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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3OKA | Kd = 19 uM | GDD | C16 H25 N5 O16 P2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3OKA | Kd = 19 uM | GDD | C16 H25 N5 O16 P2 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDD | 1 | 1 |
2 | GDC | 1 | 1 |
3 | GKE | 1 | 1 |
4 | GFB | 0.804124 | 0.974359 |
5 | GDR | 0.804124 | 0.974359 |
6 | 6CK | 0.795918 | 0.95 |
7 | GDX | 0.772277 | 0.987013 |
8 | GP3 | 0.755556 | 0.961538 |
9 | GDP | 0.747253 | 0.961039 |
10 | JB2 | 0.745098 | 0.974359 |
11 | GKD | 0.745098 | 1 |
12 | GSP | 0.744681 | 0.91358 |
13 | GTP | 0.741935 | 0.961039 |
14 | GNH | 0.73913 | 0.948718 |
15 | G1R | 0.734043 | 0.974026 |
16 | JB3 | 0.719626 | 0.962025 |
17 | GPD | 0.704762 | 0.938272 |
18 | GCP | 0.697917 | 0.936709 |
19 | 5GP | 0.692308 | 0.948052 |
20 | G | 0.692308 | 0.948052 |
21 | 9GM | 0.690722 | 0.936709 |
22 | GNP | 0.690722 | 0.936709 |
23 | GPG | 0.683168 | 0.974359 |
24 | G2R | 0.673267 | 0.925 |
25 | GMV | 0.670103 | 0.936709 |
26 | G3A | 0.660377 | 0.961538 |
27 | G5P | 0.654206 | 0.961538 |
28 | GAV | 0.643564 | 0.925 |
29 | Y9Z | 0.641509 | 0.892857 |
30 | G2P | 0.64 | 0.925 |
31 | GP2 | 0.639175 | 0.925 |
32 | GTG | 0.635514 | 0.925926 |
33 | GMP | 0.625 | 0.87013 |
34 | ADQ | 0.61165 | 0.910256 |
35 | U2G | 0.608696 | 0.95 |
36 | G4M | 0.604651 | 0.916667 |
37 | ALF 5GP | 0.60396 | 0.857143 |
38 | 0O2 | 0.603774 | 0.948052 |
39 | YGP | 0.601852 | 0.891566 |
40 | G4P | 0.596154 | 0.948052 |
41 | G3D | 0.592233 | 0.948052 |
42 | ALF GDP | 0.584906 | 0.857143 |
43 | GDP AF3 | 0.584906 | 0.857143 |
44 | GDP ALF | 0.584906 | 0.857143 |
45 | CG2 | 0.584746 | 0.95 |
46 | NGD | 0.581197 | 0.949367 |
47 | 3GP | 0.56701 | 0.935065 |
48 | 2MD | 0.566667 | 0.882353 |
49 | CAG | 0.565574 | 0.872093 |
50 | G G | 0.5625 | 0.936709 |
51 | FEG | 0.554622 | 0.892857 |
52 | MGD | 0.552846 | 0.882353 |
53 | ZGP | 0.55 | 0.860465 |
54 | GDP 7MG | 0.53913 | 0.901235 |
55 | TPG | 0.539062 | 0.833333 |
56 | PGD | 0.535433 | 0.914634 |
57 | MD1 | 0.535433 | 0.882353 |
58 | 2GP | 0.535354 | 0.948052 |
59 | FE9 | 0.527559 | 0.770833 |
60 | DBG | 0.527132 | 0.9375 |
61 | A G | 0.524194 | 0.924051 |
62 | G A A A | 0.524194 | 0.936709 |
63 | U A G G | 0.52 | 0.924051 |
64 | G1R G1R | 0.515385 | 0.9375 |
65 | GH3 | 0.513761 | 0.935897 |
66 | GCP G | 0.5 | 0.886076 |
67 | DGT | 0.495413 | 0.888889 |
68 | IDP | 0.495238 | 0.935065 |
69 | GPX | 0.491071 | 0.910256 |
70 | R5I | 0.490741 | 0.935065 |
71 | R7I | 0.490741 | 0.935065 |
72 | G U | 0.488 | 0.91358 |
73 | DGI | 0.485981 | 0.888889 |
74 | G1G | 0.484615 | 0.914634 |
75 | BGO | 0.48 | 0.9375 |
76 | GPC | 0.469231 | 0.892857 |
77 | G C | 0.46875 | 0.91358 |
78 | PGD O | 0.466667 | 0.842697 |
79 | P2G | 0.466667 | 0.897436 |
80 | 2GW | 0.466102 | 0.792683 |
81 | GUD | 0.463636 | 0.8 |
82 | UFM | 0.463636 | 0.8 |
83 | MGP | 0.463636 | 0.925 |
84 | UPG | 0.463636 | 0.8 |
85 | GDU | 0.463636 | 0.8 |
86 | C5G | 0.460177 | 0.85 |
87 | JBT | 0.45977 | 0.810526 |
88 | 6G0 | 0.459459 | 0.925 |
89 | P1G | 0.457944 | 0.886076 |
90 | GGM | 0.457364 | 0.914634 |
91 | AKW | 0.456693 | 0.880952 |
92 | DAU | 0.448276 | 0.724138 |
93 | IMP | 0.447619 | 0.922078 |
94 | GTA | 0.447154 | 0.925926 |
95 | DG | 0.443396 | 0.876543 |
96 | DGP | 0.443396 | 0.876543 |
97 | G U34 | 0.44186 | 0.902439 |
98 | ADP BMA | 0.435897 | 0.886076 |
99 | APC G U | 0.432836 | 0.876543 |
100 | A2D | 0.432692 | 0.884615 |
101 | SAP | 0.427273 | 0.841463 |
102 | AGS | 0.427273 | 0.841463 |
103 | A G U | 0.424658 | 0.902439 |
104 | BA3 | 0.424528 | 0.884615 |
105 | G G G RPC | 0.424242 | 0.865854 |
106 | G2Q | 0.423729 | 0.925 |
107 | HEJ | 0.422018 | 0.884615 |
108 | ATP | 0.422018 | 0.884615 |
109 | AP5 | 0.420561 | 0.884615 |
110 | ADP | 0.420561 | 0.884615 |
111 | B4P | 0.420561 | 0.884615 |
112 | 139 | 0.419847 | 0.845238 |
113 | AQP | 0.418182 | 0.884615 |
114 | AR6 | 0.418182 | 0.884615 |
115 | APR | 0.418182 | 0.884615 |
116 | 5FA | 0.418182 | 0.884615 |
117 | AT4 | 0.416667 | 0.851852 |
118 | G7M | 0.416667 | 0.9125 |
119 | AN2 | 0.416667 | 0.873418 |
120 | G G G C | 0.416058 | 0.902439 |
121 | AD9 | 0.414414 | 0.8625 |
122 | UCG | 0.414286 | 0.901235 |
123 | A22 | 0.413793 | 0.897436 |
124 | A G C C | 0.413043 | 0.901235 |
125 | SGP | 0.412844 | 0.819277 |
126 | ITT | 0.412844 | 0.835443 |
127 | A G U U | 0.410596 | 0.902439 |
128 | ANP | 0.40708 | 0.8625 |
129 | ACQ | 0.40708 | 0.8625 |
130 | 01G | 0.406504 | 0.892857 |
131 | 1GW | 0.40625 | 0.764706 |
132 | DG DG | 0.404959 | 0.879518 |
133 | AFH | 0.404762 | 0.855422 |
134 | A4P | 0.40458 | 0.882353 |
135 | G C C C | 0.401408 | 0.91358 |
136 | M33 | 0.4 | 0.85 |
137 | ATF | 0.4 | 0.851852 |
This union binding pocket(no: 1) in the query (biounit: 3oka.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WG0 | CHD | None |
2 | 6H3O | FAD | 1.5748 |
3 | 3VHE | 42Q | 1.94986 |
4 | 4USF | 6UI | 1.97368 |
5 | 3HBN | UDP | 2.12766 |
6 | 4AG8 | AXI | 2.21519 |
7 | 3RHZ | UDP | 2.35988 |
8 | 5XVR | TRH | 2.3622 |
9 | 2J07 | FAD | 2.3622 |
10 | 2J07 | HDF | 2.3622 |
11 | 4YNU | LGC | 2.3622 |
12 | 4YNU | FAD | 2.3622 |
13 | 2QV6 | GTP | 2.3622 |
14 | 5BVE | 4VG | 2.49307 |
15 | 6CQF | F97 | 2.6936 |
16 | 4F97 | GDP | 2.88714 |
17 | 4F97 | VDO | 2.88714 |
18 | 2OFV | 242 | 2.88809 |
19 | 3GDN | MXN | 3.14961 |
20 | 2WOX | NDP | 3.14961 |
21 | 5H2U | 1N1 | 3.37079 |
22 | 6CZ3 | FLJ | 3.40909 |
23 | 1XV5 | UDP | 3.41207 |
24 | 1J39 | UPG | 3.4188 |
25 | 2WET | FAD | 3.67454 |
26 | 3SXS | PP2 | 3.73134 |
27 | 4GU5 | FAD | 3.93701 |
28 | 3KO0 | TFP | 3.9604 |
29 | 1JNR | FAD | 4 |
30 | 2I8T | GDD | 4.19162 |
31 | 4CS9 | AMP | 4.2328 |
32 | 3NW7 | LGV | 4.23453 |
33 | 6EKZ | SNP | 4.26829 |
34 | 2XK9 | XK9 | 4.34783 |
35 | 4I6G | FAD | 4.46194 |
36 | 3EKK | GS2 | 4.56026 |
37 | 4NFE | BEN | 4.64135 |
38 | 5XVS | UDP | 5.01319 |
39 | 3PP0 | 03Q | 5.02959 |
40 | 2HK5 | 1BM | 5.18518 |
41 | 3CV3 | UDP | 5.24934 |
42 | 2FFU | UDP | 5.51181 |
43 | 5HCY | 60D | 6.0423 |
44 | 5O96 | SAM | 6.12245 |
45 | 2Z49 | AMG | 6.56168 |
46 | 2Z48 | NGA | 6.56168 |
47 | 2P1O | NLA | 7.08661 |
48 | 2P1O | IHP | 7.08661 |
49 | 4UCF | GLA | 7.08661 |
50 | 3E3U | NVC | 7.1066 |
51 | 1FL2 | FAD | 7.41935 |
52 | 1F6D | UDP | 7.61155 |
53 | 2WTX | VDO | 7.80591 |
54 | 2WTX | UDP | 7.80591 |
55 | 1V47 | ADX | 8.88252 |
56 | 4X1T | UDP | 8.92388 |
57 | 1SG4 | CO8 | 9.23077 |
58 | 4ANP | 3QI | 9.52381 |
59 | 5JWC | FAD | 9.52381 |
60 | 1EM6 | NBG | 9.71129 |
61 | 3TAY | MN0 | 10.4294 |
62 | 1QM5 | PLP | 10.4987 |
63 | 3WB0 | FEG | 10.8434 |
64 | 1NLM | UD1 | 11.2637 |
65 | 1MUU | SUC | 12.5984 |
66 | 1DJL | NAP | 13.0435 |
67 | 4NES | UDP | 14.2857 |
68 | 4GJ3 | 0XP | 14.2857 |
69 | 4AT3 | LTI | 14.2857 |
70 | 2IV3 | UDP | 14.6982 |
71 | 3BEO | UDP | 16.5354 |
72 | 2JLB | UDM | 16.7979 |
73 | 6MA3 | JAJ | 19.0476 |
74 | 3NB0 | G6P | 19.0476 |
75 | 4N3A | UDP | 19.0476 |
76 | 4GYW | UDP | 19.0476 |
77 | 1VGV | UD1 | 19.0476 |
78 | 5BNW | 12V | 19.0476 |
79 | 4CNE | SAH | 19.0476 |
80 | 5NV8 | TRH | 19.0476 |
81 | 5USZ | SKE | 19.0476 |
82 | 1CS4 | FOK | 19.0476 |
83 | 1CS4 | 101 | 19.0476 |
84 | 4P5Z | Q7M | 19.0476 |
85 | 5H5F | SAM | 19.0476 |
86 | 5J6D | 6H5 | 19.0476 |
87 | 5W4W | 9WG | 19.0476 |
88 | 1RZU | ADP | 19.1601 |
89 | 2QZS | ADP | 19.4226 |
90 | 2QZS | 250 | 19.4226 |
91 | 2QZS | GLC | 19.4226 |
92 | 2XA2 | UPG | 20.4724 |
93 | 4X7R | UDP | 20.7349 |
94 | 4X7R | 3YW | 20.7349 |
95 | 4X7R | NTO | 20.7349 |
96 | 4RJD | TFP | 21.2121 |
97 | 4PQG | UDP | 23.8095 |
98 | 4JWH | SAH | 23.8095 |
99 | 4JWJ | SAH | 23.8095 |
100 | 5ENZ | UDP | 23.8095 |
101 | 1OPK | P16 | 23.8095 |
102 | 5WXK | TYD | 23.8095 |
103 | 5GZ9 | ANP | 23.8095 |
104 | 1U59 | STU | 23.8095 |
105 | 5A3B | APR | 23.8095 |
106 | 5UIU | 8CG | 23.8095 |
107 | 2IW1 | U2F | 24.147 |
108 | 4XSU | GLC | 27.8215 |
109 | 4XSU | UDP | 27.8215 |
110 | 3Q3H | UDP | 28.5714 |
111 | 5NWD | 9C8 | 28.5714 |
112 | 6EJI | UD2 | 28.5714 |
113 | 2GEK | GDP | 33.3333 |
114 | 6GNF | ADP | 33.3333 |
115 | 4CNG | SAH | 33.3333 |
116 | 3MGB | GHP 3MY 3FG GHP GHP OMY 3FG | 33.3333 |
117 | 5AX9 | 4KT | 38.0952 |
118 | 5JKG | 6LF | 42.8571 |
This union binding pocket(no: 2) in the query (biounit: 3oka.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5FBN | 5WF | 3.32103 |
2 | 5AJP | UDP | 35.2941 |