | 11.8721 |
32 | 6CC0 | EWM | 13.2159 |
33 | 4R3U | 3KK | 13.6986 |
34 | 4R3U | 3HC | 13.6986 |
35 | 5FU3 | BGC BGC BGC | 16.9811 |