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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 9 families. | |||||
1 | 1CS4 | ic50 = 2.7 uM | 101 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
2 | 1AZS | - | GSP | C10 H16 N5 O13 P3 S | c1nc2c(n1[.... |
3 | 1CUL | - | 3PO | H5 O10 P3 | OP(=O)(O)O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 1CS4 | ic50 = 2.7 uM | 101 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
2 | 1AZS | - | GSP | C10 H16 N5 O13 P3 S | c1nc2c(n1[.... |
3 | 1CUL | - | 3PO | H5 O10 P3 | OP(=O)(O)O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 101 | 1 | 1 |
2 | 103 | 0.7 | 0.875 |
3 | 3L1 | 0.617647 | 0.833333 |
4 | 3D1 | 0.617647 | 0.833333 |
5 | D5M | 0.613333 | 0.943662 |
6 | DA | 0.613333 | 0.943662 |
7 | DAT | 0.580247 | 0.917808 |
8 | ZDA | 0.566265 | 0.851351 |
9 | AS | 0.564103 | 0.893333 |
10 | 5F1 | 0.555556 | 0.767123 |
11 | DTP | 0.552941 | 0.917808 |
12 | 2AM | 0.539474 | 0.902778 |
13 | 3AM | 0.532468 | 0.942857 |
14 | 7D5 | 0.506494 | 0.916667 |
15 | OVE | 0.5 | 0.866667 |
16 | ADS THS THS THS | 0.495495 | 0.767442 |
17 | A2P | 0.493976 | 0.888889 |
18 | A3P | 0.493976 | 0.902778 |
19 | AMP | 0.4875 | 0.902778 |
20 | A | 0.4875 | 0.902778 |
21 | CPA | 0.485714 | 0.860759 |
22 | DDS | 0.483146 | 0.890411 |
23 | 7D7 | 0.472222 | 0.802817 |
24 | DA DT DA DA | 0.470085 | 0.82716 |
25 | ABM | 0.46988 | 0.853333 |
26 | 45A | 0.46988 | 0.853333 |
27 | XYA | 0.465753 | 0.780822 |
28 | ADN | 0.465753 | 0.780822 |
29 | RAB | 0.465753 | 0.780822 |
30 | 7D3 | 0.464286 | 0.891892 |
31 | PPS | 0.461538 | 0.792683 |
32 | ATR | 0.460674 | 0.876712 |
33 | PAP | 0.460674 | 0.890411 |
34 | A12 | 0.458824 | 0.868421 |
35 | AP2 | 0.458824 | 0.868421 |
36 | ADP | 0.453488 | 0.878378 |
37 | A2D | 0.452381 | 0.853333 |
38 | APC | 0.449438 | 0.868421 |
39 | SON | 0.448276 | 0.868421 |
40 | 3AD | 0.447368 | 0.791667 |
41 | 5CD | 0.447368 | 0.743243 |
42 | SRA | 0.445783 | 0.855263 |
43 | ADX | 0.443182 | 0.771084 |
44 | 7D4 | 0.443182 | 0.891892 |
45 | BA3 | 0.44186 | 0.853333 |
46 | ATP | 0.438202 | 0.878378 |
47 | HEJ | 0.438202 | 0.878378 |
48 | AP5 | 0.436782 | 0.853333 |
49 | B4P | 0.436782 | 0.853333 |
50 | 3AT | 0.434783 | 0.878378 |
51 | 5N5 | 0.434211 | 0.756757 |
52 | 5FA | 0.433333 | 0.878378 |
53 | 2A5 | 0.433333 | 0.905405 |
54 | AQP | 0.433333 | 0.878378 |
55 | AT4 | 0.431818 | 0.844156 |
56 | AN2 | 0.431818 | 0.866667 |
57 | HQG | 0.431579 | 0.866667 |
58 | A2R | 0.431579 | 0.866667 |
59 | SAP | 0.428571 | 0.833333 |
60 | ADV | 0.428571 | 0.844156 |
61 | RBY | 0.428571 | 0.844156 |
62 | A4D | 0.428571 | 0.756757 |
63 | AGS | 0.428571 | 0.833333 |
64 | A22 | 0.427083 | 0.866667 |
65 | CA0 | 0.426966 | 0.831169 |
66 | AU1 | 0.426966 | 0.855263 |
67 | M33 | 0.426966 | 0.842105 |
68 | AV2 | 0.425532 | 0.828947 |
69 | NA7 | 0.424242 | 0.893333 |
70 | ARJ | 0.423077 | 0.736111 |
71 | KG4 | 0.422222 | 0.831169 |
72 | 50T | 0.422222 | 0.866667 |
73 | ACP | 0.422222 | 0.855263 |
74 | NOC | 0.421053 | 0.726027 |
75 | MTA | 0.419753 | 0.714286 |
76 | V3L | 0.419355 | 0.878378 |
77 | ACQ | 0.419355 | 0.855263 |
78 | TAT | 0.419355 | 0.844156 |
79 | T99 | 0.419355 | 0.844156 |
80 | MDR | 0.417722 | 0.780822 |
81 | AR6 | 0.417582 | 0.853333 |
82 | PRX | 0.417582 | 0.855263 |
83 | APR | 0.417582 | 0.853333 |
84 | QQY | 0.416667 | 0.826667 |
85 | LMS | 0.416667 | 0.75 |
86 | ACK | 0.416667 | 0.873239 |
87 | ADP MG | 0.41573 | 0.851351 |
88 | DG DA DC DG | 0.413534 | 0.819277 |
89 | ATP MG | 0.413043 | 0.851351 |
90 | AD9 | 0.413043 | 0.855263 |
91 | ADP PO3 | 0.413043 | 0.851351 |
92 | EP4 | 0.4125 | 0.696203 |
93 | MAP | 0.412371 | 0.833333 |
94 | ADP ALF | 0.410526 | 0.7875 |
95 | ALF ADP | 0.410526 | 0.7875 |
96 | 25A | 0.408163 | 0.878378 |
97 | DTA | 0.407407 | 0.75 |
98 | M2T | 0.407407 | 0.679012 |
99 | A3G | 0.406977 | 0.763158 |
100 | 5X8 | 0.406593 | 0.727273 |
101 | 6YZ | 0.40625 | 0.855263 |
102 | QQX | 0.404762 | 0.815789 |
103 | DU DU DU DU BRU DA DU | 0.40458 | 0.807229 |
104 | DOI | 0.404494 | 0.864865 |
105 | ANP | 0.404255 | 0.855263 |
106 | ADQ | 0.40404 | 0.855263 |
107 | A3R | 0.40404 | 0.894737 |
108 | A1R | 0.40404 | 0.894737 |
109 | FYA | 0.401961 | 0.891892 |
110 | 5AL | 0.4 | 0.842105 |
111 | 8LE | 0.4 | 0.810127 |
112 | ZAS | 0.4 | 0.730769 |
113 | 5AD | 0.4 | 0.708333 |
114 | DLL | 0.4 | 0.842105 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GSP | 1 | 1 |
2 | GP3 | 0.897436 | 0.925 |
3 | GTP | 0.853659 | 0.948718 |
4 | GNH | 0.829268 | 0.936709 |
5 | GDP | 0.817073 | 0.948718 |
6 | G1R | 0.8 | 0.936709 |
7 | GCP | 0.77907 | 0.925 |
8 | 9GM | 0.770115 | 0.925 |
9 | GNP | 0.770115 | 0.925 |
10 | GMV | 0.767442 | 0.925 |
11 | 5GP | 0.756098 | 0.935897 |
12 | G | 0.756098 | 0.935897 |
13 | G2R | 0.747253 | 0.91358 |
14 | GDD | 0.744681 | 0.91358 |
15 | GKE | 0.744681 | 0.91358 |
16 | GDC | 0.744681 | 0.91358 |
17 | GPG | 0.73913 | 0.91358 |
18 | GTG | 0.736842 | 0.891566 |
19 | G3A | 0.729167 | 0.925 |
20 | G5P | 0.721649 | 0.925 |
21 | GFB | 0.71875 | 0.91358 |
22 | GDR | 0.71875 | 0.91358 |
23 | GAV | 0.714286 | 0.987179 |
24 | GP2 | 0.712644 | 0.91358 |
25 | 6CK | 0.71134 | 0.891566 |
26 | Y9Z | 0.708333 | 0.860465 |
27 | JB2 | 0.69697 | 0.91358 |
28 | GKD | 0.69697 | 0.91358 |
29 | G2P | 0.692308 | 0.91358 |
30 | GDX | 0.69 | 0.925 |
31 | GPD | 0.69 | 0.880952 |
32 | ALF 5GP | 0.67033 | 0.847059 |
33 | 0O2 | 0.666667 | 0.935897 |
34 | YGP | 0.663265 | 0.858824 |
35 | JB3 | 0.657143 | 0.902439 |
36 | GDP ALF | 0.645833 | 0.847059 |
37 | ALF GDP | 0.645833 | 0.847059 |
38 | GDP AF3 | 0.645833 | 0.847059 |
39 | GMP | 0.641975 | 0.835443 |
40 | G3D | 0.638298 | 0.935897 |
41 | NGD | 0.635514 | 0.91358 |
42 | 2MD | 0.633027 | 0.894118 |
43 | CAG | 0.630631 | 0.840909 |
44 | G4P | 0.625 | 0.935897 |
45 | FEG | 0.62037 | 0.83908 |
46 | U2G | 0.62037 | 0.891566 |
47 | G G | 0.617647 | 0.901235 |
48 | MGD | 0.616071 | 0.894118 |
49 | ZGP | 0.614679 | 0.872093 |
50 | CG2 | 0.609091 | 0.891566 |
51 | TPG | 0.598291 | 0.804348 |
52 | KB7 | 0.595745 | 0.788235 |
53 | 3GP | 0.595506 | 0.898734 |
54 | GDP 7MG | 0.590476 | 0.86747 |
55 | GH3 | 0.581633 | 0.924051 |
56 | MD1 | 0.581197 | 0.894118 |
57 | PGD | 0.581197 | 0.926829 |
58 | 2GP | 0.577778 | 0.911392 |
59 | GCP G | 0.563107 | 0.875 |
60 | DGT | 0.561224 | 0.878049 |
61 | DBG | 0.558333 | 0.902439 |
62 | KBD | 0.553398 | 0.788235 |
63 | G1G | 0.550847 | 0.880952 |
64 | AGS | 0.547368 | 0.924051 |
65 | SAP | 0.547368 | 0.924051 |
66 | FE9 | 0.546219 | 0.8 |
67 | A G | 0.543103 | 0.888889 |
68 | G4M | 0.539062 | 0.840909 |
69 | U A G G | 0.538462 | 0.888889 |
70 | KBJ | 0.53271 | 0.761364 |
71 | G A A A | 0.529915 | 0.878049 |
72 | MGP | 0.525253 | 0.91358 |
73 | GPX | 0.524272 | 0.898734 |
74 | BGO | 0.521739 | 0.879518 |
75 | DGI | 0.520408 | 0.878049 |
76 | 6G0 | 0.52 | 0.91358 |
77 | IDP | 0.515464 | 0.923077 |
78 | R7I | 0.51 | 0.898734 |
79 | R5I | 0.51 | 0.898734 |
80 | GGM | 0.508475 | 0.858824 |
81 | G1R G1R | 0.508065 | 0.879518 |
82 | PGD O | 0.504 | 0.875 |
83 | AKW | 0.495726 | 0.915663 |
84 | G U | 0.491525 | 0.857143 |
85 | GTA | 0.486726 | 0.891566 |
86 | P2G | 0.484536 | 0.839506 |
87 | GPC | 0.483607 | 0.83908 |
88 | G C | 0.483333 | 0.857143 |
89 | P1G | 0.474747 | 0.829268 |
90 | DGP | 0.474227 | 0.865854 |
91 | DG | 0.474227 | 0.865854 |
92 | BA3 | 0.46875 | 0.85 |
93 | AP5 | 0.463918 | 0.85 |
94 | IMP | 0.463918 | 0.910256 |
95 | B4P | 0.463918 | 0.85 |
96 | G2Q | 0.462963 | 0.91358 |
97 | G G G RPC | 0.459016 | 0.833333 |
98 | APC G U | 0.456 | 0.843373 |
99 | HEJ | 0.45 | 0.873418 |
100 | ATP | 0.45 | 0.873418 |
101 | G G G C | 0.448819 | 0.869048 |
102 | A2D | 0.447917 | 0.85 |
103 | AQP | 0.445545 | 0.873418 |
104 | 5FA | 0.445545 | 0.873418 |
105 | A G C C | 0.445312 | 0.86747 |
106 | G7M | 0.444444 | 0.901235 |
107 | G U34 | 0.442623 | 0.847059 |
108 | 01G | 0.442478 | 0.860465 |
109 | SGP | 0.44 | 0.876543 |
110 | ITT | 0.44 | 0.825 |
111 | HFD | 0.436893 | 0.831325 |
112 | JSQ | 0.436893 | 0.831325 |
113 | G C C C | 0.431818 | 0.879518 |
114 | AN2 | 0.43 | 0.8625 |
115 | AT4 | 0.43 | 0.911392 |
116 | DG DG | 0.428571 | 0.825581 |
117 | A4P | 0.42623 | 0.829545 |
118 | UCG | 0.424242 | 0.86747 |
119 | PCG | 0.423077 | 0.886076 |
120 | C2E | 0.423077 | 0.875 |
121 | 35G | 0.423077 | 0.886076 |
122 | MGO | 0.420561 | 0.823529 |
123 | ADP | 0.42 | 0.873418 |
124 | ANP | 0.419048 | 0.851852 |
125 | 5GP 5GP | 0.419048 | 0.839506 |
126 | ADQ | 0.418182 | 0.829268 |
127 | APR | 0.417476 | 0.85 |
128 | 7DT | 0.417476 | 0.860759 |
129 | AR6 | 0.417476 | 0.85 |
130 | PRT | 0.417391 | 0.910256 |
131 | HQG | 0.416667 | 0.8625 |
132 | C1Z | 0.415929 | 0.935897 |
133 | A G U | 0.414286 | 0.847059 |
134 | AD9 | 0.413462 | 0.851852 |
135 | UP5 | 0.413223 | 0.831325 |
136 | A22 | 0.412844 | 0.8625 |
137 | 25L | 0.412281 | 0.8625 |
138 | M33 | 0.411765 | 0.839506 |
139 | JBT | 0.410405 | 0.783505 |
140 | ACP | 0.407767 | 0.851852 |
141 | 6YZ | 0.407407 | 0.851852 |
142 | ACQ | 0.40566 | 0.851852 |
143 | A1R | 0.405405 | 0.8 |
144 | A G U U | 0.4 | 0.847059 |
This union binding pocket(no: 1) in the query (biounit: 1cs4.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1cs4.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3MD0 | GDP | 2.25352 |
2 | 1RYH | GNP | 3.94089 |
3 | 4RD0 | GDP | 4 |
4 | 5W76 | GDP | 4.24528 |
5 | 5H7J | GCP | 4.24528 |
6 | 5H7K | GDP | 4.24528 |
7 | 1YRB | GDP | 4.88889 |
8 | 1Z0A | GDP | 5.17241 |
9 | 1GWN | GTP | 5.36585 |
10 | 2WJG | GDP | 5.85106 |
11 | 4DKX | GDP | 6.01852 |
12 | 5CK5 | GDP | 6.13208 |
13 | 4NON | GDP | 6.13208 |
14 | 1VG8 | GNP | 6.28019 |
15 | 1VG8 | GNP | 6.28019 |
16 | 3W5J | GDP | 6.37255 |
17 | 2G77 | GDP | 6.56566 |
18 | 2G77 | AF3 | 6.56566 |
19 | 5M04 | GDP | 6.85279 |
20 | 1VG1 | GDP | 7.02703 |
21 | 1WDT | GTP | 7.55556 |
22 | 1Z08 | GNP | 7.64706 |
23 | 2WIC | GNP | 8 |
24 | 5W7Q | GDP | 8.01887 |
25 | 6IF3 | GTP | 8.06452 |
26 | 3GJ5 | GDP | 8.1448 |
27 | 3GJ5 | GDP | 8.1448 |
28 | 3GJ7 | GDP | 8.1448 |
29 | 3GJ4 | GDP | 8.1448 |
30 | 3GJ4 | GDP | 8.1448 |
31 | 1SKQ | GDP | 8.37563 |
32 | 1SKQ | GDP | 8.37563 |
33 | 3Q72 | GNP | 8.43373 |
34 | 4R98 | GNH | 8.44444 |
35 | 5WDR | GNP | 8.77193 |
36 | 6G14 | G4P | 8.84354 |
37 | 2C77 | GNP | 9.90566 |
38 | 2FH5 | GTP | 10.2222 |
39 | 2FH5 | GTP | 10.2222 |
40 | 3WYA | GDP | 10.5991 |
41 | 5FG3 | GDP | 10.8491 |
42 | 2CJW | GDP | 10.9375 |
43 | 2CJW | GDP | 10.9375 |
44 | 2HT6 | GDP | 12.069 |
45 | 5O74 | GDP | 12.1827 |
46 | 5O74 | GDP | 12.1827 |
47 | 5W75 | GDP | 12.2642 |
48 | 5W75 | GDP | 12.2642 |
49 | 5W75 | GDP | 12.2642 |
50 | 3U6B | GDP | 12.6904 |
51 | 4P3Y | GDP | 12.6904 |
52 | 3U6B | GDP | 12.6904 |
53 | 5JBQ | GDP | 12.6904 |
54 | 3U6K | GDP | 12.6904 |
55 | 2BVN | GNP | 12.7226 |
56 | 2BVN | GNP | 12.7226 |
57 | 1D8T | GDP | 12.7226 |
58 | 2HCJ | GDP | 13.1343 |
59 | 6FA3 | GNP | 13.6792 |
60 | 6FA3 | GNP | 13.6792 |
61 | 6FA3 | GNP | 13.6792 |
62 | 2RCN | GDP | 13.7778 |
63 | 4J0Q | GDP | 14.9746 |
64 | 4J0Q | GDP | 14.9746 |
65 | 4J0Q | GDP | 14.9746 |
66 | 4J0Q | GDP | 14.9746 |
67 | 6IYB | GTP | 15.5844 |
68 | 1LFD | GNP | 16.092 |
69 | 2QN6 | GDP | 16.129 |
70 | 5LEF | GTP | 16.6667 |
71 | 5LEF | GTP | 16.6667 |
72 | 6HXU | GTP | 16.9399 |
73 | 1F6B | GDP | 17.6768 |
74 | 1F6B | GDP | 17.6768 |
75 | 1KK1 | GNP | 17.9245 |
76 | 6IZW | GSP | 18.2266 |
77 | 6H17 | GSP | 18.408 |
78 | 4M9Q | GNP | 18.9427 |
79 | 4M9Q | GNP | 18.9427 |
80 | 4M9Q | GNP | 18.9427 |
81 | 2Y8E | GNP | 18.9944 |
82 | 2Y8E | GNP | 18.9944 |
83 | 3T1O | GDP | 19.1919 |
84 | 3T12 | GDP ALF | 19.1919 |
85 | 3DOE | GTP | 20.3125 |
86 | 4TMZ | GSP | 20.4444 |
87 | 4NCN | GTP | 20.4444 |
88 | 4TMZ | GSP | 20.4444 |
89 | 4NCN | GTP | 20.4444 |
90 | 4ZI2 | GNP | 20.5263 |
91 | 6BCB | GSP | 20.5405 |
92 | 6BCA | GSP | 20.5405 |
93 | 6BCA | GSP | 20.5405 |
94 | 4GOJ | GNP | 20.6349 |
95 | 4GOJ | GNP | 20.6349 |
96 | 1YZG | GDP | 20.6704 |
97 | 5BXQ | GDP | 20.7547 |
98 | 5BXQ | GDP | 20.7547 |
99 | 3CH5 | GDP | 20.7547 |
100 | 3GJ3 | GDP | 20.7547 |
101 | 5BXQ | GDP | 20.7547 |
102 | 3GJ0 | GDP | 20.7547 |
103 | 1IBR | GNP | 20.7547 |
104 | 4HAT | GNP | 20.7547 |
105 | 4BAS | GNP | 21.1055 |
106 | 4BAS | GNP | 21.1055 |
107 | 1ZJ6 | G3D | 21.3904 |
108 | 1ZJ6 | G3D | 21.3904 |
109 | 1FZQ | GDP | 21.547 |
110 | 5DI3 | GNP | 21.6216 |
111 | 5DI3 | GNP | 21.6216 |
112 | 1UPT | GTP | 21.6374 |
113 | 1UPT | GTP | 21.6374 |
114 | 1UPT | GTP | 21.6374 |
115 | 1UPT | GTP | 21.6374 |
116 | 1O3Y | GTP | 21.6867 |
117 | 2J59 | GTP | 21.6867 |
118 | 2J59 | GTP | 21.6867 |
119 | 2J59 | GTP | 21.6867 |
120 | 2J59 | GTP | 21.6867 |
121 | 1O3Y | GTP | 21.6867 |
122 | 2J59 | GTP | 21.6867 |
123 | 2J59 | GTP | 21.6867 |
124 | 3AQ4 | GDP | 21.7391 |
125 | 1CXZ | GSP | 22.093 |
126 | 2A5F | GTP | 22.2857 |
127 | 4KAX | GTP | 22.4852 |
128 | 1RE0 | GDP | 22.561 |
129 | 1ZD9 | GDP | 22.8723 |
130 | 3Q85 | GNP | 23.0769 |
131 | 3Q85 | GNP | 23.0769 |
132 | 3PCR | GTP | 23.4568 |
133 | 5UWI | GNP | 23.6287 |
134 | 5UWR | GNP | 23.6287 |
135 | 5DIF | GNP | 23.6287 |
136 | 5UWH | GNP | 23.6287 |
137 | 5UWT | GNP | 23.6287 |
138 | 5DHF | GNP | 23.6287 |
139 | 5UWJ | GNP | 23.6287 |
140 | 5UWP | GNP | 23.6287 |
141 | 6A8D | GDP | 23.9583 |
142 | 3N5C | GDP | 24.0741 |
143 | 5UWW | GNP | 28.5714 |
144 | 1J2J | GTP | 28.8889 |
145 | 1NRJ | GTP | 29.1139 |
146 | 3CNL | GNP | 29.771 |
147 | 2W83 | GTP | 29.8701 |
148 | 2W83 | GTP | 29.8701 |
149 | 2W83 | GTP | 29.8701 |
150 | 3WY9 | GDP | 31.25 |
151 | 3WY9 | GDP | 31.25 |
152 | 5YT0 | GDP | 33.3333 |
153 | 2XTZ | GSP | 49.435 |
154 | 2XTZ | GSP | 49.435 |
155 | 2XTZ | GSP | 49.435 |
This union binding pocket(no: 3) in the query (biounit: 1cs4.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |