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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 | 2HOZ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
2 | 2GSA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
3 | 3FQ8 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
4 | 3FQ7 | - | PXG | C15 H17 N2 O7 P | Cc1c(c(c(c.... |
5 | 2HP1 | - | EA5 | C13 H22 N3 O7 P | Cc1c(c(c(c.... |
6 | 3FQA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
7 | 3BS8 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2HOZ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
2 | 2GSA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
3 | 3FQ8 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
4 | 3FQ7 | - | PXG | C15 H17 N2 O7 P | Cc1c(c(c(c.... |
5 | 2HP1 | - | EA5 | C13 H22 N3 O7 P | Cc1c(c(c(c.... |
6 | 3BS8 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PMP | 1 | 1 |
2 | PXP | 0.7 | 0.888889 |
3 | GT1 | 0.673077 | 0.793103 |
4 | PLG | 0.57377 | 0.866667 |
5 | IN5 | 0.57377 | 0.912281 |
6 | P1T | 0.571429 | 0.825397 |
7 | PLR | 0.557692 | 0.781818 |
8 | 2BK | 0.553846 | 0.881356 |
9 | 2BO | 0.553846 | 0.881356 |
10 | TLP | 0.553846 | 0.881356 |
11 | PDD | 0.546875 | 0.881356 |
12 | PP3 | 0.546875 | 0.881356 |
13 | PDA | 0.546875 | 0.881356 |
14 | ILP | 0.544118 | 0.852459 |
15 | IK2 | 0.538462 | 0.825397 |
16 | 33P | 0.538462 | 0.896552 |
17 | PMH | 0.530303 | 0.742857 |
18 | 5PA | 0.530303 | 0.825397 |
19 | PLS | 0.530303 | 0.866667 |
20 | PLP | 0.527273 | 0.767857 |
21 | PPD | 0.522388 | 0.866667 |
22 | C6P | 0.522388 | 0.866667 |
23 | ORX | 0.521127 | 0.854839 |
24 | PXM | 0.52 | 0.735849 |
25 | PZP | 0.517857 | 0.836364 |
26 | PLA | 0.514706 | 0.8125 |
27 | PY5 | 0.514706 | 0.8125 |
28 | PL2 | 0.514286 | 0.84127 |
29 | QLP | 0.514286 | 0.815385 |
30 | PE1 | 0.513889 | 0.854839 |
31 | PPG | 0.513514 | 0.825397 |
32 | P0P | 0.508772 | 0.8 |
33 | HEY | 0.507042 | 0.8125 |
34 | PDG | 0.5 | 0.83871 |
35 | CBA | 0.5 | 0.83871 |
36 | EA5 | 0.5 | 0.828125 |
37 | 3LM | 0.5 | 0.787879 |
38 | 7XF | 0.5 | 0.83871 |
39 | 7TS | 0.5 | 0.702703 |
40 | PGU | 0.5 | 0.83871 |
41 | 9YM | 0.493151 | 0.868852 |
42 | DCS | 0.492958 | 0.712329 |
43 | PMG | 0.492958 | 0.787879 |
44 | LPI | 0.492958 | 0.776119 |
45 | LCS | 0.492958 | 0.675676 |
46 | 76U | 0.486111 | 0.825397 |
47 | PY6 | 0.486111 | 0.787879 |
48 | PL4 | 0.48 | 0.854839 |
49 | PSZ | 0.479452 | 0.8 |
50 | N5F | 0.479452 | 0.825397 |
51 | 0JO | 0.462687 | 0.714286 |
52 | 4LM | 0.462687 | 0.725806 |
53 | AN7 | 0.461538 | 0.741379 |
54 | PXG | 0.460526 | 0.866667 |
55 | RW2 | 0.460526 | 0.8 |
56 | FOO | 0.454545 | 0.75 |
57 | PL8 | 0.454545 | 0.732394 |
58 | NPL | 0.45 | 0.898305 |
59 | FEV | 0.449275 | 0.714286 |
60 | KAM | 0.448718 | 0.825397 |
61 | RMT | 0.448718 | 0.765625 |
62 | 1D0 | 0.444444 | 0.8 |
63 | 2B1 | 0.443038 | 0.690141 |
64 | 7B9 | 0.443038 | 0.764706 |
65 | P3D | 0.442857 | 0.85 |
66 | EVM | 0.442857 | 0.786885 |
67 | EPC | 0.439394 | 0.789474 |
68 | MP5 | 0.438596 | 0.728814 |
69 | PLP CYS | 0.43662 | 0.836066 |
70 | EXT | 0.432836 | 0.79661 |
71 | AQ3 | 0.426829 | 0.8125 |
72 | 2B6 | 0.426829 | 0.662162 |
73 | MPM | 0.414286 | 0.75 |
74 | F0G | 0.414286 | 0.762712 |
75 | PLP 2TL | 0.410959 | 0.85 |
76 | KOU | 0.408451 | 0.8 |
77 | PLP SEP | 0.405405 | 0.85 |
78 | PLP BH2 | 0.405405 | 0.85 |
79 | SEP PLP | 0.405405 | 0.85 |
80 | HCP | 0.402778 | 0.741935 |
81 | LEU PLP | 0.4 | 0.822581 |
82 | Z98 | 0.4 | 0.777778 |
83 | PFM | 0.4 | 0.770492 |
This union binding pocket(no: 1) in the query (biounit: 3bs8.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2Z9V | PXM | 1.02041 |
2 | 2FYF | PLP | 1.25628 |
3 | 1LC8 | 33P | 1.92308 |
4 | 3VP6 | HLD | 2.05479 |
5 | 1GCK | ASP PLP | 2.07792 |
6 | 5K8B | PDG | 2.23325 |
7 | 1PMO | PLR | 2.28311 |
8 | 1JS3 | PLP 142 | 2.28311 |
9 | 2OGA | PGU | 2.50627 |
10 | 3DR4 | G4M | 2.55754 |
11 | 6EWR | PMP | 2.57611 |
12 | 5NM7 | GLY | 2.63158 |
13 | 1M32 | PLP | 2.73224 |
14 | 4ZAH | T5K | 2.77778 |
15 | 4WXG | 2BO | 2.80374 |
16 | 2Q0D | ATP | 2.83286 |
17 | 1DJ9 | KAM | 2.86458 |
18 | 4HVK | PMP | 2.87958 |
19 | 6CD1 | PLS | 2.96804 |
20 | 6CD1 | PLG | 2.96804 |
21 | 5W19 | 9TD | 2.96804 |
22 | 2B56 | U5P | 2.96804 |
23 | 2B56 | UTP | 2.96804 |
24 | 5W71 | 9YM | 3.19635 |
25 | 5W71 | PLP | 3.19635 |
26 | 3FRK | TQP | 3.21716 |
27 | 1B9I | PXG | 3.35052 |
28 | 3ZRR | PXG | 3.38542 |
29 | 5GVL | GI8 | 3.42466 |
30 | 5GVL | PLG | 3.42466 |
31 | 5U23 | TQP | 3.66492 |
32 | 1K4M | CIT | 3.75587 |
33 | 1O69 | X04 | 4.56853 |
34 | 3B8X | G4M | 4.87179 |
35 | 4LNL | PLG | 5.1051 |
36 | 4LNL | 2BO | 5.1051 |
37 | 4LNL | 2BK | 5.1051 |
38 | 1DFO | PLG | 5.27578 |
39 | 1U08 | PLP | 5.44041 |
40 | 5W70 | 9YM | 5.8427 |
41 | 1MDZ | PLP | 5.85242 |
42 | 1MDZ | DCS | 5.85242 |
43 | 2FNU | PMP UD1 | 6.13333 |
44 | 1FWV | SGA MAG FUC | 6.71642 |
45 | 5TXR | PLP | 6.84932 |
46 | 3PD6 | PMP | 6.98254 |
47 | 3PDB | PMP | 6.98254 |
48 | 4K2M | O1G | 7.07763 |
49 | 1OXO | IK2 | 7.23192 |
50 | 1FC4 | AKB PLP | 9.22693 |
51 | 5M3Z | NLE | 9.29648 |
52 | 5M3Z | PY6 | 9.29648 |
53 | 5M3Z | PLP | 9.29648 |
54 | 1LW4 | PLP | 9.51009 |
55 | 1LW4 | TLP | 9.51009 |
56 | 5X2Z | 3LM | 9.799 |
57 | 5X30 | 7XF | 9.799 |
58 | 5X30 | 4LM | 9.799 |
59 | 3NUB | UD0 | 11.1421 |
60 | 1VJO | PLP | 11.1959 |
61 | 1E5F | PLP | 14.3564 |
62 | 4JCA | CIT | 14.3713 |
63 | 5DDW | 5B6 | 16.21 |
64 | 3WGC | PLG | 16.7155 |
65 | 6DND | PLP | 18.7348 |
66 | 2WK9 | PLG | 18.7661 |
67 | 2WK9 | PLP | 18.7661 |
68 | 2XBN | PMP | 21.5457 |
69 | 4ZSY | RW2 | 23.7443 |
70 | 2CJH | AKG | 24.0535 |
71 | 4BA5 | PXG | 28.7671 |
72 | 3A8U | PLP | 33.4076 |
73 | 6FYQ | PLP | 34.0183 |
74 | 2OAT | PFM | 34.0183 |
75 | 6CBN | OZY | 34.2466 |
76 | 5G09 | 6DF | 34.7032 |
77 | 5G4J | EXT | 34.7032 |
78 | 1ZC9 | PMP | 35.1039 |
79 | 4UOX | PLP | 35.8447 |
80 | 4UOX | PUT | 35.8447 |
81 | 4UOX | PLP PUT | 35.8447 |
82 | 5WYF | ILP | 36.5297 |
83 | 2R5C | C6P | 36.8298 |
84 | 2R5E | QLP | 36.8298 |
85 | 6CBO | DOW | 36.9021 |
86 | 4B98 | PXG | 37.2768 |
87 | 1MLY | ACZ PLP | 37.9953 |
88 | 4UHO | PLP | 38.1279 |
89 | 5KGS | 6SR | 38.5845 |
90 | 4E3Q | PMP | 39.2694 |
91 | 1SFF | IK2 | 39.4366 |
92 | 4ADC | PLP | 40.6404 |
93 | 2YKX | AKG | 47.2603 |
94 | 4AOA | IK2 | 48.8584 |
This union binding pocket(no: 2) in the query (biounit: 3bs8.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |