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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 1 families. | |||||
1 | 2VBU | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
2 | 2VBV | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2VBU | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
2 | 2VBV | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CDP | 1 | 1 |
2 | CTP | 0.895522 | 1 |
3 | HF4 | 0.895522 | 1 |
4 | CAR | 0.787879 | 0.985507 |
5 | C | 0.787879 | 0.985507 |
6 | C5P | 0.787879 | 0.985507 |
7 | 7XL | 0.77027 | 0.944444 |
8 | C2G | 0.74026 | 0.957747 |
9 | CDC | 0.725 | 0.82716 |
10 | C5G | 0.707317 | 0.944444 |
11 | CDM | 0.695122 | 0.894737 |
12 | CXY | 0.678571 | 0.944444 |
13 | CTN | 0.636364 | 0.857143 |
14 | AR3 | 0.636364 | 0.857143 |
15 | C C C C | 0.623529 | 0.916667 |
16 | 1AA | 0.619565 | 0.906667 |
17 | C C | 0.607143 | 0.929577 |
18 | UDP | 0.605263 | 0.942029 |
19 | I5A | 0.602941 | 0.816901 |
20 | YYY | 0.582278 | 0.90411 |
21 | GCQ | 0.560976 | 0.90411 |
22 | C3P | 0.56 | 0.942857 |
23 | MCN | 0.557692 | 0.819277 |
24 | PMT | 0.554455 | 0.85 |
25 | 91P | 0.553398 | 0.851852 |
26 | UTP | 0.54321 | 0.942029 |
27 | 2AA | 0.542857 | 0.693878 |
28 | 16B | 0.538462 | 0.917808 |
29 | CSV | 0.536842 | 0.905405 |
30 | CSQ | 0.536842 | 0.905405 |
31 | DCP | 0.535714 | 0.90411 |
32 | GTF | 0.523256 | 0.90411 |
33 | C2P | 0.519481 | 0.957143 |
34 | PCD | 0.517857 | 0.781609 |
35 | FN5 | 0.509434 | 0.871795 |
36 | GPC | 0.509091 | 0.819277 |
37 | CSF | 0.504587 | 0.871795 |
38 | DKZ | 0.5 | 0.746667 |
39 | UNP | 0.488372 | 0.915493 |
40 | TKW | 0.4875 | 0.971429 |
41 | G C | 0.481818 | 0.8375 |
42 | 5GW | 0.477778 | 0.890411 |
43 | 5HM | 0.47561 | 0.958333 |
44 | A C A C | 0.464912 | 0.835443 |
45 | DC | 0.463415 | 0.890411 |
46 | DCM | 0.463415 | 0.890411 |
47 | U A C C | 0.452174 | 0.846154 |
48 | UPP | 0.451613 | 0.888889 |
49 | UDH | 0.451613 | 0.844156 |
50 | G8D | 0.450549 | 0.907895 |
51 | U | 0.45 | 0.927536 |
52 | U5P | 0.45 | 0.927536 |
53 | C5P SIA | 0.447368 | 0.893333 |
54 | URM | 0.446809 | 0.876712 |
55 | 660 | 0.446809 | 0.876712 |
56 | GDU | 0.446809 | 0.888889 |
57 | UFM | 0.446809 | 0.888889 |
58 | GUD | 0.446809 | 0.888889 |
59 | UPG | 0.446809 | 0.888889 |
60 | 8OD | 0.445652 | 0.855263 |
61 | G G G C | 0.444444 | 0.85 |
62 | UPU | 0.444444 | 0.887324 |
63 | 4GW | 0.443299 | 0.866667 |
64 | A G C C | 0.440678 | 0.848101 |
65 | DOC | 0.439024 | 0.890411 |
66 | M7G | 0.43617 | 0.829268 |
67 | UFG | 0.43299 | 0.842105 |
68 | UPF | 0.43299 | 0.842105 |
69 | U2F | 0.43299 | 0.842105 |
70 | 2KH | 0.431818 | 0.915493 |
71 | G C C C | 0.42623 | 0.860759 |
72 | CG2 | 0.421053 | 0.873418 |
73 | A U C C | 0.420635 | 0.835443 |
74 | G3N | 0.42 | 0.890411 |
75 | UDP UDP | 0.418605 | 0.885714 |
76 | UAD | 0.418367 | 0.888889 |
77 | UDX | 0.418367 | 0.888889 |
78 | 44P | 0.416667 | 0.902778 |
79 | 3UC | 0.415842 | 0.842105 |
80 | M7M | 0.412371 | 0.797619 |
81 | 8GT | 0.410526 | 0.907895 |
82 | V12 | 0.41 | 0.75 |
83 | UGB | 0.41 | 0.901408 |
84 | USQ | 0.41 | 0.780488 |
85 | UGA | 0.41 | 0.901408 |
86 | UP5 | 0.405405 | 0.857143 |
87 | GEO | 0.405063 | 0.783784 |
88 | UDM | 0.403846 | 0.864865 |
89 | H6Y | 0.402062 | 0.855263 |
90 | NVG | 0.401961 | 0.731707 |
91 | CTP C C C C | 0.4 | 0.915493 |
This union binding pocket(no: 1) in the query (biounit: 2vbu.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2IMG | MLT | None |
2 | 5M6N | 7H9 | None |
3 | 3B6C | SDN | None |
4 | 3UW5 | MAA CHG PRO 0DQ | None |
5 | 4XFR | CIT | None |
6 | 4XG0 | CIT | None |
7 | 2AK5 | ARG PRO PRO LYS PRO ARG PRO ARG | None |
8 | 2BOS | GLA GAL GLC NBU | None |
9 | 6FLZ | MMA | None |
10 | 4P86 | 5GP | None |
11 | 5C2N | NAG | None |
12 | 1H8P | PC | None |
13 | 2DT9 | THR | None |
14 | 5C9P | FUC | None |
15 | 2ALG | DAO | None |
16 | 3IWD | M2T | None |
17 | 5YRL | GLC GLC | None |
18 | 1IZC | PYR | 1.47059 |
19 | 5A96 | GTP | 2.20588 |
20 | 4U00 | ADP | 2.20588 |
21 | 5X80 | SAL | 2.20588 |
22 | 1J78 | OLA | 2.20588 |
23 | 5ZXD | ATP | 2.20588 |
24 | 1VJE | MSE | 2.20588 |
25 | 3LL9 | ADP | 2.20588 |
26 | 2RIF | AMP | 2.20588 |
27 | 3JQ8 | DX3 | 2.94118 |
28 | 2GNB | MAN | 2.94118 |
29 | 2WD7 | VGD | 2.94118 |
30 | 4B5W | PYR | 2.94118 |
31 | 3CM2 | X23 | 3.07692 |
32 | 3KIH | GDL | 3.09278 |
33 | 1Z0N | BCD | 3.125 |
34 | 5OQW | A4E | 3.14961 |
35 | 2JCB | ADP | 3.5 |
36 | 5C83 | 4YN | 3.63636 |
37 | 1YXM | ADE | 3.67647 |
38 | 5TSH | ADP | 3.67647 |
39 | 3SE5 | ANP | 3.67647 |
40 | 5X3R | 7Y3 | 3.67647 |
41 | 6GVZ | CHO | 3.67647 |
42 | 4PPF | FLC | 3.67647 |
43 | 2VSL | MAA LYS PRO PHE | 4.16667 |
44 | 1GXU | 2HP | 4.3956 |
45 | 1F28 | UMP | 4.41176 |
46 | 5GVR | LMR | 4.41176 |
47 | 5T63 | ALA ALA ALA ALA | 4.41176 |
48 | 2JBH | 5GP | 4.41176 |
49 | 4GLW | 0XT | 4.41176 |
50 | 1JI0 | ATP | 4.41176 |
51 | 3PUN | FUC GAL NDG FUC | 4.41176 |
52 | 4V1F | BQ1 | 4.65116 |
53 | 2CBZ | ATP | 5.14706 |
54 | 1TLC | DGP | 5.14706 |
55 | 1AIQ | UMP | 5.14706 |
56 | 5WXU | FLC | 5.14706 |
57 | 1TDU | DUR | 5.14706 |
58 | 1SYN | UMP | 5.14706 |
59 | 6BR8 | 6OU | 5.14706 |
60 | 4LSJ | LSJ | 5.14706 |
61 | 4ISK | UMP | 5.14706 |
62 | 1AXW | UMP | 5.14706 |
63 | 1NCE | UMP | 5.14706 |
64 | 2ZX2 | RAM | 5.14706 |
65 | 2A9W | UMP | 5.14706 |
66 | 2VVG | ADP | 5.14706 |
67 | 1DDU | DDU | 5.14706 |
68 | 5O74 | GDP | 5.14706 |
69 | 5URY | PAM | 5.14706 |
70 | 1JG0 | UMP | 5.14706 |
71 | 1ZX5 | LFR | 5.14706 |
72 | 6CDZ | UMC | 5.14706 |
73 | 1TSD | UMP | 5.14706 |
74 | 2R68 | SUP | 5.14706 |
75 | 2BHZ | MAL | 5.14706 |
76 | 4RW3 | SHV | 5.14706 |
77 | 1ZPR | UMP | 5.14706 |
78 | 2CHT | TSA | 5.51181 |
79 | 1GPM | CIT | 5.88235 |
80 | 1U3G | ADP | 5.88235 |
81 | 1TL2 | NDG | 5.88235 |
82 | 4FUA | PGH | 5.88235 |
83 | 5H4S | RAM | 5.88235 |
84 | 4CVN | ADP | 5.88235 |
85 | 1D8C | GLV | 5.88235 |
86 | 2CDN | ADP | 5.88235 |
87 | 5U32 | GDP | 5.88235 |
88 | 5TCI | MLI | 5.88235 |
89 | 1EU1 | GLC | 5.88235 |
90 | 6GW4 | CHO | 5.88235 |
91 | 3F8C | HT1 | 6.34921 |
92 | 3KIF | GDL | 6.60377 |
93 | 4WGF | HX2 | 6.61765 |
94 | 2RBK | VN4 | 6.61765 |
95 | 4EIL | UMP | 6.61765 |
96 | 1RJW | ETF | 6.61765 |
97 | 2FJK | 13P | 6.61765 |
98 | 4K6B | GLU | 6.61765 |
99 | 3SCH | TB6 | 6.61765 |
100 | 4ARE | FLC | 6.61765 |
101 | 2WOR | 2AN | 7 |
102 | 1NB9 | ADP | 7.35294 |
103 | 1NB9 | RBF | 7.35294 |
104 | 5W6Y | TRP | 7.35294 |
105 | 2PZE | ATP | 7.35294 |
106 | 4WZ6 | ATP | 7.35294 |
107 | 5Y5Q | DUT | 7.35294 |
108 | 1R0X | ATP | 7.35294 |
109 | 3A4M | ADP | 7.35294 |
110 | 3COB | ADP | 7.35294 |
111 | 2X7I | CIT | 7.35294 |
112 | 6HL7 | CP | 7.35294 |
113 | 1RRV | TYD | 7.35294 |
114 | 1N07 | ADP | 8.08823 |
115 | 3FIU | POP | 8.08823 |
116 | 3I6B | KDO | 8.08823 |
117 | 3LRE | ADP | 8.08823 |
118 | 2DPY | ADP | 8.08823 |
119 | 1N07 | FMN | 8.08823 |
120 | 1M2Z | BOG | 8.08823 |
121 | 5AZC | PGT | 8.08823 |
122 | 4NAE | 1GP | 8.08823 |
123 | 3NHB | ADP | 8.08823 |
124 | 2GUD | MAN | 8.19672 |
125 | 2GUC | MAN | 8.19672 |
126 | 2NUO | BGC | 8.19672 |
127 | 2NU5 | NAG | 8.19672 |
128 | 2HYR | BGC GLC | 8.19672 |
129 | 1JJ7 | ADP | 8.82353 |
130 | 1G6H | ADP | 8.82353 |
131 | 5YJS | SAL | 8.82353 |
132 | 6A20 | ADP | 8.82353 |
133 | 5CX8 | TG6 | 8.82353 |
134 | 3C1M | ANP | 8.82353 |
135 | 5XXS | COA | 9.09091 |
136 | 2AWN | ADP | 9.55882 |
137 | 2W58 | ADP | 9.55882 |
138 | 1RRC | ADP | 9.55882 |
139 | 1L7N | ALF | 9.55882 |
140 | 1YQT | ADP | 9.55882 |
141 | 5YV5 | ADP | 10.2941 |
142 | 1OYJ | GSH | 10.2941 |
143 | 5H2U | 1N1 | 11.0294 |
144 | 5FUI | APY | 11.3636 |
145 | 2QQD | AG2 | 11.6071 |
146 | 2PNC | CLU | 11.7647 |
147 | 5L2R | MLA | 12.5 |
148 | 1DCP | HBI | 12.5 |
149 | 3KC1 | 2T6 | 12.5 |
150 | 2FB3 | 5AD | 12.5 |
151 | 5DNK | SAH | 13.2353 |
152 | 3KPE | TM3 | 13.7255 |
153 | 3QDV | NDG | 13.9706 |
154 | 3QDW | NDG | 13.9706 |
155 | 3QDY | CBS | 13.9706 |
156 | 3QDX | CBS | 13.9706 |
157 | 1UCD | U5P | 14.7059 |
158 | 1MT1 | AG2 | 15.3846 |
159 | 2OBM | ADP | 15.4412 |
160 | 1GOJ | ADP | 15.4412 |
161 | 2D2F | ADP | 15.4412 |
162 | 1B0U | ATP | 15.4412 |
163 | 5LWY | OLB | 16.8224 |
164 | 1T5C | ADP | 16.9118 |
165 | 2AKO | ADP | 16.9118 |
166 | 5A89 | ADP | 17.6471 |
167 | 5A89 | FMN | 17.6471 |
168 | 1R6N | 434 | 17.6471 |
169 | 1EXF | GLY | 17.6471 |
170 | 4P83 | U5P | 17.6471 |
171 | 2QES | ADE | 17.6471 |
172 | 3H4S | ADP | 18.3824 |
173 | 4FRZ | ADP | 18.3824 |
174 | 2AAZ | UMP | 19.1176 |
175 | 2IU8 | PLM | 19.1176 |
176 | 2XN5 | FUN | 19.8529 |
177 | 4AG5 | ADP | 19.8529 |
178 | 5W7B | MYR | 21.3235 |
179 | 3ZIA | ADP | 22.2222 |
180 | 5NXX | 3Q7 | 39.7059 |