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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 280 families. | |||||
1 | 2GQ9 | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
2 | 2GQ8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
3 | 2GOU | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
4 | 2GQA | - | 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 2 families. | |||||
1 | 1H60 | Kd = 20 uM | STR | C21 H30 O2 | CC(=O)[C@H.... |
2 | 3P7Y | - | P7Y | C8 H7 N O3 | c1ccc(c(c1.... |
3 | 1H50 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
4 | 3P67 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
5 | 3KFT | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
6 | 1VYP | Kd = 0.07 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
7 | 3P74 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
8 | 1GVQ | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
9 | 5LGX | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
10 | 2ABA | Kd = 0.7 uM | STR | C21 H30 O2 | CC(=O)[C@H.... |
11 | 1VYS | Kd = 0.24 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
12 | 1GVO | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
13 | 3P81 | - | P81 | C8 H7 N O3 | c1cc(ccc1/.... |
14 | 5LGZ | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
15 | 3P62 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
16 | 3P82 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
17 | 1GVR | - | TNL | C7 H5 N3 O6 | Cc1c(cc(cc.... |
18 | 1H63 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
19 | 1H62 | Kd = 17 uM | ANB | C19 H24 O2 | C[C@]12CC[.... |
20 | 1GVS | - | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
21 | 1H61 | Kd = 13 uM | PDN | C21 H26 O5 | C[C@]12CC(.... |
22 | 3P80 | - | P80 | C8 H7 N O3 | c1cc(cc(c1.... |
23 | 2ABB | - | IPA | C3 H8 O | CC(C)O |
24 | 1VYR | Kd = 5.4 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
25 | 1H51 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
26 | 2GQ9 | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
27 | 2GQ8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
28 | 2GOU | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
29 | 2GQA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
30 | 2HS8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
31 | 2HS6 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
32 | 3HGO | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
33 | 2HSA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
34 | 3HGS | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
35 | 1OYB | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
36 | 1OYC | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
37 | 1BWK | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
38 | 1OYA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
39 | 4M5P | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
40 | 4TMB | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
41 | 4TMC | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
42 | 1ICS | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
43 | 3HGR | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
44 | 1ICP | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
45 | 1ICQ | - | OPD | C18 H28 O3 | CCC=CC[C@@.... |
46 | 3ATY | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
47 | 3ATZ | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
48 | 1Q45 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
49 | 2Q3O | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
50 | 2R14 | Kd = 0.63 mM | TXD | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
51 | 3GX9 | - | TXD | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
52 | 1GWJ | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
53 | 1VJI | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
54 | 2Q3R | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
55 | 4JIQ | Kd = 0.73 mM | 1L5 | C9 H9 N O2 | C/C(=CN(=O.... |
56 | 4JIP | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
57 | 4JIC | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
58 | 5N6G | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
59 | 4QNW | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
60 | 4RNX | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
61 | 4RNV | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
62 | 4RNW | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
63 | 4A3U | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | RS3 | 0.571429 | 0.831169 |
4 | FAD | 0.543307 | 0.876543 |
5 | FAS | 0.543307 | 0.876543 |
6 | FAE | 0.539062 | 0.865854 |
7 | LFN | 0.475 | 0.643836 |
8 | C3F | 0.473684 | 0.74359 |
9 | CF4 | 0.463918 | 0.734177 |
10 | FAY | 0.446043 | 0.864198 |
11 | FNR | 0.444444 | 0.909091 |
12 | RFL | 0.442857 | 0.845238 |
13 | 4LS | 0.411215 | 0.875 |
14 | 1VY | 0.406593 | 0.769231 |
15 | DLZ | 0.404494 | 0.782051 |
This union binding pocket(no: 1) in the query (biounit: 2gou.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1WLJ | U5P | None |
2 | 4CQK | PIO | None |
3 | 2BOS | GLA GAL GLC | None |
4 | 2BOS | GLA GAL | None |
5 | 2QCD | U5P | 1.15385 |
6 | 3OIX | FMN | 1.44928 |
7 | 4L9Z | OXL | 1.47493 |
8 | 2HBL | AMP | 1.64384 |
9 | 3PD6 | PMP | 1.64384 |
10 | 4IGH | ORO | 1.88172 |
11 | 4IGH | FMN | 1.88172 |
12 | 4IGH | 1EA | 1.88172 |
13 | 1TV5 | FMN | 1.91781 |
14 | 4ORM | 2V6 | 1.91781 |
15 | 4ORM | FMN | 1.91781 |
16 | 4ORM | ORO | 1.91781 |
17 | 1UA4 | BGC | 1.91781 |
18 | 1UA4 | GLC | 1.91781 |
19 | 4N02 | FNR | 1.96078 |
20 | 1F76 | FMN | 2.08333 |
21 | 2Z6J | FMN | 2.10843 |
22 | 5LV1 | 78T | 2.14286 |
23 | 3BW2 | FMN | 2.19178 |
24 | 3CV2 | OXL | 2.19178 |
25 | 5CX6 | CDP | 2.19178 |
26 | 4K10 | NI9 | 2.20994 |
27 | 1AL8 | FMN | 2.22841 |
28 | 1AL8 | DHP | 2.22841 |
29 | 5GVH | FMN | 2.2293 |
30 | 3B0P | FMN | 2.28571 |
31 | 3NZ1 | 3NY | 2.29885 |
32 | 3MJY | IJZ | 2.31214 |
33 | 3MJY | FMN | 2.31214 |
34 | 1RZM | E4P | 2.36686 |
35 | 4CNO | 9PY | 2.38095 |
36 | 5EYW | PGA | 2.40964 |
37 | 3B6O | TMP | 2.42915 |
38 | 2RDT | FMN | 2.46575 |
39 | 2RDT | 2RD | 2.46575 |
40 | 2GEK | GDP | 2.46575 |
41 | 1O68 | KIV | 2.54545 |
42 | 1HSR | BHO | 2.61628 |
43 | 3EXS | 5RP | 2.71493 |
44 | 2FLI | DX5 | 2.72727 |
45 | 4Q4K | FMN | 2.80112 |
46 | 4JEJ | 1GP | 2.86885 |
47 | 5KIQ | SIA GAL NAG FUC | 3.04569 |
48 | 2GJN | NIS | 3.04878 |
49 | 2GJN | FMN | 3.04878 |
50 | 6BMN | PAP | 3.05085 |
51 | 3W6X | HZP | 3.05677 |
52 | 3UWV | 2PG | 3.06513 |
53 | 4J51 | N75 | 3.06748 |
54 | 5CSS | G3P | 3.09735 |
55 | 1TB3 | FMN | 3.125 |
56 | 2P3V | SRT | 3.125 |
57 | 5N0L | ILE | 3.14465 |
58 | 3QH2 | 3NM | 3.16742 |
59 | 1OVD | ORO | 3.21543 |
60 | 1OVD | FMN | 3.21543 |
61 | 5EY0 | ILE | 3.28467 |
62 | 4TVD | BGC | 3.28767 |
63 | 2Z6I | FMN | 3.28767 |
64 | 5O0J | GLC | 3.28767 |
65 | 1TIQ | COA | 3.33333 |
66 | 4UTU | LRY | 3.49345 |
67 | 4UTW | RFW | 3.49345 |
68 | 2QLU | ADE | 3.50318 |
69 | 5YRI | GLC GLC | 3.52113 |
70 | 5YRJ | BGC GLC | 3.52113 |
71 | 5YRF | GLC GLC | 3.52113 |
72 | 5YRG | BGC GLC | 3.52113 |
73 | 5YRL | GLC GLC | 3.52113 |
74 | 3C3N | FMN | 3.52564 |
75 | 6BKA | FMN | 3.56164 |
76 | 1W55 | GPP | 3.56164 |
77 | 4YMZ | 13P | 3.58566 |
78 | 1QDS | PGA | 3.58566 |
79 | 2YPI | PGA | 3.64372 |
80 | 3LRE | ADP | 3.66197 |
81 | 1HGX | 5GP | 3.82514 |
82 | 2Z9V | PXM | 3.83562 |
83 | 3R4S | SLB | 3.83562 |
84 | 2BTM | PGA | 3.96825 |
85 | 4A91 | GLU | 4.02685 |
86 | 4K79 | GAL A2G | 4.09091 |
87 | 5AHN | IMP | 4.10959 |
88 | 3VSV | XYS | 4.10959 |
89 | 1MID | LAP | 4.3956 |
90 | 1FDJ | 13P | 4.40771 |
91 | 3VKC | FPQ | 4.54545 |
92 | 1P4C | FMN | 4.93151 |
93 | 6BFG | FMN | 4.93151 |
94 | 3QX9 | ATP | 5.07246 |
95 | 1Q6O | LG6 | 5.09259 |
96 | 4FAI | PBD | 5.15152 |
97 | 3JQ7 | DX2 | 5.20833 |
98 | 3BMO | AX4 | 5.20833 |
99 | 3BMQ | AX5 | 5.20833 |
100 | 3TAO | PGH | 5.24345 |
101 | 5T96 | 79J | 5.26316 |
102 | 2ZRU | FMN | 5.47945 |
103 | 2FPU | HSO | 5.68182 |
104 | 3VOZ | 04A | 5.71429 |
105 | 1OFD | FMN | 5.75342 |
106 | 1OFD | AKG | 5.75342 |
107 | 1OX5 | 1PR | 5.75342 |
108 | 4WZH | FMN | 5.76369 |
109 | 3W9Z | FMN | 5.90062 |
110 | 4I9A | NCN | 5.90278 |
111 | 4P86 | 5GP | 6.01093 |
112 | 3GD8 | GOL | 6.27803 |
113 | 5XFV | FMN | 6.28743 |
114 | 3MKK | GLC BGC | 6.30137 |
115 | 1SW0 | PGA | 6.45161 |
116 | 1KBI | PYR | 6.57534 |
117 | 1KBI | FMN | 6.57534 |
118 | 1KBJ | FMN | 6.57534 |
119 | 5TCI | MLI | 6.57534 |
120 | 1OYF | MHN | 6.61157 |
121 | 1GTE | FMN | 6.84932 |
122 | 1GTE | IUR | 6.84932 |
123 | 6DVH | FMN | 7.12329 |
124 | 2HYR | BGC GLC | 7.37705 |
125 | 2GUC | MAN | 7.37705 |
126 | 2GUD | BMA | 7.37705 |
127 | 2GUD | MAN | 7.37705 |
128 | 2NU5 | NAG | 7.37705 |
129 | 2HYQ | MAN MAN | 7.37705 |
130 | 6EOM | ALA LYS | 7.39726 |
131 | 4URS | C2E | 7.44681 |
132 | 2IDO | TMP | 7.52688 |
133 | 5NBW | 8SK | 7.65766 |
134 | 1LYX | PGA | 7.66129 |
135 | 2R2N | KYN | 7.94521 |
136 | 5H9O | GLC | 7.95455 |
137 | 1M3U | KPL | 8.33333 |
138 | 3E3U | NVC | 8.62944 |
139 | 2OFW | ADX | 8.65385 |
140 | 1UJP | CIT | 8.85609 |
141 | 3UEC | ALA ARG TPO LYS | 8.90411 |
142 | 1D8C | GLV | 9.0411 |
143 | 1TRD | PGH | 9.2 |
144 | 2NLI | FMN | 9.31507 |
145 | 2NLI | LAC | 9.31507 |
146 | 1UUO | ORO | 9.31507 |
147 | 1UUO | FMN | 9.31507 |
148 | 1UUO | BRF | 9.31507 |
149 | 6D5V | FVY | 9.58084 |
150 | 5VIT | MLI | 9.7561 |
151 | 4BI7 | PGA | 10.1167 |
152 | 1FUT | 2GP | 10.3774 |
153 | 5W3Y | ACO | 11.3636 |
154 | 4XP7 | FNR | 11.5607 |
155 | 4LZB | URA | 11.7647 |
156 | 2F6U | CIT | 11.9658 |
157 | 4NAE | 1GP | 12.8889 |
158 | 1EP2 | ORO | 13.7931 |
159 | 1EP2 | FMN | 13.7931 |
160 | 6BVE | PGA | 13.8776 |
161 | 5IUC | SIA GAL A2G | 14.1732 |
162 | 4F9U | PBD | 14.4231 |
163 | 2QQC | AG2 | 20.7547 |
164 | 1VKF | CIT | 21.2766 |
165 | 1DQX | BMP | 22.4719 |
166 | 5OCS | FMN | 30.6849 |
167 | 2H8Z | 8CM | 43.454 |
168 | 2H8Z | FMN | 43.454 |
169 | 1DJN | FMN | 44.9315 |
170 | 3KRU | FMN | 45.7726 |
171 | 1PS9 | FMN | 46.8493 |
172 | 3HF3 | FMN | 47.2779 |