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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 4 families. | |||||
1 | 4BRA | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
2 | 4BR7 | - | AU1 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
3 | 4BRI | - | UNP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
4 | 4BRL | - | GMV | C10 H17 N5 O12 P V | c1nc2c(n1[.... |
5 | 4BRQ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
6 | 4BRG | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
7 | 4BRF | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
8 | 3AAQ | Ki = 0.5 mM | ARU | C15 H24 Br2 N5 O12 P3 | CCN(CC)c1c.... |
9 | 4BRH | - | TMV | C12 H21 N4 O8 P S V | Cc1c(sc[n+.... |
10 | 4BRN | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
11 | 4BRC | - | AU1 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
12 | 4BRE | - | 50T | C10 H17 N5 O11 P V | c1nc(c2c(n.... |
13 | 4BRK | - | UNP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
14 | 4BRD | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
15 | 3AAR | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4BRA | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
2 | 4BR7 | - | AU1 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
3 | 4BRI | - | UNP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
4 | 4BRL | - | GMV | C10 H17 N5 O12 P V | c1nc2c(n1[.... |
5 | 4BRQ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
6 | 4BRG | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
7 | 4BRF | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
8 | 3AAQ | Ki = 0.5 mM | ARU | C15 H24 Br2 N5 O12 P3 | CCN(CC)c1c.... |
9 | 4BRH | - | TMV | C12 H21 N4 O8 P S V | Cc1c(sc[n+.... |
10 | 4BRN | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
11 | 4BRC | - | AU1 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
12 | 4BRE | - | 50T | C10 H17 N5 O11 P V | c1nc(c2c(n.... |
13 | 4BRK | - | UNP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
14 | 4BRD | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
15 | 3AAR | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GMV | 1 | 1 |
2 | GP3 | 0.802469 | 0.948718 |
3 | GDP | 0.792683 | 0.973684 |
4 | GNH | 0.783133 | 0.961039 |
5 | 5GP | 0.775 | 0.960526 |
6 | G | 0.775 | 0.960526 |
7 | GSP | 0.767442 | 0.925 |
8 | GTP | 0.764706 | 0.973684 |
9 | G1R | 0.755814 | 0.961039 |
10 | GCP | 0.755814 | 0.948718 |
11 | GNP | 0.747126 | 0.948718 |
12 | 9GM | 0.747126 | 0.948718 |
13 | GP2 | 0.729412 | 0.936709 |
14 | G2R | 0.706522 | 0.936709 |
15 | GPG | 0.698925 | 0.936709 |
16 | GAV | 0.692308 | 0.936709 |
17 | G2P | 0.688889 | 0.936709 |
18 | ALF 5GP | 0.685393 | 0.890244 |
19 | GFB | 0.680412 | 0.936709 |
20 | GDR | 0.680412 | 0.936709 |
21 | YGP | 0.677083 | 0.879518 |
22 | GDD | 0.670103 | 0.936709 |
23 | GDC | 0.670103 | 0.936709 |
24 | Y9Z | 0.670103 | 0.880952 |
25 | GKE | 0.670103 | 0.936709 |
26 | GTG | 0.663265 | 0.91358 |
27 | G3A | 0.656566 | 0.948718 |
28 | 6CK | 0.656566 | 0.91358 |
29 | GDX | 0.653465 | 0.948718 |
30 | G5P | 0.65 | 0.948718 |
31 | GKD | 0.643564 | 0.936709 |
32 | JB2 | 0.643564 | 0.936709 |
33 | GDP ALF | 0.642105 | 0.890244 |
34 | ALF GDP | 0.642105 | 0.890244 |
35 | GDP AF3 | 0.642105 | 0.890244 |
36 | GMP | 0.6375 | 0.857143 |
37 | GPD | 0.637255 | 0.902439 |
38 | JB3 | 0.607477 | 0.925 |
39 | U2G | 0.601852 | 0.91358 |
40 | NGD | 0.601852 | 0.936709 |
41 | FEG | 0.601852 | 0.858824 |
42 | G G | 0.598039 | 0.924051 |
43 | ZGP | 0.59633 | 0.848837 |
44 | CG2 | 0.590909 | 0.91358 |
45 | GDP 7MG | 0.586538 | 0.888889 |
46 | 2MD | 0.585586 | 0.870588 |
47 | CAG | 0.584071 | 0.860465 |
48 | MGD | 0.584071 | 0.870588 |
49 | G3D | 0.583333 | 0.960526 |
50 | MD1 | 0.577586 | 0.870588 |
51 | 3GP | 0.573034 | 0.922078 |
52 | G4P | 0.571429 | 0.960526 |
53 | 0O2 | 0.564356 | 0.960526 |
54 | FE9 | 0.555556 | 0.778947 |
55 | TPG | 0.554622 | 0.822222 |
56 | PGD | 0.550847 | 0.902439 |
57 | DBG | 0.541667 | 0.925 |
58 | 2GP | 0.538462 | 0.935065 |
59 | 50T | 0.537634 | 0.909091 |
60 | GCP G | 0.528846 | 0.897436 |
61 | A G | 0.525862 | 0.911392 |
62 | U A G G | 0.521368 | 0.911392 |
63 | GH3 | 0.514852 | 0.948052 |
64 | G A A A | 0.512821 | 0.9 |
65 | GPX | 0.504854 | 0.922078 |
66 | PGD O | 0.5 | 0.831461 |
67 | G4M | 0.5 | 0.860465 |
68 | DGI | 0.5 | 0.9 |
69 | DGT | 0.49505 | 0.9 |
70 | IDP | 0.494845 | 0.947368 |
71 | P2G | 0.494737 | 0.860759 |
72 | G1R G1R | 0.491935 | 0.901235 |
73 | BGO | 0.491379 | 0.901235 |
74 | P1G | 0.484536 | 0.85 |
75 | DGP | 0.484211 | 0.8875 |
76 | DG | 0.484211 | 0.8875 |
77 | GGM | 0.478992 | 0.879518 |
78 | AKW | 0.478632 | 0.869048 |
79 | R5I | 0.475248 | 0.922078 |
80 | R7I | 0.475248 | 0.922078 |
81 | G U | 0.474576 | 0.878049 |
82 | IMP | 0.473684 | 0.934211 |
83 | G1G | 0.471545 | 0.902439 |
84 | GPC | 0.467213 | 0.858824 |
85 | G C | 0.466667 | 0.878049 |
86 | MGP | 0.460784 | 0.936709 |
87 | 6G0 | 0.456311 | 0.936709 |
88 | G7M | 0.453608 | 0.924051 |
89 | G G G RPC | 0.442623 | 0.853659 |
90 | APC G U | 0.44 | 0.864198 |
91 | SGP | 0.434343 | 0.807229 |
92 | G G G C | 0.433071 | 0.890244 |
93 | 35G | 0.431373 | 0.909091 |
94 | C2E | 0.431373 | 0.897436 |
95 | PCG | 0.431373 | 0.909091 |
96 | G2Q | 0.431193 | 0.936709 |
97 | GTA | 0.431034 | 0.91358 |
98 | A G C C | 0.429688 | 0.888889 |
99 | 5GP 5GP | 0.427184 | 0.860759 |
100 | G C C C | 0.416667 | 0.901235 |
101 | G U34 | 0.414634 | 0.86747 |
102 | A2D | 0.412371 | 0.871795 |
103 | DG DG | 0.410714 | 0.845238 |
104 | AT4 | 0.41 | 0.8625 |
105 | UCG | 0.409091 | 0.888889 |
106 | ADX | 0.405941 | 0.790698 |
107 | CA0 | 0.405941 | 0.873418 |
108 | BA3 | 0.40404 | 0.871795 |
109 | A G U | 0.4 | 0.86747 |
110 | ADP | 0.4 | 0.896104 |
111 | AP5 | 0.4 | 0.871795 |
112 | ANP | 0.4 | 0.873418 |
113 | MGQ | 0.4 | 0.9125 |
114 | B4P | 0.4 | 0.871795 |
This union binding pocket(no: 1) in the query (biounit: 3aaq.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KP6 | SAL | None |
2 | 4CP8 | MLI | 1.13314 |
3 | 5O22 | C3R | 1.38408 |
4 | 4GNI | ATP | 1.41643 |
5 | 4XDA | ADP | 1.61812 |
6 | 5SXS | NIZ | 1.69972 |
7 | 1SJD | NPG | 1.69972 |
8 | 6ASY | ATP | 1.69972 |
9 | 2OFW | ADX | 1.92308 |
10 | 2BUP | ADP | 1.983 |
11 | 2BUP | ATP | 1.983 |
12 | 4MO4 | ACP | 1.983 |
13 | 5FPE | 3TR | 1.983 |
14 | 4WZ6 | ATP | 2.06897 |
15 | 3EXS | 5RP | 2.26244 |
16 | 6APL | C5P | 2.26629 |
17 | 5HTX | ADP | 2.26629 |
18 | 4L9Z | OXL | 2.35988 |
19 | 1M7G | AV2 | 2.36967 |
20 | 1RYO | OXL | 2.44648 |
21 | 4BGB | ADP | 2.46154 |
22 | 2QXL | ATP | 2.54958 |
23 | 4YJ1 | ADP | 2.54958 |
24 | 2AWN | ADP | 2.54958 |
25 | 3QFU | ADP | 2.54958 |
26 | 5LY3 | ADP | 2.54958 |
27 | 4CZG | ADP | 2.58621 |
28 | 4CZG | QH3 | 2.58621 |
29 | 2PZE | ATP | 2.62009 |
30 | 4EHQ | GBL | 2.7027 |
31 | 3G4Q | MCH | 2.73973 |
32 | 5XQL | C2E | 2.74914 |
33 | 2O1V | ADP | 2.83286 |
34 | 1NW4 | IMH | 2.89855 |
35 | 5DG2 | GAL GLC | 2.96296 |
36 | 4DE2 | DN3 | 3.04183 |
37 | 4DE3 | DN8 | 3.04183 |
38 | 2YMZ | LAT | 3.07692 |
39 | 5EOU | ATP | 3.11615 |
40 | 1IGW | PYR | 3.11615 |
41 | 4UP3 | NDP | 3.18471 |
42 | 3NHB | ADP | 3.26797 |
43 | 1YYE | 196 | 3.35821 |
44 | 4RUS | NAG | 3.36134 |
45 | 3TDC | 0EU | 3.39943 |
46 | 5EXW | 7DT | 3.39943 |
47 | 5OBU | ANP | 3.39943 |
48 | 5OBY | ANP | 3.39943 |
49 | 6EOF | ADP | 3.39943 |
50 | 5FXD | H7Y | 3.39943 |
51 | 3IT6 | ORN | 3.51759 |
52 | 5CSS | G3P | 3.53982 |
53 | 5HV7 | RBL | 3.68272 |
54 | 3WQT | ANP | 3.68272 |
55 | 4GYS | MLI | 3.68272 |
56 | 6E1Q | CFA | 3.68272 |
57 | 3VSV | XYP | 3.68272 |
58 | 1ZEI | CRS | 3.77358 |
59 | 1G55 | SAH | 3.79009 |
60 | 3ACC | 5GP | 3.8674 |
61 | 4CBU | ATP | 3.93701 |
62 | 4CBX | ATP | 3.96601 |
63 | 3CIP | ATP | 3.96601 |
64 | 4TVD | BGC | 3.96601 |
65 | 4EFH | ADP | 3.96601 |
66 | 5OSW | DIU | 3.96601 |
67 | 1K0E | TRP | 3.96601 |
68 | 2E2P | ADP | 4.01338 |
69 | 3BFV | ADP | 4.05904 |
70 | 3E3U | NVC | 4.06091 |
71 | 2EB5 | OXL | 4.11985 |
72 | 2YCH | ATP | 4.24929 |
73 | 4B1W | ATP | 4.24929 |
74 | 5YPU | ATP | 4.24929 |
75 | 3MN5 | ATP | 4.24929 |
76 | 4PKG | ATP | 4.24929 |
77 | 4PL8 | ATP | 4.24929 |
78 | 3U9Z | ADP | 4.24929 |
79 | 4B1V | ATP | 4.24929 |
80 | 2FF6 | ATP | 4.24929 |
81 | 4B1X | ATP | 4.24929 |
82 | 2FF3 | ATP | 4.24929 |
83 | 1SQK | ADP | 4.24929 |
84 | 2GKS | ADP | 4.24929 |
85 | 2YIP | YIO | 4.34783 |
86 | 2O66 | FLC | 4.44444 |
87 | 3WXL | ADP | 4.53258 |
88 | 4A2B | AGS | 4.53258 |
89 | 4A2A | ATP | 4.53258 |
90 | 4Z94 | ATP | 4.60123 |
91 | 4PKI | ATP | 4.62963 |
92 | 4B9Q | ATP | 4.81586 |
93 | 5N26 | CPT | 4.94506 |
94 | 5W7B | MYR | 4.96454 |
95 | 4JNE | ATP | 5.09915 |
96 | 1KXP | ATP | 5.09915 |
97 | 1J78 | OLA | 5.09915 |
98 | 4ZLU | 4PW | 5.09915 |
99 | 4ZLU | ADP | 5.09915 |
100 | 1A78 | TDG | 5.22388 |
101 | 3P7G | MAN | 5.47945 |
102 | 6EWZ | APC | 5.48523 |
103 | 5ZZA | ATP | 5.78512 |
104 | 1C1L | GAL BGC | 5.83942 |
105 | 3O01 | DXC | 5.84416 |
106 | 2VWA | PTY | 5.94059 |
107 | 5LX9 | OLB | 5.94901 |
108 | 3CTL | S6P | 6.06061 |
109 | 5TH5 | MET | 6.08365 |
110 | 4IVN | BMX | 6.11511 |
111 | 3LDQ | 3P1 | 6.14035 |
112 | 3SAO | DBH | 6.25 |
113 | 4FE2 | ADP | 6.27451 |
114 | 4USI | ATP | 6.49351 |
115 | 3WMX | THR | 6.51558 |
116 | 2NUO | BGC | 6.55738 |
117 | 2NU5 | NAG | 6.55738 |
118 | 2GUD | BMA | 6.55738 |
119 | 2GUD | MAN | 6.55738 |
120 | 2HYR | BGC GLC | 6.55738 |
121 | 2GUC | MAN | 6.55738 |
122 | 5ZZB | ATP | 6.61765 |
123 | 3WUD | GLC GAL | 6.61765 |
124 | 3MN6 | ATP | 6.79887 |
125 | 3MN7 | ATP | 6.79887 |
126 | 3MN9 | ATP | 6.79887 |
127 | 1YAG | ATP | 7.08215 |
128 | 4HDK | 13X | 7.47126 |
129 | 3U4L | ATP | 7.85714 |
130 | 2PAV | ATP | 7.91367 |
131 | 3NOJ | PYR | 7.98319 |
132 | 1U25 | IHS | 8.01187 |
133 | 2D0O | ADP | 8.2153 |
134 | 3B5J | 12D | 8.64198 |
135 | 2UYT | ADP | 8.78187 |
136 | 2UYT | LRH | 8.78187 |
137 | 5YEE | ATP | 8.82353 |
138 | 6BVM | EBV | 8.98204 |
139 | 2Q97 | ATP | 9.30233 |
140 | 43CA | NPO | 9.40171 |
141 | 5ZI9 | FLC | 9.61539 |
142 | 5LJW | ANP | 9.79827 |
143 | 3VV1 | GAL FUC | 10 |
144 | 2VOH | CIT | 10.1911 |
145 | 2D1K | ATP | 10.3846 |
146 | 2A3Z | ATP | 10.3846 |
147 | 2A42 | ATP | 10.3846 |
148 | 4JLS | 3ZE | 10.5263 |
149 | 2WOR | 2AN | 11 |
150 | 5C9J | DAO | 11.1111 |
151 | 1YRO | UDP | 11.3821 |
152 | 2PBD | ATP | 11.6279 |
153 | 2QWO | ADP | 11.9565 |
154 | 3VY6 | BGC BGC | 12.0567 |
155 | 3WUR | O4B | 12.2807 |
156 | 4EHU | ANP | 12.6812 |
157 | 3SJH | ATP | 12.963 |
158 | 5BWD | FUM | 13.3333 |
159 | 2Y69 | CHD | 13.5135 |
160 | 3ZXE | PGZ | 13.5338 |
161 | 4A59 | AMP | 13.5977 |
162 | 5Z84 | CHD | 13.6986 |
163 | 6MDE | MEV | 17.8218 |
164 | 2A40 | ATP | 21.875 |
165 | 2V51 | ATP | 21.875 |
166 | 2ZGY | GDP | 23.125 |
167 | 4A62 | ANP | 23.125 |
168 | 1LNX | URI | 23.4568 |
169 | 6GNO | XDI | 23.7037 |