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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 | 3CNN | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
2 | 3CNL | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
3 | 3CNO | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 6G12 | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
2 | 6G14 | Kd = 3.26 uM | G4P | C10 H17 N5 O17 P4 | c1nc2c(n1[.... |
3 | 6G15 | Kd = 4.31 uM | C1Z | C10 H18 N5 O20 P5 | c1nc2c(n1[.... |
4 | 6G0Z | Kd = 4.84 uM | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
5 | 1PUJ | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
6 | 3CNN | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
7 | 3CNL | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
8 | 3CNO | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9GM | 1 | 1 |
2 | GNP | 1 | 1 |
3 | GDP | 0.839506 | 0.973684 |
4 | GP3 | 0.82716 | 0.948718 |
5 | GTP | 0.809524 | 0.973684 |
6 | GNH | 0.807229 | 0.986842 |
7 | GCP | 0.77907 | 0.948718 |
8 | G1R | 0.77907 | 0.961039 |
9 | GSP | 0.770115 | 0.925 |
10 | 5GP | 0.756098 | 0.960526 |
11 | G | 0.756098 | 0.960526 |
12 | G2R | 0.747253 | 0.936709 |
13 | GMV | 0.747126 | 0.948718 |
14 | GAV | 0.714286 | 0.936709 |
15 | GP2 | 0.712644 | 0.936709 |
16 | G2P | 0.711111 | 0.936709 |
17 | Y9Z | 0.708333 | 0.880952 |
18 | GDD | 0.690722 | 0.936709 |
19 | GKE | 0.690722 | 0.936709 |
20 | GDC | 0.690722 | 0.936709 |
21 | G5P | 0.686869 | 0.948718 |
22 | GPG | 0.684211 | 0.936709 |
23 | GFB | 0.683673 | 0.936709 |
24 | GDR | 0.683673 | 0.936709 |
25 | GTG | 0.683673 | 0.91358 |
26 | GDP BEF | 0.681319 | 0.911392 |
27 | GKD | 0.68 | 0.936709 |
28 | JB2 | 0.68 | 0.936709 |
29 | 6CK | 0.676768 | 0.91358 |
30 | G3A | 0.676768 | 0.948718 |
31 | GTP MG | 0.673913 | 0.935065 |
32 | GDX | 0.673267 | 0.948718 |
33 | ALF 5GP | 0.67033 | 0.86747 |
34 | YGP | 0.663265 | 0.879518 |
35 | GPD | 0.656863 | 0.902439 |
36 | GDP AF3 | 0.645833 | 0.86747 |
37 | GDP ALF | 0.645833 | 0.86747 |
38 | JB3 | 0.641509 | 0.925 |
39 | DBG | 0.640351 | 0.974359 |
40 | G3D | 0.638298 | 0.960526 |
41 | G4P | 0.625 | 0.960526 |
42 | GMP | 0.621951 | 0.857143 |
43 | NGD | 0.62037 | 0.936709 |
44 | GGM | 0.618182 | 0.925926 |
45 | 0O2 | 0.616162 | 0.960526 |
46 | KB7 | 0.612903 | 0.807229 |
47 | 2MD | 0.603604 | 0.870588 |
48 | CAG | 0.60177 | 0.904762 |
49 | FEG | 0.590909 | 0.858824 |
50 | U2G | 0.590909 | 0.91358 |
51 | GDP 7MG | 0.590476 | 0.888889 |
52 | MGD | 0.587719 | 0.870588 |
53 | ZGP | 0.585586 | 0.848837 |
54 | CG2 | 0.580357 | 0.91358 |
55 | KBD | 0.568627 | 0.807229 |
56 | ANP | 0.568421 | 0.922078 |
57 | PGD | 0.567797 | 0.902439 |
58 | MD1 | 0.567797 | 0.870588 |
59 | 3GP | 0.56044 | 0.922078 |
60 | TPG | 0.558333 | 0.822222 |
61 | GH3 | 0.55 | 0.948052 |
62 | KBJ | 0.54717 | 0.77907 |
63 | FE9 | 0.546219 | 0.778947 |
64 | GPX | 0.539216 | 0.922078 |
65 | G4M | 0.539062 | 0.860465 |
66 | DGI | 0.536082 | 0.9 |
67 | BGO | 0.535088 | 0.901235 |
68 | IDP | 0.53125 | 0.947368 |
69 | DGT | 0.53 | 0.9 |
70 | 2GP | 0.526882 | 0.935065 |
71 | G1R G1R | 0.520325 | 0.901235 |
72 | QBQ | 0.515152 | 0.960526 |
73 | I2C FE2 CMO CMO | 0.508197 | 0.811111 |
74 | AGO | 0.504202 | 0.91358 |
75 | P2G | 0.5 | 0.860759 |
76 | G1G | 0.5 | 0.902439 |
77 | MGP | 0.49505 | 0.936709 |
78 | R5I | 0.49505 | 0.922078 |
79 | R7I | 0.49505 | 0.922078 |
80 | PGD O | 0.492063 | 0.831461 |
81 | 6G0 | 0.490196 | 0.936709 |
82 | P1G | 0.489796 | 0.85 |
83 | AKW | 0.483051 | 0.869048 |
84 | DG | 0.474227 | 0.8875 |
85 | DGP | 0.474227 | 0.8875 |
86 | IMP | 0.463918 | 0.934211 |
87 | G2Q | 0.462963 | 0.936709 |
88 | CZF | 0.460784 | 0.909091 |
89 | GPC | 0.459677 | 0.858824 |
90 | G C | 0.459016 | 0.878049 |
91 | GTA | 0.448276 | 0.91358 |
92 | G7M | 0.444444 | 0.924051 |
93 | MAP | 0.439252 | 0.898734 |
94 | B4P | 0.434343 | 0.871795 |
95 | ADP | 0.434343 | 0.896104 |
96 | AP5 | 0.434343 | 0.871795 |
97 | A2D | 0.43299 | 0.871795 |
98 | AT4 | 0.43 | 0.8625 |
99 | SGP | 0.425743 | 0.807229 |
100 | AU1 | 0.425743 | 0.922078 |
101 | BA3 | 0.424242 | 0.871795 |
102 | APC G U | 0.423077 | 0.864198 |
103 | C2E | 0.423077 | 0.897436 |
104 | 35G | 0.423077 | 0.909091 |
105 | PCG | 0.423077 | 0.909091 |
106 | HEJ | 0.421569 | 0.896104 |
107 | ATP | 0.421569 | 0.896104 |
108 | ACQ | 0.419048 | 0.873418 |
109 | 5GP 5GP | 0.419048 | 0.860759 |
110 | AQP | 0.417476 | 0.896104 |
111 | 5FA | 0.417476 | 0.896104 |
112 | 01G | 0.417391 | 0.880952 |
113 | UNP | 0.415842 | 0.810127 |
114 | AN2 | 0.415842 | 0.909091 |
115 | 6AD | 0.415094 | 0.821429 |
116 | M33 | 0.411765 | 0.860759 |
117 | ITT | 0.411765 | 0.846154 |
118 | JSQ | 0.409524 | 0.851852 |
119 | HFD | 0.409524 | 0.851852 |
120 | ACP | 0.407767 | 0.873418 |
121 | KG4 | 0.407767 | 0.873418 |
122 | 6YZ | 0.407407 | 0.873418 |
123 | AR6 | 0.403846 | 0.871795 |
124 | APR | 0.403846 | 0.871795 |
125 | A4P | 0.403226 | 0.848837 |
126 | UCG | 0.402985 | 0.888889 |
127 | M7G A2M G | 0.4 | 0.791209 |
128 | AD9 | 0.4 | 0.873418 |
129 | AGS | 0.4 | 0.851852 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BEF GDP | 0.9966 |
2 | ALF GDP | 0.9853 |
3 | BEF ADP | 0.9788 |
4 | DTP | 0.9719 |
5 | ADP BEF | 0.9564 |
6 | ADP ALF | 0.9518 |
7 | GDP MG | 0.9489 |
8 | ADP AF3 | 0.9407 |
9 | UTP | 0.9203 |
10 | ADP MG | 0.9170 |
11 | CTP | 0.9164 |
12 | ATF | 0.9160 |
13 | MGT | 0.9145 |
14 | P5A | 0.9069 |
15 | APC | 0.8983 |
16 | AMO | 0.8940 |
17 | DSZ | 0.8934 |
18 | SSA | 0.8828 |
19 | TSB | 0.8826 |
20 | A12 | 0.8814 |
21 | ATP MG | 0.8808 |
22 | 8X1 | 0.8806 |
23 | PR8 | 0.8796 |
24 | DAT | 0.8750 |
25 | 5AL | 0.8746 |
26 | MGO | 0.8726 |
27 | NSS | 0.8721 |
28 | G5A | 0.8710 |
29 | 3AT | 0.8675 |
30 | SRP | 0.8665 |
31 | SAM | 0.8658 |
32 | TAT | 0.8655 |
33 | A5A | 0.8651 |
34 | 4AD | 0.8639 |
35 | KAA | 0.8631 |
36 | 8DG | 0.8607 |
37 | VO4 ADP | 0.8602 |
38 | GCP G | 0.8590 |
39 | ADX | 0.8588 |
40 | ANP MG | 0.8566 |
41 | TTP | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 3cnl.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4LPS | GDP | 1.65289 |
2 | 1KK1 | GNP | 4.19847 |
3 | 2QN6 | GDP | 4.58015 |
4 | 2HF9 | GSP | 4.86726 |
5 | 2HF9 | GSP | 4.86726 |
6 | 3CX8 | GSP | 5.34351 |
7 | 1SKQ | GDP | 5.34351 |
8 | 1D2E | GDP | 5.34351 |
9 | 1D2E | GDP | 5.34351 |
10 | 1D2E | GDP | 5.34351 |
11 | 1D2E | GDP | 5.34351 |
12 | 1SKQ | GDP | 5.34351 |
13 | 5GOE | GDP | 5.34351 |
14 | 1TQ4 | GDP | 5.72519 |
15 | 4P4T | GDP | 5.72519 |
16 | 1ZD9 | GDP | 5.85106 |
17 | 2A9K | GDP | 5.88235 |
18 | 2XTZ | GSP | 6.10687 |
19 | 2XTZ | GSP | 6.10687 |
20 | 6AU6 | GDP | 6.10687 |
21 | 6MHE | GDP | 6.10687 |
22 | 1YRB | GDP | 6.10687 |
23 | 1ZC3 | GNP | 6.28571 |
24 | 1ZC3 | GNP | 6.28571 |
25 | 5UQW | GDP | 6.34921 |
26 | 5M04 | GDP | 6.38889 |
27 | 1BH2 | GSP | 6.48855 |
28 | 6CRK | GDP | 6.48855 |
29 | 1Y3A | GDP | 6.48855 |
30 | 1Y3A | GDP | 6.48855 |
31 | 1GP2 | GDP | 6.48855 |
32 | 1U8Z | GDP | 6.54762 |
33 | 1U8Z | GDP | 6.54762 |
34 | 3GJ8 | GDP | 6.78733 |
35 | 3GJ8 | GDP | 6.78733 |
36 | 3GJ0 | GDP | 6.78733 |
37 | 3GJ7 | GDP | 6.78733 |
38 | 3GJ4 | GDP | 6.78733 |
39 | 3GJ5 | GDP | 6.78733 |
40 | 3GJ3 | GDP | 6.78733 |
41 | 3GJ7 | GDP | 6.78733 |
42 | 3GJ0 | GDP | 6.78733 |
43 | 5CK5 | GDP | 6.87023 |
44 | 5CK5 | GDP | 6.87023 |
45 | 5CK5 | GDP | 6.87023 |
46 | 5CK5 | GDP | 6.87023 |
47 | 2C5L | GTP | 6.93642 |
48 | 2C5L | GTP | 6.93642 |
49 | 6ZIO | GDP | 6.93642 |
50 | 6ZIO | GDP | 6.93642 |
51 | 1IBR | GNP | 6.94444 |
52 | 3CH5 | GDP | 6.94444 |
53 | 5BXQ | GDP | 6.94444 |
54 | 5BXQ | GDP | 6.94444 |
55 | 4K81 | GTP | 7.01754 |
56 | 4K81 | GTP | 7.01754 |
57 | 5WDR | GNP | 7.01754 |
58 | 5WDR | GNP | 7.01754 |
59 | 3Q85 | GNP | 7.10059 |
60 | 3Q85 | GNP | 7.10059 |
61 | 5O2T | GSP | 7.10059 |
62 | 1YVD | GNP | 7.10059 |
63 | 6BVJ | GNP | 7.18563 |
64 | 6BVL | GNP | 7.18563 |
65 | 6BVI | GNP | 7.18563 |
66 | 6D5E | GNP | 7.18563 |
67 | 6BVK | GNP | 7.18563 |
68 | 6D5H | GNP | 7.18563 |
69 | 6D56 | GNP | 7.18563 |
70 | 6D5J | GNP | 7.18563 |
71 | 6V9F | GNP | 7.18563 |
72 | 6V9L | GNP | 7.18563 |
73 | 6D5G | GNP | 7.18563 |
74 | 6V9J | GNP | 7.18563 |
75 | 6V9N | GNP | 7.18563 |
76 | 6D5W | GNP | 7.18563 |
77 | 3Q72 | GNP | 7.22892 |
78 | 3Q72 | GNP | 7.22892 |
79 | 5WLB | GNP | 7.22892 |
80 | 1NVV | GNP | 7.22892 |
81 | 1NVV | GNP | 7.22892 |
82 | 1NVV | GNP | 7.22892 |
83 | 3DDC | GNP | 7.22892 |
84 | 5FG3 | GDP | 7.25191 |
85 | 5YT0 | GDP | 7.25191 |
86 | 2CJW | GDP | 7.29167 |
87 | 2CJW | GDP | 7.29167 |
88 | 1S8F | GDP | 7.34463 |
89 | 1S8F | GDP | 7.34463 |
90 | 5KUT | GDP | 7.40741 |
91 | 3QBT | GNP | 7.47126 |
92 | 3QBT | GNP | 7.47126 |
93 | 4M9Q | GNP | 7.48899 |
94 | 5XKT | GNP | 7.5 |
95 | 5XKT | GNP | 7.5 |
96 | 5UWP | GNP | 7.63359 |
97 | 5DIF | GNP | 7.63359 |
98 | 5UWU | GNP | 7.63359 |
99 | 5UWW | GNP | 7.63359 |
100 | 4HAT | GNP | 7.63359 |
101 | 5UWH | GNP | 7.63359 |
102 | 6CIT | GNP | 7.63359 |
103 | 5UWS | GNP | 7.63359 |
104 | 5UWO | GNP | 7.63359 |
105 | 5UWQ | GNP | 7.63359 |
106 | 5DHF | GNP | 7.63359 |
107 | 5UWT | GNP | 7.63359 |
108 | 6X2Y | GNP | 7.63359 |
109 | 6X2P | GNP | 7.63359 |
110 | 6X2U | GNP | 7.63359 |
111 | 6X2S | GNP | 7.63359 |
112 | 1G16 | GDP | 7.64706 |
113 | 1G16 | GDP | 7.64706 |
114 | 1G16 | GDP | 7.64706 |
115 | 3BC1 | GNP | 7.69231 |
116 | 3BC1 | GNP | 7.69231 |
117 | 1Z2A | GDP | 7.7381 |
118 | 5O74 | GDP | 7.77778 |
119 | 5O74 | GDP | 7.77778 |
120 | 5O74 | GDP | 7.77778 |
121 | 1CLU | DBG | 7.83133 |
122 | 2HT6 | GDP | 8.04598 |
123 | 2HT6 | GDP | 8.04598 |
124 | 5KDO | GDP | 8.10811 |
125 | 3M1I | GTP | 8.21918 |
126 | 3MD0 | GDP | 8.73239 |
127 | 3T1O | GDP | 9.09091 |
128 | 3T12 | GDP ALF | 9.09091 |
129 | 3T1O | GDP | 9.09091 |
130 | 3WXM | GTP | 9.16031 |
131 | 3WXM | GTP | 9.16031 |
132 | 3WXM | GTP | 9.16031 |
133 | 3WXM | GTP | 9.16031 |
134 | 1VG8 | GNP | 9.17874 |
135 | 1VG8 | GNP | 9.17874 |
136 | 1VG8 | GNP | 9.17874 |
137 | 1Z0A | GDP | 9.1954 |
138 | 1Z0A | GDP | 9.1954 |
139 | 1Z0A | GDP | 9.1954 |
140 | 1Z0A | GDP | 9.1954 |
141 | 1Z0A | GDP | 9.1954 |
142 | 1Z0A | GDP | 9.1954 |
143 | 3RAB | GNP | 9.46746 |
144 | 1Z0F | GDP | 9.49721 |
145 | 1F6B | GDP | 9.59596 |
146 | 1F6B | GDP | 9.59596 |
147 | 1O3Y | GTP | 9.63855 |
148 | 1O3Y | GTP | 9.63855 |
149 | 1RE0 | GDP | 9.7561 |
150 | 1S9D | GDP | 9.7561 |
151 | 1YZG | GDP | 10.0559 |
152 | 1VG9 | GDP | 10.2703 |
153 | 1VG9 | GDP | 10.2703 |
154 | 1VG9 | GDP | 10.2703 |
155 | 1VG1 | GDP | 10.2703 |
156 | 1R4A | GNP | 10.303 |
157 | 1R4A | GNP | 10.303 |
158 | 1R4A | GNP | 10.303 |
159 | 1R4A | GNP | 10.303 |
160 | 1DAR | GDP | 10.3053 |
161 | 1ZJ6 | G3D | 10.6952 |
162 | 1ZJ6 | G3D | 10.6952 |
163 | 1ZJ6 | G3D | 10.6952 |
164 | 4HDO | GNP | 10.7784 |
165 | 2A5J | GDP | 10.9948 |
166 | 1MR3 | G3D | 11.0497 |
167 | 4BAS | GNP | 11.0553 |
168 | 2C78 | GNP | 11.4504 |
169 | 6A8D | GDP | 11.4583 |
170 | 1TU3 | GNP | 11.6959 |
171 | 1TU3 | GNP | 11.6959 |
172 | 1TU3 | GNP | 11.6959 |
173 | 1WF3 | GNP | 11.8321 |
174 | 6VJF | GCP | 11.8321 |
175 | 6VJF | GCP | 11.8321 |
176 | 1Z0J | GTP | 11.8644 |
177 | 3MJH | GTP | 11.9048 |
178 | 2ZEJ | GDP | 11.9565 |
179 | 2ZEJ | GDP | 11.9565 |
180 | 4B47 | GDP | 12.2137 |
181 | 2BVN | GNP | 12.2137 |
182 | 1D8T | GDP | 12.2137 |
183 | 1D8T | GDP | 12.2137 |
184 | 2HCJ | GDP | 12.2137 |
185 | 1G7S | GDP | 12.2137 |
186 | 1GOT | GDP | 12.2137 |
187 | 2FH5 | GTP | 13.0841 |
188 | 2FH5 | GTP | 13.0841 |
189 | 2FFQ | GSP | 13.3588 |
190 | 5TB5 | GDP | 13.3588 |
191 | 1MKY | GDP | 13.7405 |
192 | 4V0K | GDP | 14.2012 |
193 | 1KSH | GDP | 14.5161 |
194 | 4NON | GDP | 14.6154 |
195 | 1M2O | GNP | 15.2632 |
196 | 1M2O | GNP | 15.2632 |
197 | 1M2O | GNP | 15.2632 |
198 | 1SVI | GDP | 15.3846 |
199 | 1FZQ | GDP | 15.4696 |
200 | 2WJG | GDP | 17.0213 |
201 | 2WJG | GDP | 17.0213 |
202 | 1Z08 | GNP | 17.0588 |
203 | 1Z08 | GNP | 17.0588 |
204 | 1Z08 | GNP | 17.0588 |
205 | 1Z08 | GNP | 17.0588 |
206 | 1Z08 | GNP | 17.0588 |
207 | 5XC5 | GTP | 17.6136 |
208 | 2BME | GNP | 17.7419 |
209 | 2BME | GNP | 17.7419 |
210 | 3EC1 | GDP | 18.3206 |
211 | 2WJH | GDP | 19.2771 |
212 | 1OIV | GDP | 19.3717 |
213 | 1OIV | GDP | 19.3717 |
214 | 2OM2 | GDP | 19.4444 |
215 | 2OM2 | GDP | 19.4444 |
216 | 1Z0K | GTP | 19.7674 |
217 | 1J2J | GTP | 20 |
218 | 3W5J | GDP | 20.5882 |
219 | 2WIC | GNP | 21.3483 |
220 | 2WIC | GNP | 21.3483 |
221 | 1GUA | GNP | 22.2222 |
222 | 6BSX | E7S | 23.0337 |
223 | 6BSX | GDP | 23.0337 |
224 | 6BSX | E7S | 23.0337 |
225 | 6BSX | GDP | 23.0337 |
226 | 6BSX | GDP | 23.0337 |
227 | 5Z2M | GTP | 23.1884 |
228 | 3T5G | GDP | 23.2044 |
229 | 1TAD | GDP | 23.6641 |
230 | 1TAD | ALF | 23.6641 |
231 | 1FQJ | GDP | 23.6641 |
232 | 1FQK | GDP | 23.6641 |
233 | 2RCN | GDP | 24.0458 |
234 | 2RCN | GDP | 24.0458 |
235 | 3RWO | GDP | 25.4054 |
236 | 3RWO | GDP | 25.4054 |
237 | 3RWO | GDP | 25.4054 |
238 | 3RWO | GDP | 25.4054 |
239 | 2HV8 | GTP | 26.1628 |
240 | 1UPT | GTP | 26.3158 |
241 | 1UPT | GTP | 26.3158 |
242 | 2QTV | GNP | 26.5306 |
243 | 1OIX | GDP | 26.7016 |
244 | 2D7C | GTP | 26.9461 |
245 | 1CS4 | GSP | 29.771 |