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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 | 3PCR | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3PCR | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GTP | 1 | 1 |
2 | GP3 | 0.921053 | 0.973684 |
3 | GDP | 0.909091 | 1 |
4 | GSP | 0.853659 | 0.948718 |
5 | GNH | 0.82716 | 0.986667 |
6 | G1R | 0.819277 | 0.986667 |
7 | GAV | 0.811765 | 0.961039 |
8 | 9GM | 0.809524 | 0.973684 |
9 | GNP | 0.809524 | 0.973684 |
10 | GCP | 0.797619 | 0.973684 |
11 | 5GP | 0.797468 | 0.986486 |
12 | G | 0.797468 | 0.986486 |
13 | GMV | 0.764706 | 0.973684 |
14 | G2R | 0.764045 | 0.961039 |
15 | G5P | 0.755319 | 0.973684 |
16 | GTG | 0.752688 | 0.936709 |
17 | G2P | 0.747126 | 0.961039 |
18 | G3A | 0.744681 | 0.973684 |
19 | GDD | 0.741935 | 0.961039 |
20 | GDC | 0.741935 | 0.961039 |
21 | GKE | 0.741935 | 0.961039 |
22 | 0O2 | 0.736264 | 0.986486 |
23 | GP2 | 0.729412 | 0.961039 |
24 | 6CK | 0.726316 | 0.936709 |
25 | Y9Z | 0.723404 | 0.902439 |
26 | GPG | 0.717391 | 0.961039 |
27 | GFB | 0.715789 | 0.961039 |
28 | GDR | 0.715789 | 0.961039 |
29 | GPD | 0.704082 | 0.925 |
30 | GDP BEF | 0.696629 | 0.935065 |
31 | JB2 | 0.693878 | 0.961039 |
32 | GKD | 0.693878 | 0.961039 |
33 | GTP MG | 0.688889 | 0.96 |
34 | GDX | 0.686869 | 0.973684 |
35 | ALF 5GP | 0.685393 | 0.888889 |
36 | GH3 | 0.681319 | 0.973333 |
37 | YGP | 0.677083 | 0.901235 |
38 | G3D | 0.67033 | 0.986486 |
39 | GDP AF3 | 0.659574 | 0.888889 |
40 | GDP ALF | 0.659574 | 0.888889 |
41 | DGT | 0.659341 | 0.923077 |
42 | GMP | 0.658228 | 0.88 |
43 | G4P | 0.655914 | 0.986486 |
44 | JB3 | 0.653846 | 0.948718 |
45 | NGD | 0.647619 | 0.961039 |
46 | QBQ | 0.644444 | 0.986486 |
47 | CAG | 0.642202 | 0.880952 |
48 | 2MD | 0.62963 | 0.891566 |
49 | MGP | 0.619565 | 0.961039 |
50 | U2G | 0.616822 | 0.936709 |
51 | 6G0 | 0.612903 | 0.961039 |
52 | MGD | 0.612613 | 0.891566 |
53 | KB7 | 0.608696 | 0.82716 |
54 | TPG | 0.608696 | 0.840909 |
55 | CG2 | 0.605505 | 0.936709 |
56 | GDP 7MG | 0.601942 | 0.911392 |
57 | FEG | 0.601852 | 0.879518 |
58 | ZGP | 0.59633 | 0.869048 |
59 | PGD | 0.591304 | 0.925 |
60 | MD1 | 0.591304 | 0.891566 |
61 | 3GP | 0.590909 | 0.946667 |
62 | GPX | 0.581633 | 0.946667 |
63 | CZF | 0.580645 | 0.933333 |
64 | DGI | 0.580645 | 0.923077 |
65 | IDP | 0.576087 | 0.972973 |
66 | DBG | 0.567797 | 0.948718 |
67 | KBD | 0.564356 | 0.82716 |
68 | 2GP | 0.555556 | 0.96 |
69 | FE9 | 0.555556 | 0.776596 |
70 | G4M | 0.547619 | 0.880952 |
71 | BGO | 0.544643 | 0.924051 |
72 | KBJ | 0.542857 | 0.797619 |
73 | HEJ | 0.537634 | 0.92 |
74 | ATP | 0.537634 | 0.92 |
75 | G1G | 0.533898 | 0.925 |
76 | AQP | 0.531915 | 0.92 |
77 | 5FA | 0.531915 | 0.92 |
78 | JSQ | 0.520833 | 0.873418 |
79 | HFD | 0.520833 | 0.873418 |
80 | R7I | 0.520408 | 0.946667 |
81 | R5I | 0.520408 | 0.946667 |
82 | 01G | 0.518868 | 0.902439 |
83 | I2C FE2 CMO CMO | 0.516667 | 0.808989 |
84 | ITT | 0.510638 | 0.868421 |
85 | P2G | 0.510638 | 0.883117 |
86 | AKW | 0.504348 | 0.890244 |
87 | GGM | 0.504274 | 0.901235 |
88 | G1R G1R | 0.504065 | 0.924051 |
89 | DG | 0.5 | 0.910256 |
90 | DGP | 0.5 | 0.910256 |
91 | PGD O | 0.5 | 0.850575 |
92 | MGO | 0.5 | 0.864198 |
93 | P1G | 0.5 | 0.871795 |
94 | GTA | 0.495495 | 0.936709 |
95 | PRT | 0.490741 | 0.959459 |
96 | AP5 | 0.489362 | 0.894737 |
97 | IMP | 0.489362 | 0.959459 |
98 | B4P | 0.489362 | 0.894737 |
99 | 7DT | 0.484536 | 0.906667 |
100 | GPC | 0.479339 | 0.879518 |
101 | G C | 0.478992 | 0.9 |
102 | BA3 | 0.478723 | 0.894737 |
103 | ADP | 0.473684 | 0.92 |
104 | G2Q | 0.471698 | 0.961039 |
105 | 6YZ | 0.470588 | 0.896104 |
106 | G7M | 0.46875 | 0.948052 |
107 | C1Z | 0.462963 | 0.986486 |
108 | 25L | 0.458716 | 0.907895 |
109 | A2D | 0.457447 | 0.894737 |
110 | RGT | 0.45045 | 0.909091 |
111 | AGS | 0.45 | 0.873418 |
112 | SGP | 0.44898 | 0.82716 |
113 | A4P | 0.445378 | 0.869048 |
114 | ANP | 0.441176 | 0.896104 |
115 | 8GT | 0.441176 | 0.875 |
116 | ACQ | 0.441176 | 0.896104 |
117 | APC G U | 0.440945 | 0.886076 |
118 | AT4 | 0.438776 | 0.884615 |
119 | 6AD | 0.436893 | 0.841463 |
120 | UP5 | 0.432203 | 0.873418 |
121 | 35G | 0.431373 | 0.933333 |
122 | C2E | 0.431373 | 0.921053 |
123 | PCG | 0.431373 | 0.933333 |
124 | 5GP 5GP | 0.427184 | 0.883117 |
125 | TAT | 0.427184 | 0.884615 |
126 | T99 | 0.427184 | 0.884615 |
127 | APR | 0.425743 | 0.894737 |
128 | AR6 | 0.425743 | 0.894737 |
129 | AN2 | 0.424242 | 0.907895 |
130 | 7DD | 0.424242 | 0.906667 |
131 | AD9 | 0.421569 | 0.896104 |
132 | 7D4 | 0.42 | 0.835443 |
133 | M33 | 0.42 | 0.883117 |
134 | UCG | 0.419847 | 0.911392 |
135 | HDV | 0.419048 | 0.825 |
136 | H6Y | 0.419048 | 0.946667 |
137 | GZ0 | 0.416667 | 0.948718 |
138 | ACP | 0.415842 | 0.896104 |
139 | T5A | 0.414634 | 0.802326 |
140 | A3R | 0.412844 | 0.839506 |
141 | MGQ | 0.412844 | 0.935897 |
142 | A1R | 0.412844 | 0.839506 |
143 | ADQ | 0.412844 | 0.871795 |
144 | HQG | 0.411215 | 0.907895 |
145 | MGT | 0.411215 | 0.823529 |
146 | 93A | 0.41 | 0.833333 |
147 | A22 | 0.407407 | 0.907895 |
148 | CA0 | 0.405941 | 0.896104 |
149 | ATF | 0.40566 | 0.884615 |
150 | M7G A2M G | 0.405229 | 0.808989 |
151 | AGO | 0.404762 | 0.888889 |
152 | NYZ | 0.403846 | 0.935897 |
153 | KG4 | 0.401961 | 0.896104 |
154 | MGV | 0.401786 | 0.890244 |
155 | CGP | 0.4 | 0.86747 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BEF GDP | 0.9967 |
2 | ALF GDP | 0.9831 |
3 | BEF ADP | 0.9768 |
4 | DTP | 0.9699 |
5 | 8DG | 0.9681 |
6 | 3AT | 0.9677 |
7 | APC | 0.9540 |
8 | GDP MG | 0.9519 |
9 | ADP BEF | 0.9514 |
10 | ADP ALF | 0.9503 |
11 | ADP AF3 | 0.9408 |
12 | ALF ADP | 0.9332 |
13 | HF7 | 0.9242 |
14 | UTP | 0.9210 |
15 | DZ4 | 0.9149 |
16 | CTP | 0.9139 |
17 | AMO | 0.9072 |
18 | ADP MG | 0.9070 |
19 | DSZ | 0.8952 |
20 | 2KH | 0.8870 |
21 | TTP | 0.8866 |
22 | 6U4 | 0.8793 |
23 | 54H | 0.8791 |
24 | VO4 ADP | 0.8791 |
25 | EEM | 0.8762 |
26 | ATP MG | 0.8751 |
27 | SSA | 0.8728 |
28 | 5AL | 0.8707 |
29 | SAM | 0.8703 |
30 | KAA | 0.8702 |
31 | 2TM | 0.8697 |
32 | DCP | 0.8670 |
33 | DAT | 0.8669 |
34 | ADX | 0.8660 |
35 | GSU | 0.8654 |
36 | SFG | 0.8645 |
37 | 8X1 | 0.8616 |
38 | A5A | 0.8614 |
39 | D3T | 0.8609 |
40 | G5A | 0.8580 |
41 | RSN | 0.8567 |
This union binding pocket(no: 1) in the query (biounit: 3pcr.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1KK1 | GNP | 3.08642 |
2 | 4RD0 | GDP | 3.7037 |
3 | 1SKQ | GDP | 4.93827 |
4 | 3EC1 | GDP | 4.93827 |
5 | 3Q72 | GNP | 5.42169 |
6 | 2BVN | GNP | 5.60224 |
7 | 6G14 | G4P | 5.78231 |
8 | 1YRB | GDP | 6.17284 |
9 | 3WXM | GTP | 6.17284 |
10 | 1NVV | GNP | 7.22892 |
11 | 1NVV | GNP | 7.22892 |
12 | 1NVV | GNP | 7.22892 |
13 | 5FG3 | GDP | 8.02469 |
14 | 2C5L | GTP | 8.54701 |
15 | 2C5L | GTP | 8.54701 |
16 | 3W5J | GDP | 8.82353 |
17 | 4NCN | GTP | 10.4938 |
18 | 4NCN | GTP | 10.4938 |
19 | 4K81 | GTP | 12.0155 |
20 | 1ZC3 | GNP | 16.8142 |
21 | 5O2T | GSP | 17.9012 |
22 | 5TB5 | GDP | 17.9012 |
23 | 2C78 | GNP | 22.2222 |
24 | 2C77 | GNP | 22.2222 |
25 | 1CS4 | GSP | 23.4568 |
26 | 2XTZ | GSP | 23.4568 |
27 | 2XTZ | GSP | 23.4568 |
28 | 2XTZ | GSP | 23.4568 |
29 | 6AU6 | GDP | 23.4568 |
30 | 5BXQ | GDP | 24.0741 |
31 | 5BXQ | GDP | 24.0741 |
32 | 3CH5 | GDP | 24.0741 |
33 | 5BXQ | GDP | 24.0741 |
34 | 5UWU | GNP | 24.0741 |
35 | 5UWQ | GNP | 24.0741 |
36 | 5UWI | GNP | 24.0741 |
37 | 6X2Y | GNP | 24.0741 |
38 | 4HAT | GNP | 24.0741 |
39 | 5UWR | GNP | 24.0741 |
40 | 5UWO | GNP | 24.0741 |
41 | 5UWW | GNP | 24.0741 |
42 | 6CIT | GNP | 24.0741 |
43 | 5UWH | GNP | 24.0741 |
44 | 5DIF | GNP | 24.0741 |
45 | 5DHF | GNP | 24.0741 |
46 | 5UWS | GNP | 24.0741 |
47 | 6X2U | GNP | 24.0741 |
48 | 6X2S | GNP | 24.0741 |
49 | 1IBR | GNP | 24.0741 |
50 | 6X2P | GNP | 24.0741 |
51 | 3M1I | GTP | 24.0741 |
52 | 3GJ5 | GDP | 24.6914 |
53 | 3GJ4 | GDP | 24.6914 |
54 | 3GJ7 | GDP | 24.6914 |
55 | 5UWT | GNP | 26.087 |
56 | 1NRJ | GTP | 26.1468 |
57 | 5UWP | GNP | 26.3158 |
58 | 4DCT | GDP | 29.0123 |
59 | 5WDR | GNP | 29.2398 |
60 | 5WDR | GNP | 29.2398 |
61 | 1FQJ | ALF | 29.6296 |
62 | 1FQK | ALF | 29.6296 |
63 | 1BH2 | GSP | 30.2469 |
64 | 2ODE | ALF GDP | 30.2469 |
65 | 5Z2M | GTP | 30.8642 |
66 | 1SVK | ALF GDP | 30.8642 |
67 | 1VG8 | GNP | 31.4815 |
68 | 1VG8 | GNP | 31.4815 |
69 | 1VG8 | GNP | 31.4815 |
70 | 1VG1 | GDP | 31.4815 |
71 | 3CX8 | GSP | 32.0988 |
72 | 3T12 | GDP ALF | 32.0988 |
73 | 1Z0K | GTP | 32.0988 |
74 | 2D7C | GTP | 32.0988 |
75 | 1Z0K | GTP | 32.0988 |
76 | 6IZW | GSP | 32.716 |
77 | 1Z0A | GDP | 32.716 |
78 | 1Z0A | GDP | 32.716 |
79 | 2BME | GNP | 32.716 |
80 | 2BME | GNP | 32.716 |
81 | 2BME | GNP | 32.716 |
82 | 1Z0A | GDP | 32.716 |
83 | 1Z0A | GDP | 32.716 |
84 | 1S8F | GDP | 32.716 |
85 | 1Z0A | GDP | 32.716 |
86 | 2BME | GNP | 32.716 |
87 | 5CK5 | GDP | 33.3333 |
88 | 5CK5 | GDP | 33.3333 |
89 | 5CK5 | GDP | 33.3333 |
90 | 2FFQ | GSP | 33.9506 |
91 | 1Z0J | GTP | 34.5679 |
92 | 1Z08 | GNP | 34.5679 |
93 | 1YVD | GNP | 35.1852 |
94 | 3MJH | GTP | 35.8025 |
95 | 3MJH | GTP | 35.8025 |
96 | 1TU3 | GNP | 36.4198 |
97 | 1TU3 | GNP | 36.4198 |
98 | 1TU3 | GNP | 36.4198 |
99 | 1TAD | GDP | 37.037 |
100 | 1TAD | ALF | 37.037 |
101 | 3BC1 | GNP | 37.037 |
102 | 3BC1 | GNP | 37.037 |
103 | 5O74 | GDP | 38.2716 |
104 | 5O74 | GDP | 38.2716 |
105 | 2FH5 | GTP | 38.8889 |
106 | 3QBT | GNP | 38.8889 |
107 | 3QBT | GNP | 38.8889 |
108 | 3QBT | GNP | 38.8889 |
109 | 3QBT | GNP | 38.8889 |
110 | 2FH5 | GTP | 38.8889 |
111 | 2FH5 | GTP | 38.8889 |
112 | 5XC5 | GTP | 39.5062 |
113 | 1Z06 | GNP | 39.5062 |
114 | 3RAB | GNP | 42.5926 |
115 | 1M2O | GNP | 46.2963 |
116 | 1M2O | GNP | 46.2963 |
117 | 1M2O | GNP | 46.2963 |
118 | 1M2O | GNP | 46.2963 |
119 | 1F6B | GDP | 48.1481 |
120 | 1F6B | GDP | 48.1481 |