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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 280 families. | |||||
1 | 3DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
2 | 4DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
3 | 1DMS | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
4 | 1E5V | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
5 | 1E18 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
6 | 1H5N | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
7 | 1E61 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
8 | 1DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
9 | 1E60 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
10 | 1EU1 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 187 families. | |||||
1 | 3DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
2 | 4DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
3 | 1DMS | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
4 | 1E5V | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
5 | 1E18 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
6 | 1H5N | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
7 | 1E61 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
8 | 1DMR | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
9 | 1E60 | - | PGD | C20 H24 N10 O13 P2 S2 | c1nc2c(n1[.... |
10 | 1TMO | - | 2MD | C20 H28 N10 O13 P2 S2 | c1nc2c(n1[.... |
11 | 1EU1 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PGD | 1 | 1 |
2 | GP3 | 0.612613 | 0.925926 |
3 | MGD | 0.606061 | 0.963855 |
4 | GNH | 0.60177 | 0.91358 |
5 | G1R | 0.6 | 0.91358 |
6 | GDP | 0.59292 | 0.925 |
7 | GTP | 0.591304 | 0.925 |
8 | GSP | 0.581197 | 0.926829 |
9 | GCP | 0.57265 | 0.902439 |
10 | Y9Z | 0.572581 | 0.840909 |
11 | G2R | 0.570248 | 0.891566 |
12 | GNP | 0.567797 | 0.902439 |
13 | 9GM | 0.567797 | 0.902439 |
14 | 5GP | 0.5625 | 0.9125 |
15 | G | 0.5625 | 0.9125 |
16 | GMV | 0.550847 | 0.902439 |
17 | GAV | 0.545455 | 0.938272 |
18 | YGP | 0.539683 | 0.904762 |
19 | 6CK | 0.539062 | 0.892857 |
20 | 2MD | 0.536765 | 0.963855 |
21 | GKE | 0.535433 | 0.914634 |
22 | GDD | 0.535433 | 0.914634 |
23 | GDC | 0.535433 | 0.914634 |
24 | GDR | 0.53125 | 0.914634 |
25 | GFB | 0.53125 | 0.914634 |
26 | GTG | 0.53125 | 0.892857 |
27 | GKD | 0.530769 | 0.914634 |
28 | JB2 | 0.530769 | 0.914634 |
29 | GPG | 0.528 | 0.914634 |
30 | G3A | 0.527132 | 0.925926 |
31 | GPD | 0.526718 | 0.882353 |
32 | GP2 | 0.525424 | 0.891566 |
33 | G5P | 0.523077 | 0.925926 |
34 | G2P | 0.516393 | 0.891566 |
35 | GDX | 0.515152 | 0.925926 |
36 | NGD | 0.514706 | 0.914634 |
37 | JB3 | 0.507353 | 0.903614 |
38 | MD1 | 0.5 | 0.940476 |
39 | ALF 5GP | 0.5 | 0.827586 |
40 | FEG | 0.492754 | 0.840909 |
41 | ZGP | 0.489209 | 0.873563 |
42 | GDP AF3 | 0.488189 | 0.827586 |
43 | GDP ALF | 0.488189 | 0.827586 |
44 | ALF GDP | 0.488189 | 0.827586 |
45 | CAG | 0.482517 | 0.842697 |
46 | CG2 | 0.475177 | 0.915663 |
47 | TPG | 0.472973 | 0.846154 |
48 | FE9 | 0.472603 | 0.840426 |
49 | U2G | 0.471429 | 0.915663 |
50 | PGD O | 0.469799 | 0.91954 |
51 | G3D | 0.468254 | 0.9125 |
52 | 0O2 | 0.458015 | 0.9125 |
53 | GDP 7MG | 0.455882 | 0.869048 |
54 | DBG | 0.453333 | 0.903614 |
55 | G G | 0.451852 | 0.902439 |
56 | GMP | 0.451327 | 0.814815 |
57 | G4P | 0.449612 | 0.9125 |
58 | GH3 | 0.44186 | 0.901235 |
59 | G4M | 0.433962 | 0.842697 |
60 | 3GP | 0.429752 | 0.876543 |
61 | GCP G | 0.422222 | 0.853659 |
62 | AKW | 0.42069 | 0.894118 |
63 | G1G | 0.417219 | 0.882353 |
64 | U A G G | 0.416107 | 0.890244 |
65 | DGT | 0.415385 | 0.857143 |
66 | GPX | 0.413534 | 0.876543 |
67 | GPC | 0.413333 | 0.862069 |
68 | A G | 0.409396 | 0.890244 |
69 | G A A A | 0.409396 | 0.879518 |
70 | 2GP | 0.406504 | 0.888889 |
71 | DGI | 0.40625 | 0.857143 |
72 | R5I | 0.4 | 0.876543 |
73 | R7I | 0.4 | 0.876543 |
This union binding pocket(no: 1) in the query (biounit: 1dmr.bio1) has 66 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3ERR | AMP | 1.1194 |
2 | 5DNK | SAH | 1.44404 |
3 | 4KIB | SAH | 1.68067 |
4 | 2ZWA | SAH | 1.72662 |
5 | 5KOK | SAH | 1.8226 |
6 | 4KRG | SAH | 1.93133 |
7 | 5YF1 | SFG | 1.9337 |
8 | 4R6W | SAH | 1.93798 |
9 | 1ZQ9 | SAM | 2.10526 |
10 | 1V6A | TRE | 2.10843 |
11 | 5W7K | SAH | 2.24359 |
12 | 3LST | SAH | 2.30863 |
13 | 2JHP | SAH | 2.32919 |
14 | 1XTP | SAI | 2.3622 |
15 | 3DMH | SAM | 2.3622 |
16 | 3FZG | SAM | 2.5 |
17 | 5MGZ | SAH | 2.54237 |
18 | 6EQS | BV8 | 2.54545 |
19 | 3RIY | NAD | 2.5641 |
20 | 5BW4 | SAM | 2.62172 |
21 | 3H8V | ATP | 2.73973 |
22 | 5WP5 | SAH | 2.85132 |
23 | 1QAN | SAH | 2.86885 |
24 | 4K91 | SIN | 2.89017 |
25 | 2J0W | ASP | 2.89532 |
26 | 3EGI | ADP | 2.91262 |
27 | 3TLJ | SAH | 2.94906 |
28 | 1RJW | ETF | 2.94985 |
29 | 4M3P | HCS | 2.95567 |
30 | 5XNC | MTA | 2.96496 |
31 | 2C49 | ADN | 2.98013 |
32 | 2Z49 | AMG | 3.00926 |
33 | 1SQF | SAM | 3.0303 |
34 | 3O7W | SAM | 3.06122 |
35 | 4V3C | C | 3.09278 |
36 | 6ECU | SAH | 3.16456 |
37 | 5E72 | SAM | 3.17919 |
38 | 1KYQ | NAD | 3.28467 |
39 | 6HOY | AR6 | 3.31126 |
40 | 5E1M | SAH | 3.3195 |
41 | 5E1M | PRO PRO LYS ARG ILE ALA | 3.3195 |
42 | 1ZGS | XMM | 3.3557 |
43 | 5GM1 | SAH | 3.367 |
44 | 3ZG6 | APR | 3.37838 |
45 | 5FTW | SAH | 3.51562 |
46 | 3QPB | URA | 3.5461 |
47 | 4M73 | M72 | 3.56083 |
48 | 4M73 | SAH | 3.56083 |
49 | 2QQF | A1R | 3.57143 |
50 | 2OD9 | A1R NCA | 3.57143 |
51 | 3R4S | SLB | 3.61174 |
52 | 3NJQ | NJQ | 3.62694 |
53 | 2IRY | DGT | 3.63036 |
54 | 3F5A | SIA GAL NAG | 3.65854 |
55 | 1L7N | ALF | 3.79147 |
56 | 1TPY | SAH | 3.83275 |
57 | 2AOT | SAH | 4.10959 |
58 | 3U31 | NAD | 4.13793 |
59 | 1KPH | SAH | 4.18118 |
60 | 1KPG | SAH | 4.18118 |
61 | 4RL4 | PPV | 4.24528 |
62 | 3ZO7 | K6H | 4.25532 |
63 | 5AHN | IMP | 4.29448 |
64 | 2NXE | SAM | 4.33071 |
65 | 2CYB | TYR | 4.33437 |
66 | 3G2O | SAM | 4.34783 |
67 | 3G89 | SAM | 4.41767 |
68 | 1JZN | BGC GAL | 4.44444 |
69 | 2FK8 | SAM | 4.71698 |
70 | 1UKG | MMA | 4.7619 |
71 | 1Q8V | MAN MAN | 4.7619 |
72 | 2PHU | MAN MAN | 4.7619 |
73 | 2PHX | MAN MAN | 4.7619 |
74 | 1Q8O | MAN MMA | 4.7619 |
75 | 6GKV | SAH | 4.8433 |
76 | 5N5D | SAM | 4.86726 |
77 | 5WP4 | SAH | 4.88798 |
78 | 3P2E | SAH | 4.88889 |
79 | 2Q28 | ADP | 4.96454 |
80 | 4OBW | SAM | 5.05837 |
81 | 4KRI | SAH | 5.08083 |
82 | 5N53 | 8NB | 5.12821 |
83 | 3GFB | NAD | 5.14286 |
84 | 3VSE | SAH | 5.27638 |
85 | 3GWZ | SAH | 5.42005 |
86 | 3MB5 | SAM | 5.4902 |
87 | 3OFK | SAH | 5.55556 |
88 | 1W55 | GPP | 5.66038 |
89 | 6FDF | SAH | 5.98802 |
90 | 1H0H | 2MD | 6.07533 |
91 | 1H0H | MGD | 6.07533 |
92 | 5E9W | SAH | 6.41026 |
93 | 5E8J | SAH | 6.41026 |
94 | 1LSS | NAD | 6.42857 |
95 | 1P1C | SAH | 6.53266 |
96 | 4RDH | AMP | 6.59722 |
97 | 4RDI | ATP | 6.59722 |
98 | 4I5I | NAD | 6.62021 |
99 | 6DUB | SAH | 6.75676 |
100 | 4KXQ | APR | 6.76157 |
101 | 4D79 | ATP | 6.88406 |
102 | 3FGZ | BEF | 7.03125 |
103 | 2J5B | TYE | 7.18391 |
104 | 5BSZ | SAH | 7.2 |
105 | 1YRO | UDP | 7.31707 |
106 | 1DCP | HBI | 7.69231 |
107 | 1L5Y | BEF | 7.74194 |
108 | 1WHT | BZS | 7.84314 |
109 | 3TKY | SAH | 7.88043 |
110 | 1RJD | SAM | 8.08383 |
111 | 4QTU | SAM | 8.17308 |
112 | 3T7S | SAM | 8.20895 |
113 | 1S7G | NAD | 8.3004 |
114 | 3LCC | SAH | 8.51064 |
115 | 1DJL | NAP | 8.69565 |
116 | 1VKF | CIT | 9.04255 |
117 | 1KJ1 | MAN | 9.17431 |
118 | 1M2K | APR | 9.23695 |
119 | 1D4O | NAP | 9.78261 |
120 | 1IM8 | SAI | 9.83607 |
121 | 1L1E | SAH | 10.1045 |
122 | 1P31 | EPU | 10.3158 |
123 | 1P3D | UMA | 10.3158 |
124 | 2ZIF | SAM | 10.4377 |
125 | 4IWN | GEK | 10.4803 |
126 | 2CYC | TYR | 10.6667 |
127 | 3BGD | SAH | 10.7692 |
128 | 6FTB | M0E | 10.9524 |
129 | 5X62 | SAH | 11.0837 |
130 | 1ZEI | CRS | 11.3208 |
131 | 3PNA | CMP | 11.6883 |
132 | 5A3B | APR | 12.8713 |
133 | 1R27 | MGD | 13.1227 |
134 | 6CZ7 | MGD | 13.8821 |
135 | 2VT3 | ATP | 13.9535 |
136 | 2IVF | MD1 | 16.2819 |
137 | 2IVF | MGD | 16.2819 |
138 | 4IF4 | BEF | 18.2692 |
139 | 1KQF | MGD | 19.0765 |
140 | 5ZZ6 | ADP | 20.1923 |
141 | 4II2 | ATP | 20.4819 |
142 | 1PNO | NAP | 22.2222 |
143 | 2OOR | TXP | 22.9885 |
144 | 6F5Z | SAH | 24.5902 |
145 | 2NYA | MGD | 33.7121 |
146 | 3ML1 | MGD | 35.4115 |
147 | 2IV2 | MGD | 40.8392 |
148 | 2IV2 | 2MD | 40.8392 |
149 | 2E7Z | MGD | 41.1279 |
150 | 2V3V | MGD | 42.8769 |